| Id | Formula | Spacegroup | Dimension | Type | Vickers hardness(GPa) | Superconducting temperature(K) | Article | |
|---|---|---|---|---|---|---|---|---|
| TiN | Pm-3m(221) | 3 | Superconductor | -- | 12.0 | Pressure-induced structural phase transformation and superconducting properties of titanium mononitride Solid State Communications |
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| BaS2 | P41212(92) | 3 | Superconductor | -- | 4.7 | Ba with Unusual Oxidation States in Ba Chalcogenides under Pressure The Journal of Physical Chemistry Letters |
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| Na3C2 | P-1(2) | 3 | Superconductor | -- | 0.2 | Superconductive Sodium Carbides with Pentagon Carbon at High Pressures The Journal of Physical Chemistry Letters |
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| NaC | Imma(74) | 3 | Superconductor | -- | 0.9 | Superconductive Sodium Carbides with Pentagon Carbon at High Pressures The Journal of Physical Chemistry Letters |
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| NaC2 | P6/mmm(191) | 3 | Superconductor | -- | 41.8 | Superconductive Sodium Carbides with Pentagon Carbon at High Pressures The Journal of Physical Chemistry Letters |
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| YN8 | P-1(2) | 3 | Superconductor | -- | 3.3 | New Members of High-Energy-Density Compounds: YN5 and YN8 Chinese Physics Letters |
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| TaAs | P21/c(14) | 3 | Superconductor | -- | 1.0 | High-pressure crystal structures of TaAs from first-principles calculations Solid State Communications |
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| tetr-W2B2 | None | 2 | Superconductor | -- | 7.8 | Novel structures of two-dimensional tungsten boride and their superconductivity Physical Chemistry Chemical Physics |
No structure in database | |
| hex-W2B2 | None | 2 | Superconductor | -- | 1.5 | Novel structures of two-dimensional tungsten boride and their superconductivity Physical Chemistry Chemical Physics |
No structure in database | |
| pmma-IrP3 | Pmma(51) | 3 | Superconductor | -- | 2.4 | Phase transition and electronic properties of Skutterudite-type IrP3 at high pressure Physical Chemistry Chemical Physics |
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| (BeCH4)4 | None | 3 | Superconductor | -- | 6.0 | Metallization and superconductivity in methane doped by beryllium at low pressure Physical Chemistry Chemical Physics |
No structure in database | |
| (BeCH4)4 | None | 3 | Superconductor | -- | 28.9 | Metallization and superconductivity in methane doped by beryllium at low pressure Physical Chemistry Chemical Physics |
No structure in database | |
| YXe | Pbam(55) | 3 | Superconductor | -- | 4.4 | Unexpected Xe Cations and Superconductivity in Y-Xe Intermediate Compounds under Pressure The Journal of Physical Chemistry C |
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| Y3Xe | Pnnm(58) | 3 | Superconductor | -- | 7.0 | Unexpected Xe Cations and Superconductivity in Y-Xe Intermediate Compounds under Pressure The Journal of Physical Chemistry C |
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| Y3Xe | I4/mcm(140) | 3 | Superconductor | -- | 5.7 | Unexpected Xe Cations and Superconductivity in Y-Xe Intermediate Compounds under Pressure The Journal of Physical Chemistry C |
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| YXe2 | I4/mmm(139) | 3 | Superconductor | -- | 0.3 | Unexpected Xe Cations and Superconductivity in Y-Xe Intermediate Compounds under Pressure The Journal of Physical Chemistry C |
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| MgB6 | C2/m(12) | 3 | Superconductor | -- | 9.5 | Pressure induced semiconductor–semimetal–superconductor transition of magnesium hexaborides Dalton Transactions |
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| YS | None | 2 | Superconductor | -- | 7.3 | Prediction of strain-induced phonon-mediated superconductivity in monolayer YS Journal of Materials Chemistry C |
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| Mo2B2 | None | 2 | Superconductor | -- | 3.9 | Prediction of phonon-mediated superconductivity in two-dimensional Mo2B2 Journal of Materials Chemistry C |
No structure in database | |
| Mo2B2 | None | 2 | Superconductor | -- | 0.2 | Prediction of phonon-mediated superconductivity in two-dimensional Mo2B2 Journal of Materials Chemistry C |
No structure in database | |
| Al(BN)6 | None | 3 | Superconductor Superhard | 22.0 | 47.0 | Hard BN Clathrate Superconductors The Journal of Physical Chemistry Letters |
No structure in database | |
| Si(BN)6 | None | 3 | Superconductor Superhard | 25.0 | 36.0 | Hard BN Clathrate Superconductors The Journal of Physical Chemistry Letters |
No structure in database | |
| Cl(BN)6 | None | 3 | Superconductor Superhard | 31.0 | 13.0 | Hard BN Clathrate Superconductors The Journal of Physical Chemistry Letters |
No structure in database | |
| P4H6 | None | 3 | Superconductor | -- | 67.0 | Stoichiometric evolutions of PH3 under high pressure: implication for high Tc superconducting hydrides NATIONAL SCIENCE REVIEW |
No structure in database | |
| BS2 | P-3m1(164) | 3 | Superconductor | -- | 21.9 | Phase diagrams and electronic properties of B-S and H-B-S systems under high pressure PHYSICAL REVIEW B |
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| YSH6 | P42/mmc(131) | 3 | Superconductor | -- | 91.0 | First-principles study of crystal structures and superconductivity of ternary YSH6 and LaSH6 at high pressures PHYSICAL REVIEW B |
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| LaSH6 | Cmcm(63) | 3 | Superconductor | -- | 35.0 | First-principles study of crystal structures and superconductivity of ternary YSH6 and LaSH6 at high pressures PHYSICAL REVIEW B |
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| CaYH12 | Fd-3m(227) | 3 | Superconductor | -- | 258.0 | Potential high- T c superconductivity in CaYH 12 under pressure PHYSICAL REVIEW B |
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| Li 2MgH16 | Fd-3m(227) | 3 | Superconductor | -- | 473.0 | Route to a Superconducting Phase above Room Temperature in Electron-Doped Hydride Compounds under High Pressure PHYSICAL REVIEW LETTERS |
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| Li6P | C2/c(15) | 3 | Electrides Superconductor | -- | 39.3 | Predicted Pressure-Induced Superconducting Transition in Electride Li6P PHYSICAL REVIEW LETTERS |
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| ScYH6 | Pm-3(200) | 3 | Superconductor | -- | 32.11 | Formation and superconducting properties of predicted ternary hydride ScYH6 under pressures INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY |
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| Si3B | C2/m(12) | 3 | Superconductor | -- | 3.6 | Novel structural phases and electrical properties of Si3B under high pressure Phys. Chem. Chem. Phys. |
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| Si3B | P21/m(11) | 3 | Superconductor Superhard | 20.0 | 5.7 | Novel structural phases and electrical properties of Si3B under high pressure Phys. Chem. Chem. Phys. |
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| MgGeH6 | Pm-3(200) | 3 | Superconductor | -- | 67.0 | Prediction of superconducting ternary hydride MgGeH6: from divergent high-pressure formation routes Phys. Chem. Chem. Phys. |
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| LiBH2 | Cmcm(63) | 3 | Superconductor | -- | 10.0 | Ab initio study of pressure–induced metallization and superconductivity in orthorhombic LiBH2 phase under ultra-high pressure Physics Letters A |
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| CeH9 | None | 3 | Superconductor | -- | 142.0 | Predicted high-temperature superconductivity in cerium hydrides at high pressures Journal of Applied Physics |
No structure in database | |
| CeH10 | None | 3 | Superconductor | -- | 168.0 | Predicted high-temperature superconductivity in cerium hydrides at high pressures Journal of Applied Physics |
No structure in database | |
| MgSiH6 | Pm-3(200) | 3 | Superconductor | -- | 63.0 | Divergent synthesis routes and superconductivity of ternary hydride MgSiH6 at high pressure Phys. Rev. B |
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| ScH4 | I4/mmm(139) | 3 | Superconductor | -- | 98.0 | Theoretical study of stability and superconductivity of ScHn (n = 4–8) at high pressure PHYSICAL REVIEW B |
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| ScH6 | Im-3m(229) | 3 | Superconductor | -- | 129.0 | Theoretical study of stability and superconductivity of ScHn (n = 4–8) at high pressure PHYSICAL REVIEW B |
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| ScH6 | Cmcm(63) | 3 | Superconductor | -- | 119.0 | Theoretical study of stability and superconductivity of ScHn (n = 4–8) at high pressure PHYSICAL REVIEW B |
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| B2CN | I-4m2(119) | 3 | Superconductor Superhard | 58.0 | 53.0 | Crystal and electronic structures of superhard B2CN : An ab initio study Solid State Communications |
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| NaFeAs | Pmmn(59) | 3 | Superconductor | -- | 25.0 | High pressure structures of '111' type iron-based superconductors predicted from first-principles Physical Chemistry Chemical Physics |
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| Cl2 | Cmce(64) | 3 | Superconductor | -- | 13.03 | Modulated structure and molecular dissociation of solid chlorine at high pressures The Journal of Chemical Physics |
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| ZrH3 | Cmcm(63) | 3 | Superconductor | -- | 11.7 | The novel structure and superconductivity of zirconium hydride Comp. Mater. Sci. |
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| NSH5 | Cmce(64) | 3 | Superconductor | -- | 49.9 | First principles study of dense and metallic nitric sulfur hydrides Communications Chemistry |
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| NSH5 | C2/m(12) | 3 | Superconductor | -- | 30.5 | First principles study of dense and metallic nitric sulfur hydrides Communications Chemistry |
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| NSH5 | P21/m(11) | 3 | Superconductor | -- | 28.3 | First principles study of dense and metallic nitric sulfur hydrides Communications Chemistry |
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| NSH5 | P21(4) | 3 | Superconductor | -- | 5.6 | First principles study of dense and metallic nitric sulfur hydrides Communications Chemistry |
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| N2SH8 | Ccc2(37) | 3 | Superconductor | -- | 4.0 | First principles study of dense and metallic nitric sulfur hydrides Communications Chemistry |
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| NS2H7 | P-1(2) | 3 | Superconductor | -- | 46.4 | First principles study of dense and metallic nitric sulfur hydrides Communications Chemistry |
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| h-CB | None | 2 | Superconductor | -- | 40.0 | High-temperature superconductivity in heavily N- or B-doped graphene PHYSICAL REVIEW B |
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| h-CN | None | 2 | Superconductor | -- | 66.8 | High-temperature superconductivity in heavily N- or B-doped graphene PHYSICAL REVIEW B |
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| GT-8 | None | 2 | Superconductor | -- | 5.2 | Three-dimensional sp2-hybridized carbons consisting of orthogonal nanoribbons of graphene and net C Physics Chemical Chemical Physics |
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| GT-16 | None | 2 | Superconductor | -- | 14.0 | Three-dimensional sp2-hybridized carbons consisting of orthogonal nanoribbons of graphene and net C Physics Chemical Chemical Physics |
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| C36 | Immm(71) | 3 | Superconductor Superhard | 69.5 | 10.7 | Orthorhombic C36: a sp2–sp3 carbon with pressure-induced metallization and superconductivity Journal of Materials Science |
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| H2I | Pmna(53) | 3 | Superconductor | -- | 3.8 | Enhancement of Tc in the atomic phase of iodine-doped hydrogen at high pressures Physics Chemical Chemical Physics |
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| H2I | R-3m(166) | 3 | Superconductor | -- | 33.0 | Enhancement of Tc in the atomic phase of iodine-doped hydrogen at high pressures Physics Chemical Chemical Physics |
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| MgVH6 | Pmn21(31) | 3 | Superconductor | -- | 27.6 | Pressure-Driven Structural Phase Transitions and Superconductivity of Ternary Hydride MgVH6 The Journal of Physical Chemistry C |
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| H4I | P6/mmm(191) | 3 | Superconductor | -- | 17.5 | Enhancement of Tc in the atomic phase of iodine-doped hydrogen at high pressures Physics Chemical Chemical Physics |
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| Li5C | P6/mmm(191) | 3 | Electrides Superconductor | -- | 48.3 | Predicted Superconductivity in the Electride Li5C The Journal of Physical Chemistry C |
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| Li3Ar | P4/mmm(123) | 3 | Superconductor | -- | 17.6 | Stable Lithium Argon compounds under high pressure Scientific Reports |
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| CS2 | P21/m(11) | 3 | Superconductor | -- | 20.0 | Structures of the metallic and superconducting high pressure phases of solid CS2 Scientific Reports |
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| CS2 | P21/m(11) | 3 | Superconductor | -- | 13.0 | Structures of the metallic and superconducting high pressure phases of solid CS2 Scientific Reports |
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| H3Se | Im-3m(229) | 3 | Superconductor | -- | 110.0 | Phase Diagram and High- Temperature Superconductivity of Compressed Selenium Hydrides Scientific Reports |
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| HSe | P4/nmm(129) | 3 | Superconductor | -- | 40.0 | Phase Diagram and High- Temperature Superconductivity of Compressed Selenium Hydrides Scientific Reports |
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| PbH4(H2)2 | C2/m(12) | 3 | Superconductor | -- | 107.0 | Pressure-induced superconductivity in H2-containing hydride PbH4(H2)2 Scientific Reports |
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| MgC2 | C2/m(12) | 3 | Superconductor | -- | 7.1 | Evolution of crystal and electronic structures of magnesium dicarbide at high pressure Scientific Reports |
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| TbH | Fm-3m(225) | 3 | Superconductor | -- | 7.3 | Cage Structure and Near Room-Temperature Superconductivity in TbHn(n = 1−12) The Journal of Physical Chemistry C |
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| BC3 | Pmm2(25) | 3 | Superconductor Superhard | 61.9 | 23.4 | Superhard and superconductive polymorphs of diamond-like BC3 Physics Letters A |
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| BC3 | Pmma(51) | 3 | Superconductor Superhard | 351.0 | 8.8 | Superhard and superconductive polymorphs of diamond-like BC3 Physics Letters A |
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| B2CN | P3m1(156) | 3 | Superconductor Superhard | 58.0 | 53.0 | Crystal and electronic structures of superhard B2CN : An ab initio study Solid State Communications |
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| B2CN | R-3m(166) | 3 | Superconductor Superhard | 58.0 | 53.0 | Crystal and electronic structures of superhard B2CN : An ab initio study Solid State Communications |
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| HS2 | C2/m(12) | 3 | Superconductor | -- | 226.0 | High-Pressure Hydrogen Sulfide from First Principles: A Strongly Anharmonic Phonon-Mediated Superconductor Physical Review Letters |
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| TbH2 | P6/mmm(191) | 3 | Superconductor | -- | 8.06 | Cage Structure and Near Room-Temperature Superconductivity in TbHn(n = 1−12) The Journal of Physical Chemistry C |
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| TbH2 | C2/m(12) | 3 | Superconductor | -- | 2.78 | Cage Structure and Near Room-Temperature Superconductivity in TbHn(n = 1−12) The Journal of Physical Chemistry C |
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| TbH3 | Pm-3n(223) | 3 | Superconductor | -- | 6.81 | Cage Structure and Near Room-Temperature Superconductivity in TbHn(n = 1−12) The Journal of Physical Chemistry C |
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| TbH3 | Cmcm(63) | 3 | Superconductor | -- | 20.0 | Cage Structure and Near Room-Temperature Superconductivity in TbHn(n = 1−12) The Journal of Physical Chemistry C |
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| TbH4 | P1(1) | 3 | Superconductor | -- | 39.3 | Cage Structure and Near Room-Temperature Superconductivity in TbHn(n = 1−12) The Journal of Physical Chemistry C |
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| TbH4 | I4/mmm(139) | 3 | Superconductor | -- | 41.3 | Cage Structure and Near Room-Temperature Superconductivity in TbHn(n = 1−12) The Journal of Physical Chemistry C |
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| TbH5 | P-1(2) | 3 | Superconductor | -- | 79.3 | Cage Structure and Near Room-Temperature Superconductivity in TbHn(n = 1−12) The Journal of Physical Chemistry C |
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| TbH6 | Im-3m(229) | 3 | Superconductor | -- | 148.3 | Cage Structure and Near Room-Temperature Superconductivity in TbHn(n = 1−12) The Journal of Physical Chemistry C |
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| TbH9 | C2(5) | 3 | Superconductor | -- | 226.3 | Cage Structure and Near Room-Temperature Superconductivity in TbHn(n = 1−12) The Journal of Physical Chemistry C |
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| TbH10 | R-3m(166) | 3 | Superconductor | -- | 270.9 | Cage Structure and Near Room-Temperature Superconductivity in TbHn(n = 1−12) The Journal of Physical Chemistry C |
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| TbH10 | Fm-3m(225) | 3 | Superconductor | -- | 277.8 | Cage Structure and Near Room-Temperature Superconductivity in TbHn(n = 1−12) The Journal of Physical Chemistry C |
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| TbH12 | P42/nmc(137) | 3 | Superconductor | -- | 170.5 | Cage Structure and Near Room-Temperature Superconductivity in TbHn(n = 1−12) The Journal of Physical Chemistry C |
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| BP | None | 3 | Superconductor | -- | 9.4 | Pressure-induced zigzag phosphorus chain and superconductivity in boron monophosphide Scientific Reports |
No structure in database | |
| YH6 | None | 3 | Superconductor | -- | 264.0 | Pressure-stabilized superconductive yttrium hydrides Scientific Reports |
No structure in database | |
| YH4 | None | 3 | Superconductor | -- | 95.0 | Pressure-stabilized superconductive yttrium hydrides Scientific Reports |
No structure in database | |
| SiH4 | None | 3 | Superconductor | -- | 32.0 | Hydrogen segregation and its roles in structural stability and metallization: silane under pressure Scientific Reports |
No structure in database | |
| CsI3 | None | 3 | Superconductor | -- | 0.15 | Hypervalent Iodine with Linear Chain at High Pressure Scientific Reports |
No structure in database | |
| NaC6 | None | 2 | Superconductor | -- | 5.8 | 10th October 2014, Accepted 17th December 2014 DOI: 10.1039/c4nr05990e www.rsc.org/nanoscale Self-assembly of metal atoms (Na, K, Ca) on graphene† Nanoscale |
No structure in database | |
| HCl | C2/m(12) | 3 | Superconductor | -- | 20.0 | Novel Superconducting Phases of HCl and HBr under High Pressure: An Ab Initio Study Journal of Physical Chemistry C |
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| HBr | P4/nmm(129) | 3 | Superconductor | -- | 30.0 | Prediction of novel crystal structures and superconductivity of compressed HBr The Royal Society of Chemistry |
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| AlN6 | C2/m(12) | 3 | Superconductor Superhard | 43.86 | 18.9 | Pressure-induced Novel Nitrogen-Rich Aluminum Nitrides: AlN6, Al2N7 and AlN7 with Polymeric Nitrogen Chain and Ring Physical Chemistry Chemical Physics |
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| LiAuH | P4/mmm(123) | 3 | Superconductor | -- | 4.69 | Crystal structures and superconductivity of lithium and fluorine implanted gold hydrides under high pressures Physical Chemistry Chemical Physics |
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| Li6AuH | Immm(71) | 3 | Superconductor | -- | 2.79 | Crystal structures and superconductivity of lithium and fluorine implanted gold hydrides under high pressures Physical Chemistry Chemical Physics |
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| Li2Au2H | Cmmm(65) | 3 | Superconductor | -- | 0.02 | Crystal structures and superconductivity of lithium and fluorine implanted gold hydrides under high pressures Physical Chemistry Chemical Physics |
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| LiAu2H | P4/mmm(123) | 3 | Superconductor | -- | 0.06 | Crystal structures and superconductivity of lithium and fluorine implanted gold hydrides under high pressures Physical Chemistry Chemical Physics |
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| BaC2H8 | Cm(8) | 3 | Superconductor | -- | 16.2 | Phonon-Mediated Low-Pressure Superconductivity in Ternary Hydride Ba−CH4 ACS Applied Electronic Materials |
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| BaC3H12 | Amm2(38) | 3 | Superconductor | -- | 43.7 | Phonon-Mediated Low-Pressure Superconductivity in Ternary Hydride Ba−CH4 ACS Applied Electronic Materials |
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| LiP2H14 | P-1(2) | 3 | Superconductor | -- | 169.0 | Chemically Tuning Stability and Superconductivity of P?H Compounds The Journal of Physical Chemistry Letters |
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| Zr4H15 | I-43d(220) | 3 | Superconductor | -- | 4.0 | Superconducting Zirconium Polyhydrides at Moderate Pressures The Journal of Physical Chemistry Letters |
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| ZrH3 | Pm-3n(223) | 3 | Superconductor | -- | 6.4 | Superconducting Zirconium Polyhydrides at Moderate Pressures The Journal of Physical Chemistry Letters |
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| B2O | None | 2 | Superconductor | -- | 10.3 | Theoretical dissection of superconductivity in two-dimensional honeycomb borophene oxide B2O crystal with a high stability npj Computational Materials |
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| Al3S4 | I-43d(220) | 3 | Superconductor | -- | 20.0 | The exotically stoichiometric compounds in Al–S system under high pressure npj Computational Materials |
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| Al3S4 | P1(1) | 3 | Superconductor | -- | 10.0 | The exotically stoichiometric compounds in Al–S system under high pressure npj Computational Materials |
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| HfH10 | P63/mmc(194) | 3 | Superconductor | -- | 224.0 | Hydrogen Pentagraphenelike Structure Stabilized by Hafnium: A High-Temperature Conventional Superconductor PHYSICAL REVIEW LETTERS |
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| LuH10 | P63/mmc(194) | 3 | Superconductor | -- | 152.0 | Hydrogen Pentagraphenelike Structure Stabilized by Hafnium: A High-Temperature Conventional Superconductor PHYSICAL REVIEW LETTERS |
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| ScH10 | P63/mmc(194) | 3 | Superconductor | -- | 158.0 | Hydrogen Pentagraphenelike Structure Stabilized by Hafnium: A High-Temperature Conventional Superconductor PHYSICAL REVIEW LETTERS |
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| ZrH10 | P63/mmc(194) | 3 | Superconductor | -- | 220.0 | Hydrogen Pentagraphenelike Structure Stabilized by Hafnium: A High-Temperature Conventional Superconductor PHYSICAL REVIEW LETTERS |
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| CaH6 | Im-3m(229) | 3 | Superconductor | -- | 235.0 | Superconductive sodalite-like clathrate calcium hydride at high pressures Proceedings of the National Academy of the Sciences of the United States of America |
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| Ca3S | P21/m(11) | 3 | Electrides Superconductor | -- | 7.04 | Novel Superconducting Electrides in Ca–S System under High Pressures Chinese Physics Letters |
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| Ca3S | P4/mbm(127) | 3 | Superconductor | -- | 19.93 | Novel Superconducting Electrides in Ca–S System under High Pressures Chinese Physics Letters |
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| Ca2S | Pnma(62) | 3 | Electrides Superconductor | -- | 0.26 | Novel Superconducting Electrides in Ca–S System under High Pressures Chinese Physics Letters |
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| Ca2S | Cmcm(63) | 3 | Superconductor | -- | 0.78 | Novel Superconducting Electrides in Ca–S System under High Pressures Chinese Physics Letters |
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| CaS2 | Fddd(70) | 3 | Superconductor | -- | 8.33 | Novel Superconducting Electrides in Ca–S System under High Pressures Chinese Physics Letters |
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| CaS3 | Immm(71) | 3 | Superconductor | -- | 2.13 | Novel Superconducting Electrides in Ca–S System under High Pressures Chinese Physics Letters |
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| CaS4 | C2/c(15) | 3 | Superconductor | -- | 11.88 | Novel Superconducting Electrides in Ca–S System under High Pressures Chinese Physics Letters |
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| NSiH11 | None | 3 | Superconductor | -- | 110.0 | The superconductivity of N–Si–H compounds at high pressure Solid State Communications |
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| LaP2H2 | None | 3 | Superconductor | -- | 36.3 | Superconducting LaP2H2 with graphenelike phosphorus layers PHYSICAL REVIEW B |
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| LaPH6 | None | 3 | Superconductor | -- | 10.4 | Superconducting LaP2H2 with graphenelike phosphorus layers PHYSICAL REVIEW B |
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| BaI2 | None | 3 | Superconductor | -- | 1.27 | High-Pressure Structures and Superconductivity of Barium Iodide materials |
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| BaI2 | None | 3 | Superconductor | -- | 0.35 | High-Pressure Structures and Superconductivity of Barium Iodide materials |
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