Unnamed: 0 int64 | Composition string | MaterialId string | Reduced Formula string | Elements string | NSites int64 | Volume float64 | Density float64 | Point Group string | Space Group string | Space Group Number int64 | Crystal System string | Uncorrected Energy float64 | Corrected Energy float64 | Formation Energy Per Atom float64 | Decomposition Energy Per Atom float64 | Dimensionality Cheon string | Bandgap float64 | Is Train bool | Decomposition Energy Per Atom All float64 | Decomposition Energy Per Atom Relative float64 | Decomposition Energy Per Atom MP float64 | Decomposition Energy Per Atom MP OQMD float64 | Data Directory string |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
0 | Cs1S6Zr3 | 000006a8c4 | Cs(ZrS2)3 | ['S', 'Zr', 'Cs'] | 10 | 302.9202 | 3.2834 | 2/m | C2/m | 12 | monoclinic | -67.3975 | -70.4155 | -1.9058 | -0.1625 | intercalated ion | 0.0023 | true | 0 | null | -0.1631 | -0.0734 | gs://crystal-design/output/borg/improved_wy_2/1e_3_med_0_common_84_nobal/Cs1S6Zr3/0 |
1 | Al18Fe1Ho4Pd1Pt4 | 00006650ea | Ho4Al18FePdPt4 | ['Al', 'Fe', 'Pd', 'Ho', 'Pt'] | 28 | 469.8946 | 7.3787 | 2/m | C2/m | 12 | monoclinic | -145.6636 | -145.6636 | -0.785 | -0.0198 | 3D | 0.0009 | true | 0.0009 | null | -0.0198 | -0.0179 | gs://crystal-design/output/borg/round_3_wy_updated_4/1e_2_med_0_common_84_nobal/Al18Fe1Ho4Pd1Pt4/0 |
2 | Al2B24Lu8Tc2 | 00008f2ec4 | Lu4AlTcB12 | ['B', 'Al', 'Tc', 'Lu'] | 36 | 373.1385 | 8.4961 | 2/m | P2/m | 10 | monoclinic | -248.1449 | -248.1449 | -0.6517 | -0.0602 | 3D | 0.0014 | true | 0.0002 | null | -0.0602 | -0.0558 | gs://crystal-design/output/borg/round_3_4/1e_3_med_0_common_84_nobal/Al2B24Lu8Tc2/0 |
3 | B24Na1Nd2Pr1 | 0000a1b980 | NaPr(NdB12)2 | ['B', 'Na', 'Pr', 'Nd'] | 28 | 284.6332 | 4.1529 | mmm | Cmmm | 65 | orthorhombic | -187.4655 | -187.4655 | -0.4113 | -0.0379 | intercalated ion | 0.0526 | true | 0.0001 | null | -0.0381 | -0.0378 | gs://crystal-design/output/borg/round_3_wy_3/1e_3_med_0_common_84_nobal/B24Na1Nd2Pr1/0 |
4 | Nd7Os1Pr3Si5 | 00011f62be | Pr3Nd7Si5Os | ['Si', 'Pr', 'Nd', 'Os'] | 16 | 430.2851 | 6.804 | 1 | P1 | 1 | triclinic | -94.0804 | -94.0804 | -0.5004 | -0.0137 | 3D | 0.0022 | true | 0 | null | -0.0134 | -0.0106 | gs://crystal-design/output/borg/round_3_wy_3/1e_3_med_0_common_84_nobal/Nd7Os1Pr3Si5/0 |
5 | Ce2La3Pt16Tm15 | 00012feb99 | La3Ce2Tm15Pt16 | ['La', 'Ce', 'Tm', 'Pt'] | 36 | 828.6647 | 12.7292 | 1 | P1 | 1 | triclinic | -237.6016 | -237.6016 | -1.2959 | -0.1194 | null | null | null | 0 | null | -0.1195 | -0.1185 | gs://crystal-design/output/borg/round_6_4/1e_3_med_0_common_84_nobal/Ce2La3Pt16Tm15/0 |
6 | Er8Ge4Si12Zr12 | 0001759321 | Er2Zr3Si3Ge | ['Si', 'Ge', 'Zr', 'Er'] | 36 | 727.5283 | 6.9851 | 1 | P1 | 1 | triclinic | -254.0953 | -254.0953 | -0.8834 | -0.0302 | 3D | null | true | -0 | null | -0.0184 | -0.0183 | gs://crystal-design/output/borg/round_3_4/1e_3_med_0_common_84_nobal/Er8Ge4Si12Zr12/0 |
7 | Bi1Er8Ni5Y4 | 0001803dde | Y4Er8Ni5Bi | ['Ni', 'Y', 'Er', 'Bi'] | 18 | 448.3358 | 8.134 | mmm | Immm | 71 | orthorhombic | -102.1835 | -102.1835 | -0.3908 | -0.0053 | 3D | 0.0021 | true | 0 | null | -0.0025 | -0.0009 | gs://crystal-design/output/borg/round_3_4/1e_3_med_0_common_84_nobal/Bi1Er8Ni5Y4/0 |
8 | Co4Dy4Er8Lu8Sb8 | 000195ca16 | DyEr2Lu2CoSb2 | ['Co', 'Sb', 'Dy', 'Er', 'Lu'] | 32 | 814.0793 | 9.3781 | mmm | Pnma | 62 | orthorhombic | -175.0341 | -176.5701 | -0.749 | -0.0231 | 3D | null | true | 0 | null | -0.0231 | -0.0219 | gs://crystal-design/output/borg/round_3_wy_updated_4/1e_2_med_0_common_84_nobal/Co4Dy4Er8Lu8Sb8/0 |
9 | Co4Ga1Gd4In1Tb8 | 00019facb3 | Tb8Gd4InGaCo4 | ['Co', 'Ga', 'In', 'Gd', 'Tb'] | 18 | 451.756 | 8.5302 | mmm | Immm | 71 | orthorhombic | -132.6393 | -132.6393 | -0.2759 | -0.027 | 3D | null | true | 0 | null | -0.0315 | -0.0274 | gs://crystal-design/output/borg/round_3_wy_updated_4/1e_2_med_0_common_84_nobal/Co4Ga1Gd4In1Tb8/0 |
10 | Er2P6Ru12Si1 | 0001bfac1b | Er2Si(PRu2)6 | ['Si', 'P', 'Ru', 'Er'] | 21 | 304.3722 | 9.6089 | -6 | P-6 | 174 | hexagonal | -173.9893 | -173.9893 | -0.7455 | -0.0232 | 3D | 0.0059 | true | 0 | null | -0.0266 | -0.0262 | gs://crystal-design/output/borg/round_3_4/1e_3_med_0_common_84_nobal/Er2P6Ru12Si1/0 |
11 | Ho6N5 | 0001c050a9 | Ho6N5 | ['N', 'Ho'] | 11 | 176.0877 | 9.9924 | 2/m | C2/m | 12 | monoclinic | -86.5865 | -88.3915 | -1.7468 | -0.0026 | null | null | null | 0 | null | -0.0026 | -0.0019 | gs://surface-design/input/round_6_2/1e_3_med_0_common_84_nobal/Ho6N5/1 |
12 | Fe2Mo1Re6Ti1Zr18 | 0001e6370c | Zr18TiFe2Re6Mo | ['Ti', 'Fe', 'Zr', 'Mo', 'Re'] | 28 | 557.9962 | 8.9716 | -3m | P-3m1 | 164 | trigonal | -270.05 | -270.05 | -0.2087 | -0.018 | 3D | null | true | 0 | null | -0.018 | -0.0157 | gs://crystal-design/output/borg/round_3_wy_updated_4/1e_2_med_0_common_84_nobal/Fe2Mo1Re6Ti1Zr18/0 |
13 | Dy19Ir9Rh3Tm1 | 0002029627 | Dy19Tm(Ir3Rh)3 | ['Rh', 'Dy', 'Tm', 'Ir'] | 32 | 755.404 | 11.6398 | 2 | P2 | 3 | monoclinic | -219.466 | -219.466 | -0.8069 | -0.01 | 3D | null | true | 0.0002 | null | -0.01 | -0.0098 | gs://crystal-design/output/borg/round_3_wy_3/1e_3_med_0_common_84_nobal/Dy19Ir9Rh3Tm1/0 |
14 | As1Cu4Sc3Si1 | 00025f7488 | Sc3Cu4SiAs | ['Si', 'Sc', 'Cu', 'As'] | 9 | 141.9059 | 5.7579 | -6 | P-6 | 174 | hexagonal | -51.0533 | -51.0533 | -0.6194 | -0.0126 | null | null | null | 0 | null | -0.0126 | -0.0026 | gs://surface-design/input/round_6_4/1e_3_med_0_common_84_nobal/As1Cu4Sc3Si1/0 |
15 | Cd4Dy9Ir4Pr6Tb1 | 0002acc6dc | TbPr6Dy9(CdIr)4 | ['Cd', 'Pr', 'Tb', 'Dy', 'Ir'] | 24 | 662.6183 | 9.2357 | 3m | R3m | 160 | trigonal | -126.095 | -126.095 | -0.5112 | -0.0207 | 3D | 0.0015 | true | 0 | null | -0.0207 | -0.0201 | gs://crystal-design/output/borg/round_3_wy_updated_4/1e_2_med_0_common_84_nobal/Cd4Dy9Ir4Pr6Tb1/0 |
16 | Nd7Pd3Si12Y1Zn1 | 0002bbfa32 | Nd7YZn(Si4Pd)3 | ['Si', 'Zn', 'Y', 'Pd', 'Nd'] | 24 | 499.6447 | 6.0496 | m | Cm | 8 | monoclinic | -142.0025 | -142.0025 | -0.844 | -0.0236 | 3D | null | true | 0.0006 | null | -0.0235 | -0.017 | gs://crystal-design/output/borg/round_3_wy_updated_4/1e_2_med_0_common_84_nobal/Nd7Pd3Si12Y1Zn1/0 |
17 | Ga18Ir5Pt1Tb2Tm2 | 0002e3baac | Tb2Tm2Ga18Ir5Pt | ['Ga', 'Tb', 'Tm', 'Ir', 'Pt'] | 28 | 474.1886 | 10.7398 | 1 | P1 | 1 | triclinic | -141.9146 | -141.9146 | -0.6759 | -0.0113 | 3D | null | false | 0.0002 | null | -0.0112 | -0.0082 | gs://crystal-design/output/borg/round_3_wy_updated_4/1e_2_med_0_common_84_nobal/Ga18Ir5Pt1Tb2Tm2/0 |
18 | Dy6Ga20Tb1Y5 | 000311dfd5 | TbDy6(YGa4)5 | ['Ga', 'Y', 'Tb', 'Dy'] | 32 | 684.0986 | 7.2163 | 1 | P1 | 1 | triclinic | -146.3827 | -146.3827 | -0.6629 | -0.0032 | 3D | 0.0013 | true | 0.0005 | null | -0.0029 | -0.0027 | gs://crystal-design/output/borg/round_3_wy_3/1e_3_med_0_common_84_nobal/Dy6Ga20Tb1Y5/0 |
19 | Al17Lu3Os8Si7Y3 | 000314dd8f | Y3Lu3Al17Si7Os8 | ['Al', 'Si', 'Y', 'Lu', 'Os'] | 38 | 617.5403 | 7.9828 | m | Pm | 6 | monoclinic | -249.1474 | -249.1474 | -0.6504 | -0.0329 | 3D | null | true | 0 | null | -0.0325 | -0.0271 | gs://crystal-design/output/borg/round_5_5/1e_3_med_0_common_84_nobal/Al17Lu3Os8Si7Y3/2 |
20 | Ho3Nd5Sc12Sn16 | 000332ea9c | Nd5Ho3(Sc3Sn4)4 | ['Sc', 'Sn', 'Nd', 'Ho'] | 36 | 929.3179 | 6.5306 | 1 | P1 | 1 | triclinic | -204.9466 | -204.9466 | -0.756 | -0.052 | 3D | null | true | 0 | null | -0.052 | -0.0417 | gs://crystal-design/output/borg/round_3_wy_3/1e_3_med_0_common_84_nobal/Ho3Nd5Sc12Sn16/0 |
21 | Ce3Dy1Rh10Si1Zn2 | 00034ea01c | Ce3DyZn2SiRh10 | ['Si', 'Zn', 'Rh', 'Ce', 'Dy'] | 17 | 289.0716 | 10.1722 | 2 | C2 | 5 | monoclinic | -116.9451 | -116.9451 | -0.7618 | -0.0436 | 3D | null | true | 0 | null | -0.0436 | -0.0239 | gs://crystal-design/output/borg/round_3_wy_updated_4/1e_2_med_0_common_84_nobal/Ce3Dy1Rh10Si1Zn2/0 |
22 | B6Cu1Ni20Ta1Zn1 | 00035e0512 | TaZnCu(Ni10B3)2 | ['B', 'Ni', 'Cu', 'Zn', 'Ta'] | 29 | 288.4699 | 8.9145 | -43m | F-43m | 216 | cubic | -181.5654 | -181.5654 | -0.299 | -0.0043 | 3D | null | true | 0 | null | -0.0043 | -0.0043 | gs://crystal-design/output/borg/round_3_wy_updated_4/1e_2_med_0_common_84_nobal/B6Cu1Ni20Ta1Zn1/0 |
23 | Cd4Co1Ni3Tb4Y12 | 000388c7bb | Tb4Y12Cd4CoNi3 | ['Co', 'Ni', 'Y', 'Cd', 'Tb'] | 24 | 625.0173 | 6.3424 | 3m | R3m | 160 | trigonal | -131.2561 | -131.2561 | -0.2909 | -0.0068 | 3D | 0.0012 | false | 0.0001 | null | -0.0068 | -0.0066 | gs://crystal-design/output/borg/round_3_wy_updated_4/1e_2_med_0_common_84_nobal/Cd4Co1Ni3Tb4Y12/0 |
24 | Br5C2S1Tb6 | 00038f755f | Tb6C2SBr5 | ['C', 'S', 'Br', 'Tb'] | 14 | 339.3922 | 6.8946 | 2/m | C2/m | 12 | monoclinic | -78.8793 | -82.0523 | -1.7062 | -0.0865 | 3D | null | true | -0 | null | -0.0572 | -0.0333 | gs://crystal-design/output/borg/round_6_4/1e_3_med_0_common_84_nobal/Br5C2S1Tb6/1 |
25 | Dy5Ho1Mo1O12 | 0003926385 | Dy5HoMoO12 | ['O', 'Mo', 'Dy', 'Ho'] | 19 | 261.1871 | 8.0448 | 1 | P1 | 1 | triclinic | -155.4714 | -166.9174 | -3.6366 | -0.0113 | 3D | 2.385 | true | 0.0001 | null | -0.0112 | -0.0098 | gs://crystal-design/output/borg/round_3_wy_3/1e_3_med_0_common_84_nobal/Dy5Ho1Mo1O12/0 |
26 | I12Li4Np2 | 00039db7d5 | Li2NpI6 | ['Li', 'I', 'Np'] | 18 | 720.2928 | 4.6675 | -3m | P-31c | 163 | trigonal | -69.9114 | -74.4594 | -1.2909 | -0.1196 | intercalated ion | null | true | 0 | null | -0.0861 | -0.0822 | gs://crystal-design/output/borg/round_2_mo_3/1e_3_med_0_common_84_nobal/I12Li4Np2/0 |
27 | Ga5Hf6Nb3Si1Ta1 | 0003c4cfbc | Hf6TaNb3Ga5Si | ['Si', 'Ga', 'Nb', 'Hf', 'Ta'] | 16 | 295.6818 | 10.7114 | 1 | P1 | 1 | triclinic | -130.6109 | -130.5399 | -0.5043 | -0.0116 | 3D | 0.0052 | true | 0 | null | -0.0115 | -0.0055 | gs://crystal-design/output/borg/round_3_wy_updated_4/1e_2_med_0_common_84_nobal/Ga5Hf6Nb3Si1Ta1/0 |
28 | Pt1Sc4Zn3 | 0003d4e1ba | Sc4Zn3Pt | ['Sc', 'Zn', 'Pt'] | 8 | 147.8769 | 6.4134 | m-3m | Im-3m | 229 | cubic | -40.1392 | -40.1392 | -0.6199 | -0.0114 | 3D | 0.002 | true | 0 | null | -0.0114 | -0.0111 | gs://crystal-design/output/borg/round_3_wy_2/1e_3_med_0_common_84_nobal/Pt1Sc4Zn3/0 |
29 | F28Nd1Y3Zr4 | 0003e28026 | NdY3Zr4F28 | ['F', 'Y', 'Zr', 'Nd'] | 36 | 581.5793 | 3.7341 | 1 | P1 | 1 | triclinic | -250.9299 | -263.8659 | -4.2218 | -0.002 | 3D | 6.0072 | false | 0 | null | -0.002 | -0.0018 | gs://crystal-design/output/borg/round_3_4/1e_3_med_0_common_84_nobal/F28Nd1Y3Zr4/0 |
30 | Er1Ir4Si2Tb1Zn2 | 00040353a9 | TbErZn2(SiIr2)2 | ['Si', 'Zn', 'Tb', 'Er', 'Ir'] | 10 | 173.1785 | 12.293 | 4mm | P4mm | 99 | tetragonal | -66.7616 | -66.7616 | -0.8836 | -0.0578 | 3D | 0.004 | true | 0 | null | -0.0578 | -0.0517 | gs://crystal-design/output/borg/round_3_wy_updated_4/1e_2_med_0_common_84_nobal/Er1Ir4Si2Tb1Zn2/0 |
31 | As1Hf3Sn6Zr7 | 0004614ffc | Hf3Zr7Sn6As | ['As', 'Zr', 'Sn', 'Hf'] | 17 | 376.7669 | 8.6438 | 32 | P312 | 149 | trigonal | -129.8042 | -129.8042 | -0.6695 | -0.046 | 3D | 0.0063 | true | 0.0003 | null | -0.046 | -0.0451 | gs://crystal-design/output/borg/round_3_wy_3/1e_3_med_0_common_84_nobal/As1Hf3Sn6Zr7/0 |
32 | Ho19Pt16Tm1 | 00048dc45c | Ho19TmPt16 | ['Ho', 'Tm', 'Pt'] | 36 | 827.5426 | 12.8902 | m | Pm | 6 | monoclinic | -231.3837 | -231.3837 | -1.1862 | -0.0014 | 3D | 0.0019 | true | 0.0002 | null | -0.0015 | -0.0012 | gs://crystal-design/output/borg/improved_wy_round_2_2/1e_3_med_0_common_84_nobal/Ho19Pt16Tm1/0 |
33 | Al2Ce2Ir2Ru2Si2 | 0004b4acc9 | CeAlSiIrRu | ['Al', 'Si', 'Ru', 'Ce', 'Ir'] | 10 | 177.7614 | 9.126 | 4/mmm | P4/nmm | 129 | tetragonal | -75.6016 | -75.6016 | -0.9168 | -0.0062 | 3D | 0.0055 | true | 0 | null | -0.0169 | -0.0159 | gs://crystal-design/output/borg/round_3_wy_updated_4/1e_2_med_0_common_84_nobal/Al2Ce2Ir2Ru2Si2/0 |
34 | B16Ho3Os4Tm1 | 0004e44864 | Ho3Tm(B4Os)4 | ['B', 'Ho', 'Tm', 'Os'] | 24 | 243.9789 | 10.8735 | m | Pm | 6 | monoclinic | -184.1926 | -184.1926 | -0.5912 | 0.0002 | null | null | null | 0.0002 | null | 0.0002 | 0.0002 | gs://crystal-design/output/borg/improved_wy_round_2_3/1e_3_med_0_common_84_nobal/B16Ho3Os4Tm1/0 |
35 | Ca4O16Ru3W1 | 0004ee570b | Ca4Ru3WO16 | ['O', 'Ca', 'Ru', 'W'] | 24 | 333.4912 | 4.498 | 1 | P1 | 1 | triclinic | -166.2607 | -181.6907 | -2.2392 | -0.0144 | intercalated ion | 0.0014 | true | 0 | null | -0.0142 | -0.0141 | gs://crystal-design/output/borg/round_3_4/1e_3_med_0_common_84_nobal/Ca4O16Ru3W1/0 |
36 | Dy5Ge5Ho3Sc12Si11 | 0004fa9334 | Dy5Ho3Sc12Si11Ge5 | ['Si', 'Sc', 'Ge', 'Dy', 'Ho'] | 36 | 740.637 | 5.6475 | 1 | P1 | 1 | triclinic | -225.9702 | -225.9702 | -0.8591 | -0.0394 | 3D | null | true | 0.0004 | null | -0.028 | -0.0278 | gs://crystal-design/output/borg/round_3_wy_updated_4/1e_2_med_0_common_84_nobal/Dy5Ge5Ho3Sc12Si11/0 |
37 | Be2Co7Tm3 | 0004ff10f9 | Tm3Be2Co7 | ['Be', 'Co', 'Tm'] | 12 | 161.6304 | 9.6301 | -3m | R-3m | 166 | trigonal | -74.0948 | -74.0948 | -0.2859 | -0.0124 | intercalated ion | 0.0024 | true | -0 | null | -0.0124 | -0.0088 | gs://crystal-design/output/borg/round_3_wy_2/1e_3_med_0_common_84_nobal/Be2Co7Tm3/0 |
38 | As1Ho10Sn6 | 000501ff72 | Ho10Sn6As | ['As', 'Sn', 'Ho'] | 17 | 464.6874 | 8.7067 | -3m | P-31m | 162 | trigonal | -88.7367 | -88.7367 | -0.8351 | -0.024 | 3D | 0.0098 | true | 0 | null | -0.024 | -0.023 | gs://crystal-design/output/borg/round_3_3/1e_3_med_0_common_84_nobal/As1Ho10Sn6/0 |
39 | B24Ca1Ru4Y7 | 00053cdba6 | CaY7(B6Ru)4 | ['B', 'Ca', 'Y', 'Ru'] | 36 | 387.8003 | 5.6786 | m | Pm | 6 | monoclinic | -267.3327 | -267.3327 | -0.6294 | -0.0013 | intercalated ion | 0.0118 | true | -0 | null | -0.0013 | -0.0011 | gs://crystal-design/output/borg/improved_wy_round_2_3/1e_3_med_0_common_84_nobal/B24Ca1Ru4Y7/0 |
40 | Sc18Tc6V2 | 0005d6281e | Sc9VTc3 | ['Sc', 'V', 'Tc'] | 26 | 529.7063 | 4.6994 | 6/mmm | P6_3/mmc | 194 | hexagonal | -198.7908 | -198.7908 | -0.1721 | -0.0444 | 3D | 0.0027 | true | 0 | null | -0.0444 | -0.0437 | gs://crystal-design/output/borg/round_3_wy_2/1e_3_med_0_common_84_nobal/Sc18Tc6V2/0 |
41 | Lu4O12Tc2Y1 | 0005faa597 | YLu4(TcO6)2 | ['O', 'Y', 'Tc', 'Lu'] | 19 | 241.2936 | 8.0983 | m | Cm | 8 | monoclinic | -160.4116 | -168.6556 | -3.3697 | -0.0383 | 3D | 0.0226 | true | 0.0008 | null | -0.0381 | -0.0381 | gs://crystal-design/output/borg/round_3_wy_3/1e_3_med_0_common_84_nobal/Lu4O12Tc2Y1/0 |
42 | Br18Cd1Na1 | 000647a7c7 | NaCdBr18 | ['Na', 'Br', 'Cd'] | 20 | 828.6141 | 3.1536 | -3 | R-3 | 148 | trigonal | -35.8419 | -45.4539 | -0.7625 | -0.3921 | intercalated ion | null | true | 0 | null | -0.3168 | -0.3168 | gs://crystal-design/output/borg/round_3_repeat_3/1e_3_med_0_common_84_nobal/Br18Cd1Na1/0 |
43 | B6Er4Mn2Pa1 | 00064a0e7a | Er4Pa(MnB3)2 | ['B', 'Mn', 'Er', 'Pa'] | 13 | 185.3869 | 9.6273 | -3m | R-3m | 166 | trigonal | -93.6139 | -93.6139 | -0.5714 | -0.0925 | 3D | 0.0017 | false | 0 | null | -0.0925 | -0.083 | gs://crystal-design/output/borg/round_3_4/1e_3_med_0_common_84_nobal/B6Er4Mn2Pa1/0 |
44 | Dy1Lu6Ru4Tb3 | 00068a59ed | Tb3Dy(Lu3Ru2)2 | ['Ru', 'Tb', 'Dy', 'Lu'] | 14 | 348.1214 | 9.9853 | 1 | P1 | 1 | triclinic | -88.3524 | -88.3524 | -0.4014 | -0.0047 | 3D | 0.003 | true | 0.0005 | null | -0.0047 | -0.0037 | gs://crystal-design/output/borg/round_3_wy_3/1e_3_med_0_common_84_nobal/Dy1Lu6Ru4Tb3/0 |
45 | Er3Ho1Re7W1 | 00068dbeb8 | HoEr3Re7W | ['Ho', 'Er', 'W', 'Re'] | 12 | 225.8793 | 15.835 | 3m | P3m1 | 156 | trigonal | -121.1795 | -121.1795 | -0.2353 | -0.0006 | 3D | 0.0051 | true | 0.0006 | null | -0.0006 | -0 | gs://crystal-design/output/borg/round_3_wy_3/1e_3_med_0_common_84_nobal/Er3Ho1Re7W1/0 |
46 | Cs17Lu5O16 | 0006ba6013 | Cs17Lu5O16 | ['O', 'Cs', 'Lu'] | 38 | 1,035.0074 | 5.4392 | m | Cm | 8 | monoclinic | -189.3455 | -200.3375 | -2.1938 | -0.0393 | 1D | null | true | 0 | null | -0.039 | -0.0389 | gs://crystal-design/output/borg/round_2_mo_3/1e_3_med_0_common_84_nobal/Cs17Lu5O16/0 |
47 | Ce1Pd12Si12Tb10Y1 | 0006bc9933 | Tb10CeY(SiPd)12 | ['Si', 'Y', 'Pd', 'Ce', 'Tb'] | 36 | 689.4833 | 8.2664 | m | Pm | 6 | monoclinic | -221.6553 | -221.6553 | -0.9903 | -0.0006 | 3D | 0.0014 | true | 0.0003 | null | -0.0223 | 0.0002 | gs://crystal-design/output/borg/round_3_wy_updated_4/1e_2_med_0_common_84_nobal/Ce1Pd12Si12Tb10Y1/0 |
48 | Ca6H1N6Re2 | 000700a6a6 | Ca6Re2HN6 | ['H', 'N', 'Ca', 'Re'] | 15 | 228.0253 | 5.0825 | -3 | R-3 | 148 | trigonal | -103.2081 | -105.5531 | -1.0146 | -0.1052 | intercalated ion | 0.0062 | true | 0 | null | -0.0925 | -0.0915 | gs://crystal-design/output/borg/round_2_mo_4/1e_3_med_0_common_84_nobal/Ca6H1N6Re2/0 |
49 | Ge1Nd6Pd24Tb2 | 00071488d1 | Tb2Nd6GePd24 | ['Ge', 'Pd', 'Nd', 'Tb'] | 33 | 605.957 | 10.4408 | -3m | R-3m | 166 | trigonal | -194.7924 | -194.7924 | -0.8509 | -0.0402 | 3D | null | false | 0.0005 | null | -0.0357 | -0.0357 | gs://crystal-design/output/borg/round_3_wy_3/1e_3_med_0_common_84_nobal/Ge1Nd6Pd24Tb2/0 |
50 | F12H7Hg1 | 00071d81d5 | HgH7F12 | ['H', 'F', 'Hg'] | 20 | 247.6695 | 2.9207 | 2 | C2 | 5 | monoclinic | -72.1134 | -77.6574 | -1.5333 | -0.0908 | 1D | null | true | 0 | null | -0.0694 | -0.0174 | gs://crystal-design/output/borg/improved_mo_3/1e_3_med_0_common_84_nobal/F12H7Hg1/0 |
51 | Ga4Li1Ru3Sm4 | 00073791f5 | LiSm4Ga4Ru3 | ['Li', 'Ga', 'Ru', 'Sm'] | 12 | 243.8018 | 8.1084 | m | Pm | 6 | monoclinic | -66.5945 | -66.5945 | -0.4894 | -0.0472 | intercalated ion | 0.0058 | true | -0 | null | -0.0472 | -0.0356 | gs://crystal-design/output/borg/repeated_stage_1/1e_3_med_0_common_84_nobal/Ga4Li1Ru3Sm4/0 |
52 | Ag1Ga2In1Mg2Y3 | 000781d28d | Y3Mg2InGa2Ag | ['Mg', 'Ga', 'Y', 'Ag', 'In'] | 9 | 205.9845 | 5.4613 | mm2 | Amm2 | 38 | orthorhombic | -38.7863 | -38.7863 | -0.5269 | -0.0366 | 3D | 0.0044 | false | 0 | null | -0.0209 | -0.0165 | gs://crystal-design/output/borg/round_3_wy_updated_4/1e_2_med_0_common_84_nobal/Ag1Ga2In1Mg2Y3/0 |
53 | Ho4Ir1Rh3Tm6 | 0007ac2663 | Ho4Tm6IrRh3 | ['Rh', 'Ho', 'Tm', 'Ir'] | 14 | 356.2516 | 10.1345 | 1 | P1 | 1 | triclinic | -85.1362 | -85.1362 | -0.6443 | -0.0146 | 3D | 0.0008 | true | 0.0006 | null | -0.0146 | -0.0039 | gs://crystal-design/output/borg/round_3_wy_3/1e_3_med_0_common_84_nobal/Ho4Ir1Rh3Tm6/0 |
54 | Dy4Pt3Rh1Zr4 | 0007d985e6 | Dy4Zr4Pt3Rh | ['Zr', 'Rh', 'Dy', 'Pt'] | 12 | 275.6738 | 10.2585 | m | Pm | 6 | monoclinic | -87.9678 | -87.9678 | -0.8144 | -0.0132 | 3D | 0.0012 | true | 0 | null | -0.0132 | -0.0091 | gs://crystal-design/output/borg/round_3_4/1e_3_med_0_common_84_nobal/Dy4Pt3Rh1Zr4/0 |
55 | Al2Dy1Ga1Ir3U2 | 0007f19659 | DyU2Al2GaIr3 | ['Al', 'Ga', 'Dy', 'Ir', 'U'] | 9 | 172.2793 | 12.9051 | mm2 | Amm2 | 38 | orthorhombic | -71.12 | -71.12 | -0.7662 | -0.0722 | 3D | 0.0016 | true | 0 | null | -0.0722 | -0.0248 | gs://crystal-design/output/borg/round_3_wy_updated_4/1e_2_med_0_common_84_nobal/Al2Dy1Ga1Ir3U2/0 |
56 | Al2Cs4Ga2Ge4Se16 | 0008017d9e | Cs2AlGa(GeSe4)2 | ['Al', 'Ga', 'Ge', 'Se', 'Cs'] | 28 | 989.0978 | 3.826 | 2 | P2_1 | 4 | monoclinic | -112.5669 | -120.1189 | -1.035 | -0.0697 | intercalated ion | null | true | 0.0005 | null | -0.0541 | -0.0165 | gs://crystal-design/output/borg/round_3_wy_updated_4/1e_2_med_0_common_84_nobal/Al2Cs4Ga2Ge4Se16/0 |
57 | As4Nd3Pt4Zr1 | 0008021746 | Nd3Zr(AsPt)4 | ['As', 'Zr', 'Nd', 'Pt'] | 12 | 253.9925 | 10.4864 | -6m2 | P-6m2 | 187 | hexagonal | -80.0314 | -80.0314 | -1.1883 | -0.0165 | 3D | 0.0286 | true | 0 | null | -0.0165 | -0.0018 | gs://crystal-design/output/borg/round_3_4/1e_3_med_0_common_84_nobal/As4Nd3Pt4Zr1/0 |
58 | Ba4Cl2Gd1O6Tb1 | 00080bd83a | Ba4TbGd(ClO3)2 | ['O', 'Cl', 'Ba', 'Gd', 'Tb'] | 14 | 302.0199 | 5.6762 | 4mm | P4mm | 99 | tetragonal | -100.5177 | -105.8677 | -3.2917 | -0.0311 | intercalated ion | 2.774 | true | 0.0001 | null | -0.0189 | -0.0111 | gs://crystal-design/output/borg/round_3_wy_4/1e_3_med_0_common_84_nobal/Ba4Cl2Gd1O6Tb1/0 |
59 | Li3Ni4P4Ta1 | 0008453844 | Li3Ta(NiP)4 | ['Li', 'P', 'Ni', 'Ta'] | 12 | 149.6198 | 6.22 | m | Pm | 6 | monoclinic | -70.943 | -70.943 | -0.7146 | -0.0315 | intercalated ion | 0.012 | true | 0 | null | -0.0316 | -0.0269 | gs://crystal-design/output/borg/improved_wy_3/1e_3_med_0_common_84_nobal/Li3Ni4P4Ta1/0 |
60 | La2Pt3Sn3Sr1 | 0008b3f670 | SrLa2(SnPt)3 | ['Sr', 'Sn', 'La', 'Pt'] | 9 | 219.1377 | 9.9025 | mm2 | Amm2 | 38 | orthorhombic | -50.8304 | -50.8304 | -1.003 | 0.0007 | null | null | null | 0.0007 | null | 0.0007 | 0.0007 | gs://crystal-design/output/borg/improved_wy_3/1e_3_med_0_common_84_nobal/La2Pt3Sn3Sr1/0 |
61 | Co1Er11Ho5In5Ni1Tl1 | 0008bb37c4 | Ho5Er11TlIn5CoNi | ['Co', 'Ni', 'In', 'Ho', 'Er', 'Tl'] | 24 | 641.0754 | 9.2228 | 1 | P1 | 1 | triclinic | -110.5476 | -110.5476 | -0.3493 | -0.0119 | null | null | null | 0.0008 | null | -0.0119 | -0.0115 | gs://crystal-design/output/borg/round_6_wy_5/1e_3_med_0_common_84_nobal/Co1Er11Ho5In5Ni1Tl1/0 |
62 | Al12Fe4Hf6Pd3Ti4 | 0008e21fec | Hf6Ti4Al12Fe4Pd3 | ['Al', 'Ti', 'Fe', 'Pd', 'Hf'] | 29 | 459.2021 | 7.6981 | 3m | R3m | 160 | trigonal | -202.7952 | -202.7952 | -0.5898 | -0.0327 | 3D | 0.0041 | true | 0 | null | -0.0325 | -0.0324 | gs://crystal-design/output/borg/round_3_wy_updated_4/1e_2_med_0_common_84_nobal/Al12Fe4Hf6Pd3Ti4/0 |
63 | Dy3Er21Ru14 | 0008eeb5e9 | Dy3(Er3Ru2)7 | ['Ru', 'Dy', 'Er'] | 38 | 867.1483 | 10.3693 | 1 | P1 | 1 | triclinic | -254.6668 | -254.6668 | -0.3969 | -0.0156 | 3D | null | true | 0 | null | -0.0156 | -0.0098 | gs://crystal-design/output/borg/round_5_3/1e_3_med_0_common_84_nobal/Dy3Er21Ru14/0 |
64 | Au6Er1Ho3Sb8Tm2 | 00090c7f29 | Ho3ErTm2(Sb4Au3)2 | ['Sb', 'Ho', 'Er', 'Tm', 'Au'] | 20 | 486.2178 | 10.7777 | 2 | C2 | 5 | monoclinic | -95.5547 | -97.0907 | -0.8574 | -0.0527 | 3D | 0.5667 | true | 0.0002 | null | -0.0001 | 0.0002 | gs://crystal-design/output/borg/round_3_wy_updated_4/1e_2_med_0_common_84_nobal/Au6Er1Ho3Sb8Tm2/0 |
65 | Co12Ni8P12Tb4 | 00093dbe6a | TbCo3Ni2P3 | ['P', 'Co', 'Ni', 'Tb'] | 36 | 446.5068 | 8.1227 | mmm | Pnma | 62 | orthorhombic | -245.6504 | -245.6504 | -0.8503 | -0.0252 | 3D | 0.0023 | true | 0 | null | -0.0252 | -0.025 | gs://crystal-design/output/borg/improved_wy_round_2_3/1e_3_med_0_common_84_nobal/Co12Ni8P12Tb4/0 |
66 | Sc2Se12Ta6 | 00094d1f1a | Sc(TaSe2)3 | ['Sc', 'Se', 'Ta'] | 20 | 431.7925 | 8.1649 | 622 | P6_322 | 182 | hexagonal | -146.5948 | -152.2588 | -1.3248 | -0.0571 | 3D | 0.194 | false | 0 | null | -0.0571 | -0.0498 | gs://crystal-design/output/borg/round_2_mo_3/1e_3_med_0_common_84_nobal/Sc2Se12Ta6/0 |
67 | Er13Ga6Ho3Os2 | 0009c9745f | Ho3Er13(Ga3Os)2 | ['Ga', 'Ho', 'Er', 'Os'] | 24 | 599.7472 | 9.6018 | m | Cm | 8 | monoclinic | -124.3102 | -124.3102 | -0.44 | -0.0034 | 3D | null | true | 0.0004 | null | -0.0034 | -0.0029 | gs://crystal-design/output/borg/round_3_wy_3/1e_3_med_0_common_84_nobal/Er13Ga6Ho3Os2/0 |
68 | Co1Ho5Ru5Sn23Y2 | 0009d009ed | Y2Ho5CoSn23Ru5 | ['Co', 'Y', 'Ru', 'Sn', 'Ho'] | 36 | 839.4542 | 8.5001 | m | Cm | 8 | monoclinic | -198.1581 | -198.1581 | -0.4615 | -0.0343 | 3D | null | true | 0 | null | -0.0343 | -0.0304 | gs://crystal-design/output/borg/round_3_wy_updated_4/1e_2_med_0_common_84_nobal/Co1Ho5Ru5Sn23Y2/0 |
69 | Ag1Eu3In3Rh2 | 0009e629af | Eu3In3AgRh2 | ['Rh', 'Ag', 'In', 'Eu'] | 9 | 219.1101 | 8.4427 | -6 | P-6 | 174 | hexagonal | -61.4911 | -61.4911 | -0.5449 | -0.0423 | 3D | 0.0008 | true | 0 | null | -0.0306 | -0.008 | gs://crystal-design/output/borg/round_3_4/1e_3_med_0_common_84_nobal/Ag1Eu3In3Rh2/0 |
70 | Ho1Ir4Lu1Si2Zn2 | 0009fa0693 | HoLuZn2(SiIr2)2 | ['Si', 'Zn', 'Ho', 'Lu', 'Ir'] | 10 | 171.5249 | 12.5442 | 4mm | P4mm | 99 | tetragonal | -66.569 | -66.569 | -0.8742 | -0.0455 | 3D | 0.0035 | true | 0.0005 | null | -0.0449 | -0.0398 | gs://crystal-design/output/borg/round_3_wy_updated_4/1e_2_med_0_common_84_nobal/Ho1Ir4Lu1Si2Zn2/0 |
71 | Bi8Ga4Tb13Y7 | 000a0b7cb3 | Tb13Y7(GaBi2)4 | ['Ga', 'Y', 'Tb', 'Bi'] | 32 | 921.1967 | 8.3624 | m | Pm | 6 | monoclinic | -169.9346 | -169.9346 | -0.6746 | -0.0237 | 3D | 0.0012 | true | 0.0003 | null | -0.0113 | -0.0107 | gs://crystal-design/output/borg/round_3_wy_3/1e_3_med_0_common_84_nobal/Bi8Ga4Tb13Y7/0 |
72 | B2Cu5Nd1Ni8Sr2 | 000a208383 | Sr2NdCu5(Ni4B)2 | ['B', 'Ni', 'Cu', 'Sr', 'Nd'] | 18 | 255.5037 | 7.3334 | mmm | Cmmm | 65 | orthorhombic | -92.8873 | -92.8873 | -0.258 | -0.0212 | 3D | 0.0032 | true | 0 | null | -0.0212 | -0.0196 | gs://crystal-design/output/borg/round_3_wy_updated_4/1e_2_med_0_common_84_nobal/B2Cu5Nd1Ni8Sr2/0 |
73 | Br1La6Tl9 | 000a24e3dd | La6Tl9Br | ['Br', 'La', 'Tl'] | 16 | 484.5155 | 9.4344 | 4/m | I4/m | 87 | tetragonal | -61.4278 | -61.9618 | -0.5956 | -0.0118 | null | null | null | 0 | null | -0.0066 | -0.0055 | gs://surface-design/input/round_6_3/1e_3_med_0_common_84_nobal/Br1La6Tl9/0 |
74 | C10Dy2Ho4Tb2 | 000a284c64 | TbDyHo2C5 | ['C', 'Tb', 'Dy', 'Ho'] | 18 | 288.4579 | 8.1898 | 2/m | P2/m | 10 | monoclinic | -134.9844 | -134.9844 | -0.327 | 0.0002 | 3D | 0.0049 | true | 0.0004 | null | -0.0008 | -0.0008 | gs://crystal-design/output/borg/round_3_wy_3/1e_3_med_0_common_84_nobal/C10Dy2Ho4Tb2/0 |
75 | Bi2Sn6Th10 | 000a3959e9 | Th5Sn3Bi | ['Sn', 'Bi', 'Th'] | 18 | 540.9522 | 10.5922 | mm2 | Amm2 | 38 | orthorhombic | -116.7905 | -116.7905 | -0.6063 | -0.0417 | 3D | 0.0094 | true | 0 | null | -0.0362 | -0.0354 | gs://crystal-design/output/borg/improved_wy_round_2_2/1e_3_med_0_common_84_nobal/Bi2Sn6Th10/0 |
76 | Er6Hf11Si16Tb2W1 | 000a454d8c | Tb2Er6Hf11Si16W | ['Si', 'Tb', 'Er', 'Hf', 'W'] | 36 | 693.9553 | 9.3752 | 1 | P1 | 1 | triclinic | -275.1708 | -275.1708 | -0.8112 | -0.0392 | 3D | 0.0017 | false | 0.0003 | null | -0.0388 | -0.0381 | gs://crystal-design/output/borg/round_3_wy_updated_4/1e_2_med_0_common_84_nobal/Er6Hf11Si16Tb2W1/0 |
77 | As8Hf1Rb16Th1 | 000a49927a | Rb16HfThAs8 | ['As', 'Rb', 'Hf', 'Th'] | 26 | 1,100.177 | 3.5883 | -43m | F-43m | 216 | cubic | -82.1855 | -82.1855 | -0.4559 | -0.0449 | null | null | null | 0 | null | -0.0449 | -0.0407 | gs://surface-design/input/round_6_4/1e_3_med_0_common_84_nobal/As8Hf1Rb16Th1/0 |
78 | Nb8S16Zr2 | 000a5cd7c6 | Zr(NbS2)4 | ['S', 'Zr', 'Nb'] | 26 | 508.9093 | 4.6945 | 6/mmm | P6_3/mmc | 194 | hexagonal | -196.5044 | -204.5524 | -1.5563 | -0.0487 | null | null | null | 0 | null | -0.0487 | -0.0438 | gs://surface-design/input/gnome_ternaries_by_model_round_3_ensemble/1e_3_med_0_common_84_nobal/Nb8S16Zr2/0 |
79 | Ac5As1O12Pd1 | 000a74e81f | Ac5AsPdO12 | ['O', 'As', 'Pd', 'Ac'] | 19 | 306.2263 | 8.1791 | 2 | C2 | 5 | monoclinic | -138.7015 | -146.9455 | -3.0074 | -0.1454 | 3D | null | true | 0 | null | -0.1452 | -0.1341 | gs://crystal-design/output/borg/round_6_4/1e_3_med_0_common_84_nobal/Ac5As1O12Pd1/0 |
80 | Co16Fe2Lu4P12Tb2 | 000a9f0d6b | TbLu2Fe(Co4P3)2 | ['P', 'Fe', 'Co', 'Tb', 'Lu'] | 36 | 465.7168 | 8.7143 | mmm | Pmmn | 59 | orthorhombic | -257.265 | -257.265 | -0.9522 | -0.0199 | 3D | null | true | 0 | null | -0.0199 | -0.0181 | gs://crystal-design/output/borg/round_3_wy_updated_4/1e_2_med_0_common_84_nobal/Co16Fe2Lu4P12Tb2/0 |
81 | Ag5La1Zn7 | 000ac4e4b5 | LaZn7Ag5 | ['Zn', 'Ag', 'La'] | 13 | 228.9017 | 8.2418 | mm2 | Imm2 | 44 | orthorhombic | -30.5102 | -30.5102 | -0.1995 | -0.0184 | 3D | null | true | 0.0008 | null | -0.0173 | -0.0101 | gs://crystal-design/output/borg/round_5_3/1e_3_med_0_common_84_nobal/Ag5La1Zn7/1 |
82 | Cu1Ge3La2Mg3Zn2 | 000ad30f55 | La2Mg3Zn2CuGe3 | ['Mg', 'Cu', 'Zn', 'Ge', 'La'] | 11 | 229.8635 | 5.512 | mm2 | Amm2 | 38 | orthorhombic | -40.3584 | -40.3584 | -0.5277 | -0.0747 | 3D | 0.0007 | false | 0 | null | -0.032 | -0.0111 | gs://crystal-design/output/borg/round_3_wy_updated_4/1e_2_med_0_common_84_nobal/Cu1Ge3La2Mg3Zn2/0 |
83 | Fe2Mn6Ta4 | 000b1596d8 | Ta2Mn3Fe | ['Mn', 'Fe', 'Ta'] | 12 | 156.3372 | 12.3752 | 6/mmm | P6_3/mmc | 194 | hexagonal | -122.0459 | -122.0459 | -0.2252 | -0.0085 | 3D | null | true | 0 | null | -0.0085 | -0.0043 | gs://crystal-design/output/borg/improved_mo_3/1e_3_med_0_common_84_nobal/Fe2Mn6Ta4/1 |
84 | Br12Ga4Pr12 | 000b2a67ca | Pr3GaBr3 | ['Ga', 'Br', 'Pr'] | 28 | 902.5823 | 5.388 | 432 | I4_132 | 214 | cubic | -126.9068 | -133.3148 | -1.6141 | -0.1085 | 3D | 0.0049 | true | 0 | null | -0.073 | -0.0604 | gs://crystal-design/output/borg/round_3_repeat_3/1e_3_med_0_common_84_nobal/Br12Ga4Pr12/0 |
85 | Dy7Ho3Pb1Si5 | 000b2c6c65 | Dy7Ho3Si5Pb | ['Si', 'Dy', 'Ho', 'Pb'] | 16 | 405.1762 | 8.1143 | 1 | P1 | 1 | triclinic | -87.1462 | -87.1462 | -0.6445 | -0.0068 | 3D | 0.0014 | true | 0.0003 | null | -0.0065 | -0.0058 | gs://crystal-design/output/borg/round_3_wy_3/1e_3_med_0_common_84_nobal/Dy7Ho3Pb1Si5/0 |
86 | B1Dy4Ni20Si11 | 000b344f42 | Dy4Si11Ni20B | ['B', 'Si', 'Ni', 'Dy'] | 36 | 461.2814 | 7.7167 | m | Pm | 6 | monoclinic | -225.0299 | -225.0299 | -0.6845 | 0.0102 | null | null | null | 0.0007 | null | -0.0115 | -0.0115 | gs://crystal-design/output/borg/round_3_wy_3/1e_3_med_0_common_84_nobal/B1Dy4Ni20Si11/0 |
87 | Er6Ho6Ru2Tc2 | 000b4e35ae | Ho3Er3TcRu | ['Tc', 'Ru', 'Ho', 'Er'] | 16 | 416.6511 | 9.5303 | 2 | P2_1 | 4 | monoclinic | -98.0157 | -98.0157 | -0.2403 | -0.022 | 3D | 0.0052 | true | 0 | null | -0.022 | -0.0207 | gs://crystal-design/output/borg/round_3_wy_3/1e_3_med_0_common_84_nobal/Er6Ho6Ru2Tc2/0 |
88 | Eu1Li4Nd3O16Sr8 | 000b556e59 | Sr8Li4Nd3EuO16 | ['Li', 'O', 'Sr', 'Nd', 'Eu'] | 32 | 488.7931 | 5.3316 | m | Pm | 6 | monoclinic | -212.7557 | -223.7477 | -3.0899 | -0.0303 | intercalated ion | 0.0108 | true | 0 | null | -0.0293 | -0.017 | gs://crystal-design/output/borg/round_3_wy_updated_4/1e_2_med_0_common_84_nobal/Eu1Li4Nd3O16Sr8/0 |
89 | B20Ba4O36Tl4 | 000b56dd83 | BaTlB5O9 | ['B', 'O', 'Ba', 'Tl'] | 64 | 857.5532 | 4.1807 | 2/m | P2_1/c | 14 | monoclinic | -484.3913 | -509.1233 | -2.8176 | -0.0016 | null | null | null | 0 | null | -0.0008 | -0.0008 | gs://surface-design/input/round_6_4/1e_3_med_0_common_84_nobal/B20Ba4O36Tl4/1 |
90 | Cd4Er13Ni3Os1Tb3 | 000b592cf1 | Tb3Er13Cd4Ni3Os | ['Ni', 'Cd', 'Tb', 'Er', 'Os'] | 24 | 607.0616 | 9.4838 | m | Cm | 8 | monoclinic | -112.9703 | -112.9703 | -0.3095 | -0.0058 | 3D | 0.0007 | false | 0.0001 | null | -0.0058 | -0.0056 | gs://crystal-design/output/borg/round_3_wy_updated_4/1e_2_med_0_common_84_nobal/Cd4Er13Ni3Os1Tb3/0 |
91 | Bi8P4Tm18Y2 | 000b6006cb | YTm9(Bi2P)2 | ['P', 'Y', 'Tm', 'Bi'] | 32 | 840.0648 | 9.9118 | mm2 | Pmc2_1 | 26 | orthorhombic | -172.894 | -172.894 | -0.8443 | -0.0209 | null | null | null | 0.0002 | null | -0.0085 | -0.0074 | gs://surface-design/input/round_6_4/1e_3_med_0_common_84_nobal/Bi8P4Tm18Y2/0 |
92 | Au1Ce1Mn1Pt3 | 000ba102f7 | CeMnPt3Au | ['Mn', 'Ce', 'Pt', 'Au'] | 6 | 109.0751 | 14.8778 | 3m | R3m | 160 | trigonal | -40.8045 | -40.8045 | -0.7037 | -0.0294 | 3D | 0.0085 | false | 0 | null | -0.0295 | -0.028 | gs://crystal-design/output/borg/round_3_wy_3/1e_3_med_0_common_84_nobal/Au1Ce1Mn1Pt3/0 |
93 | Ag3Er10In1Ni4Y6 | 000bbe5337 | Y6Er10InNi4Ag3 | ['Ni', 'Y', 'Ag', 'In', 'Er'] | 24 | 593.1481 | 8.0605 | 3m | R3m | 160 | trigonal | -126.5886 | -126.5886 | -0.3226 | -0.018 | 3D | null | true | 0 | null | -0.018 | -0.0157 | gs://crystal-design/output/borg/round_5_5/1e_3_med_0_common_84_nobal/Ag3Er10In1Ni4Y6/1 |
94 | Cl24Cs8Mg1Os3 | 000bd04252 | Cs8Mg(OsCl8)3 | ['Mg', 'Cl', 'Cs', 'Os'] | 36 | 1,197.9585 | 3.478 | 4/mmm | I4/mmm | 139 | tetragonal | -133.3313 | -148.0674 | -1.7043 | -0.1401 | null | null | null | 0 | null | -0.1376 | -0.0063 | gs://surface-design/input/round_6_4/1e_3_med_0_common_84_nobal/Cl24Cs8Mg1Os3/0 |
95 | In2Ir4Lu1U3 | 000c16e2cd | LuU3(InIr2)2 | ['In', 'Lu', 'Ir', 'U'] | 10 | 208.2931 | 15.0479 | mm2 | Amm2 | 38 | orthorhombic | -85.0821 | -85.0821 | -0.583 | -0.0301 | 3D | 0.0001 | true | 0 | null | -0.0301 | -0.0247 | gs://crystal-design/output/borg/round_3_4/1e_3_med_0_common_84_nobal/In2Ir4Lu1U3/0 |
96 | Cs3Np2S6Sr1 | 000c45d01e | Cs3Sr(NpS3)2 | ['S', 'Sr', 'Cs', 'Np'] | 12 | 363.6708 | 5.2634 | 2/m | C2/m | 12 | monoclinic | -72.8884 | -75.9064 | -1.7347 | -0.1157 | intercalated ion | null | false | 0 | null | -0.1162 | -0.0314 | gs://crystal-design/output/borg/round_6_4/1e_3_med_0_common_84_nobal/Cs3Np2S6Sr1/0 |
97 | As1Ge2Nb4P1Zr4 | 000c71488c | Zr4Nb4Ge2AsP | ['P', 'Ge', 'As', 'Zr', 'Nb'] | 12 | 220.8538 | 7.4262 | m | Pm | 6 | monoclinic | -103.8718 | -103.8718 | -0.8471 | -0.0799 | 3D | 0.0044 | true | 0.0006 | null | -0.0636 | -0.0157 | gs://crystal-design/output/borg/round_3_wy_updated_4/1e_2_med_0_common_84_nobal/As1Ge2Nb4P1Zr4/0 |
98 | La16Li1Mg3Os4 | 000cb166bb | LiLa16Mg3Os4 | ['Li', 'Mg', 'La', 'Os'] | 24 | 739.2674 | 6.8807 | 3m | R3m | 160 | trigonal | -133.9226 | -133.9226 | -0.1508 | -0.0219 | intercalated ion | 0.0008 | true | 0.0004 | null | -0.0153 | -0.0151 | gs://crystal-design/output/borg/round_3_wy_3/1e_3_med_0_common_84_nobal/La16Li1Mg3Os4/0 |
99 | B2Ga6Ta8W2 | 000cd38102 | Ta4Ga3BW | ['B', 'Ga', 'Ta', 'W'] | 18 | 275.1984 | 13.608 | -3m | P-31m | 162 | trigonal | -159.2844 | -159.2844 | -0.3877 | -0.0216 | 3D | 0.0058 | true | 0 | null | -0.0215 | -0.0199 | gs://crystal-design/output/borg/improved_wy_round_2_3/1e_3_med_0_common_84_nobal/B2Ga6Ta8W2/0 |
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