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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
200 | C12Fe2Nd6Ti2 | 001756dfcf | Nd3TiFeC6 | ['C', 'Ti', 'Fe', 'Nd'] | 22 | 315.9809 | 6.3956 | 6/m | P6_3/m | 176 | hexagonal | -179.2684 | -179.2684 | -0.3266 | -0.0652 | 3D | 0.0077 | true | 0 | null | -0.0661 | -0.0409 | gs://crystal-design/output/borg/round_3_4/1e_3_med_0_common_84_nobal/C12Fe2Nd6Ti2/0 |
201 | Fe2Hf4Ir1P4Ru1 | 00176129d3 | Hf4Fe2P4IrRu | ['P', 'Fe', 'Ru', 'Hf', 'Ir'] | 12 | 174.0316 | 11.8586 | m | Pm | 6 | monoclinic | -109.438 | -109.438 | -1.0753 | -0.0283 | 3D | 0.0024 | true | 0.0007 | null | -0.0283 | -0.0062 | gs://crystal-design/output/borg/round_3_wy_updated_4/1e_2_med_0_common_84_nobal/Fe2Hf4Ir1P4Ru1/0 |
202 | Cd18Ge1La6Mg5 | 0017639643 | La6Mg5Cd18Ge | ['Mg', 'Ge', 'Cd', 'La'] | 30 | 751.5068 | 6.7415 | 2/m | C2/m | 12 | monoclinic | -68.4251 | -68.4251 | -0.3389 | -0.0254 | 3D | 0.0031 | true | 0.0009 | null | -0.0092 | -0.0051 | gs://crystal-design/output/borg/round_3_4/1e_3_med_0_common_84_nobal/Cd18Ge1La6Mg5/0 |
203 | Ho1Tc4Tm11 | 00176904b8 | HoTm11Tc4 | ['Tc', 'Ho', 'Tm'] | 16 | 409.4651 | 9.7946 | m | Pm | 6 | monoclinic | -97.6077 | -97.6077 | -0.1468 | -0.0537 | null | null | null | 0 | null | -0.0537 | -0.0532 | gs://crystal-design/output/borg/round_6_3/1e_3_med_0_common_84_nobal/Ho1Tc4Tm11/0 |
204 | Co17Ho6Si12W1 | 00176c3798 | Ho6Co17Si12W | ['Si', 'Co', 'Ho', 'W'] | 36 | 503.2587 | 8.2896 | mm2 | Pmm2 | 25 | orthorhombic | -251.3299 | -251.3299 | -0.6926 | -0.0129 | 3D | 0.0016 | true | -0 | null | -0.0126 | -0.004 | gs://crystal-design/output/borg/round_3_4/1e_3_med_0_common_84_nobal/Co17Ho6Si12W1/0 |
205 | C18Fe12Y11 | 00176cd839 | Y11(Fe2C3)6 | ['C', 'Fe', 'Y'] | 41 | 526.6229 | 5.8785 | -43m | I-43m | 217 | cubic | -350.9893 | -350.9893 | -0.2952 | -0.0578 | 3D | null | false | -0 | null | -0.0586 | -0.0584 | gs://crystal-design/output/borg/round_5_3/1e_3_med_0_common_84_nobal/C18Fe12Y11/0 |
206 | Cr1Pd2Pt4Ta1 | 00178dc38c | TaCr(PdPt2)2 | ['Cr', 'Pd', 'Ta', 'Pt'] | 8 | 124.9705 | 16.292 | mm2 | Pmm2 | 25 | orthorhombic | -59.6933 | -59.6933 | -0.4423 | -0.0209 | 3D | 0.0009 | true | 0 | null | -0.021 | -0.0099 | gs://crystal-design/output/borg/round_3_wy_3/1e_3_med_0_common_84_nobal/Cr1Pd2Pt4Ta1/0 |
207 | Er2Ir4Mg4Th3Y11 | 0017c022a0 | Y11Er2Th3(MgIr)4 | ['Mg', 'Y', 'Er', 'Ir', 'Th'] | 24 | 666.4842 | 7.1622 | m | Cm | 8 | monoclinic | -154.9423 | -154.9423 | -0.4613 | -0.0368 | intercalated ion | 0.0027 | true | 0.0009 | null | -0.0229 | -0.0223 | gs://crystal-design/output/borg/round_3_wy_updated_4/1e_2_med_0_common_84_nobal/Er2Ir4Mg4Th3Y11/0 |
208 | Dy5Pt16Sc12Tb3 | 0017ce1519 | Tb3Dy5(Sc3Pt4)4 | ['Sc', 'Tb', 'Dy', 'Pt'] | 36 | 754.5283 | 10.894 | 1 | P1 | 1 | triclinic | -252.4723 | -252.4723 | -1.178 | -0.0124 | 3D | 0.0028 | true | 0 | null | -0.0125 | -0.0089 | gs://crystal-design/output/borg/round_3_wy_3/1e_3_med_0_common_84_nobal/Dy5Pt16Sc12Tb3/0 |
209 | Al8N4Nb5Pt4Ti7 | 0017dec8dc | Ti7Nb5Al8(PtN)4 | ['N', 'Al', 'Ti', 'Nb', 'Pt'] | 28 | 398.2527 | 7.7213 | 1 | P1 | 1 | triclinic | -222.2768 | -223.7208 | -1.084 | -0.052 | 3D | 0.002 | true | 0 | null | -0.0517 | -0.0206 | gs://crystal-design/output/borg/round_3_wy_updated_4/1e_2_med_0_common_84_nobal/Al8N4Nb5Pt4Ti7/0 |
210 | Al2B4Co9Dy2Pr1 | 0017fb7256 | PrDy2Al2Co9B4 | ['B', 'Al', 'Co', 'Pr', 'Dy'] | 18 | 221.7662 | 8.188 | 6/mmm | P6/mmm | 191 | hexagonal | -121.1358 | -121.1358 | -0.4977 | -0.0257 | 3D | 0.0079 | true | 0 | null | -0.0257 | -0.0242 | gs://crystal-design/output/borg/round_3_wy_updated_4/1e_2_med_0_common_84_nobal/Al2B4Co9Dy2Pr1/0 |
211 | Er3Ru6Si10Tb1 | 0018123acb | TbEr3(Si5Ru3)2 | ['Si', 'Ru', 'Tb', 'Er'] | 20 | 326.6593 | 7.869 | m | Cm | 8 | monoclinic | -145.2127 | -144.5027 | -0.8133 | 0.0358 | null | null | null | 0.0003 | null | 0.0003 | 0.0003 | gs://crystal-design/output/borg/improved_wy_round_2_3/1e_3_med_0_common_84_nobal/Er3Ru6Si10Tb1/0 |
212 | Ni6Sc1W1 | 00183cbe80 | ScNi6W | ['Sc', 'Ni', 'W'] | 8 | 97.5093 | 9.8934 | -6m2 | P-6m2 | 187 | hexagonal | -56.1717 | -56.1717 | -0.275 | -0.0123 | 3D | 0.0067 | true | 0 | null | -0.0123 | -0.0092 | gs://crystal-design/output/borg/round_3_wy_2/1e_3_med_0_common_84_nobal/Ni6Sc1W1/0 |
213 | Ho2Lu1Mo4N12Y1 | 00184f19d1 | YHo2Lu(MoN3)4 | ['N', 'Y', 'Mo', 'Ho', 'Lu'] | 20 | 305.4118 | 6.2285 | 2 | C2 | 5 | monoclinic | -181.6936 | -186.0256 | -1.1226 | -0.0914 | 3D | 1.8128 | true | 0 | null | -0.0905 | -0.0223 | gs://crystal-design/output/borg/round_3_wy_updated_4/1e_2_med_0_common_84_nobal/Ho2Lu1Mo4N12Y1/0 |
214 | Co16Er1Ho3Li4P12 | 001860b980 | Li4Ho3Er(Co4P3)4 | ['Li', 'P', 'Co', 'Ho', 'Er'] | 36 | 449.9679 | 7.397 | m | Pm | 6 | monoclinic | -236.573 | -236.573 | -0.8866 | -0.0272 | intercalated ion | null | true | 0 | null | -0.0275 | -0.0253 | gs://crystal-design/output/borg/round_3_wy_updated_4/1e_2_med_0_common_84_nobal/Co16Er1Ho3Li4P12/0 |
215 | Co4Er4H4Sb4 | 00186f3ffa | ErCoSbH | ['H', 'Co', 'Sb', 'Er'] | 16 | 241.1849 | 9.6103 | mmm | Pnma | 62 | orthorhombic | -86.6994 | -88.1834 | -0.712 | -0.0301 | 3D | 0.002 | true | 0 | null | -0.0301 | -0.0285 | gs://crystal-design/output/borg/round_3_4/1e_3_med_0_common_84_nobal/Co4Er4H4Sb4/0 |
216 | Nd4Os1Pr6Ru3 | 00188e37cc | Pr6Nd4OsRu3 | ['Ru', 'Pr', 'Nd', 'Os'] | 14 | 404.0098 | 7.8744 | 1 | P1 | 1 | triclinic | -89.2917 | -89.2917 | -0.1774 | -0.0036 | 3D | 0.0013 | true | 0.0006 | null | -0.0036 | -0.0032 | gs://crystal-design/output/borg/round_3_wy_3/1e_3_med_0_common_84_nobal/Nd4Os1Pr6Ru3/0 |
217 | Er3Fe2Ho1Mn18P12 | 00189a3c17 | HoEr3Mn18(FeP6)2 | ['P', 'Mn', 'Fe', 'Ho', 'Er'] | 36 | 463.9934 | 7.6549 | m | Pm | 6 | monoclinic | -292.0702 | -292.0702 | -0.7491 | -0.0089 | 3D | null | true | 0.0009 | null | -0.0089 | -0.0065 | gs://crystal-design/output/borg/round_3_wy_updated_4/1e_2_med_0_common_84_nobal/Er3Fe2Ho1Mn18P12/0 |
218 | Ag2O14Pt4Sr2 | 001903554b | SrAgPt2O7 | ['O', 'Sr', 'Ag', 'Pt'] | 22 | 279.9641 | 8.2759 | mmm | Imma | 74 | orthorhombic | -121.9827 | -131.6006 | -1.319 | -0.1288 | null | null | null | 0 | null | -0.128 | -0.1188 | gs://surface-design/input/round_6_4/1e_3_med_0_common_84_nobal/Ag2O14Pt4Sr2/1 |
219 | Ba12Bi3I8Sn1 | 00199dfe0d | Ba12SnBi3I8 | ['Sn', 'I', 'Ba', 'Bi'] | 24 | 1,128.9088 | 5.0141 | 2 | C2 | 5 | monoclinic | -82.434 | -85.466 | -1.4633 | -0.0635 | intercalated ion | 0.004 | true | 0 | null | -0.0404 | -0.0145 | gs://crystal-design/output/borg/round_3_wy_3/1e_3_med_0_common_84_nobal/Ba12Bi3I8Sn1/0 |
220 | Co6Ga18Ho2Y2 | 0019f303cb | YHo(Ga3Co)3 | ['Co', 'Ga', 'Y', 'Ho'] | 28 | 444.0728 | 7.9135 | mm2 | Amm2 | 38 | orthorhombic | -132.8948 | -132.8948 | -0.4872 | 0.0001 | 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/Co6Ga18Ho2Y2/0 |
221 | Li2Pd1Ru5Si4 | 001a04e401 | Li2Si4PdRu5 | ['Li', 'Si', 'Ru', 'Pd'] | 12 | 150.9956 | 8.1159 | 2/m | P2/m | 10 | monoclinic | -84.2522 | -83.9682 | -0.5743 | -0.0691 | null | null | null | 0 | null | -0.0695 | -0.058 | gs://surface-design/input/round_6_4/1e_3_med_0_common_84_nobal/Li2Pd1Ru5Si4/0 |
222 | Cd4Er6Ni2Tc2Tm10 | 001a5c230d | Er3Tm5Cd2TcNi | ['Ni', 'Tc', 'Cd', 'Er', 'Tm'] | 24 | 602.4166 | 9.5261 | mm2 | Imm2 | 44 | orthorhombic | -114.4582 | -114.4582 | -0.2634 | -0.0228 | 3D | 0.0017 | true | 0.0006 | null | -0.0228 | -0.0223 | gs://crystal-design/output/borg/round_3_wy_updated_4/1e_2_med_0_common_84_nobal/Cd4Er6Ni2Tc2Tm10/0 |
223 | Bi3Dy9Ho1Sn3 | 001a6119af | Dy9Ho(SnBi)3 | ['Sn', 'Dy', 'Ho', 'Bi'] | 16 | 460.9732 | 9.4037 | 1 | P1 | 1 | triclinic | -81.0731 | -81.0731 | -0.7175 | -0.0168 | 3D | 0.0009 | true | 0.0001 | null | -0.0075 | -0.0073 | gs://crystal-design/output/borg/round_3_wy_3/1e_3_med_0_common_84_nobal/Bi3Dy9Ho1Sn3/0 |
224 | Dy1Ho4O14Sb2Sm1 | 001a6fb094 | SmDyHo4(SbO7)2 | ['O', 'Sb', 'Sm', 'Dy', 'Ho'] | 22 | 297.4011 | 8.0408 | 2/m | C2/m | 12 | monoclinic | -171.1289 | -180.7469 | -3.4355 | -0.0119 | 3D | 2.7912 | false | 0 | null | -0.0117 | -0.0116 | gs://crystal-design/output/borg/round_3_wy_updated_4/1e_2_med_0_common_84_nobal/Dy1Ho4O14Sb2Sm1/0 |
225 | In4Se16Tc12 | 001aa9851c | InTc3Se4 | ['Se', 'Tc', 'In'] | 32 | 952.9049 | 5.0512 | 2/m | P2_1/c | 14 | monoclinic | -206.1179 | -213.6699 | -0.7 | -0.4495 | 3D | null | true | 0 | null | -0.4495 | -0.0467 | gs://crystal-design/output/borg/improved_mo_3/1e_3_med_0_common_84_nobal/In4Se16Tc12/0 |
226 | Ac7Au20Na6Th1 | 001aaaeeb0 | Na6Ac7ThAu20 | ['Na', 'Au', 'Ac', 'Th'] | 34 | 853.6096 | 11.4741 | 2 | C2 | 5 | monoclinic | -132.2293 | -132.2293 | -0.6626 | -0.0455 | intercalated ion | null | true | -0 | null | -0.0453 | -0.0448 | gs://crystal-design/output/borg/round_6_4/1e_3_med_0_common_84_nobal/Ac7Au20Na6Th1/0 |
227 | Co1Mo2Ti8 | 001ad01bfc | Ti8CoMo2 | ['Ti', 'Co', 'Mo'] | 11 | 176.7311 | 5.9546 | 2/m | C2/m | 12 | monoclinic | -93.3097 | -93.3097 | -0.1224 | -0.009 | 3D | 0.0024 | true | 0.0008 | null | -0.009 | -0.0068 | gs://crystal-design/output/borg/round_3_wy_2/1e_3_med_0_common_84_nobal/Co1Mo2Ti8/0 |
228 | Be2La3Si6Th1 | 001ae69045 | La3Th(BeSi3)2 | ['Be', 'Si', 'La', 'Th'] | 12 | 244.0024 | 5.6845 | mmm | Cmmm | 65 | orthorhombic | -70.3184 | -69.8923 | -0.6366 | -0.0842 | intercalated ion | 0.0056 | true | -0 | null | -0.0825 | -0.0338 | gs://crystal-design/output/borg/round_3_wy_3/1e_3_med_0_common_84_nobal/Be2La3Si6Th1/0 |
229 | Ge1Hg2Mg3Y3 | 001afe6bfb | Y3Mg3Hg2Ge | ['Mg', 'Ge', 'Y', 'Hg'] | 9 | 212.8836 | 6.3451 | -6 | P-6 | 174 | hexagonal | -33.842 | -33.842 | -0.5344 | -0.0646 | 3D | 0.0143 | true | 0 | null | -0.025 | -0.0046 | gs://crystal-design/output/borg/round_3_4/1e_3_med_0_common_84_nobal/Ge1Hg2Mg3Y3/0 |
230 | La4Pt16Tb1Tm15 | 001b1a1904 | La4TbTm15Pt16 | ['La', 'Tb', 'Tm', 'Pt'] | 36 | 837.7599 | 12.6259 | 1 | P1 | 1 | triclinic | -231.7985 | -231.7985 | -1.1985 | -0.0121 | null | null | null | 0 | null | -0.0121 | -0.0113 | gs://surface-design/input/round_6_4/1e_3_med_0_common_84_nobal/La4Pt16Tb1Tm15/0 |
231 | Ho2La4Nd4Ru4 | 001b59543e | La2Nd2HoRu2 | ['Ru', 'La', 'Nd', 'Ho'] | 14 | 398.2993 | 7.7825 | 2/m | C2/c | 15 | monoclinic | -89.1384 | -89.1384 | -0.29 | -0.0184 | 3D | 0.0031 | true | -0 | null | -0.0184 | -0.018 | gs://crystal-design/output/borg/round_3_wy_3/1e_3_med_0_common_84_nobal/Ho2La4Nd4Ru4/0 |
232 | Cu17Pt1Si8Sr2 | 001b5975e8 | Sr2Cu17Si8Pt | ['Si', 'Cu', 'Sr', 'Pt'] | 28 | 392.1411 | 7.0941 | m | Cm | 8 | monoclinic | -129.5165 | -129.5165 | -0.2492 | -0.0118 | intercalated ion | 0.0057 | true | 0 | null | -0.0137 | -0.0106 | gs://crystal-design/output/borg/improved_wy_round_2_3/1e_3_med_0_common_84_nobal/Cu17Pt1Si8Sr2/0 |
233 | Be8C2Co3Mo12Ni1 | 001b598461 | Be8Co3Ni(Mo6C)2 | ['Be', 'C', 'Co', 'Ni', 'Mo'] | 26 | 303.1195 | 8.1235 | -3m | R-3m | 166 | trigonal | -212.8376 | -212.8376 | -0.2774 | -0.066 | intercalated ion | 0.0014 | true | 0 | null | -0.0661 | -0.0658 | gs://crystal-design/output/borg/round_3_wy_updated_4/1e_2_med_0_common_84_nobal/Be8C2Co3Mo12Ni1/0 |
234 | Co5Dy10Sb1Tb1Y1 | 001b80daa6 | TbDy10YCo5Sb | ['Co', 'Y', 'Sb', 'Tb', 'Dy'] | 18 | 439.0478 | 8.6583 | m | Cm | 8 | monoclinic | -102.3142 | -102.5062 | -0.3148 | -0.0156 | 3D | null | true | 0 | null | -0.0156 | -0.0091 | gs://crystal-design/output/borg/round_5_5/1e_3_med_0_common_84_nobal/Co5Dy10Sb1Tb1Y1/0 |
235 | Dy10Hg3In5Pd4 | 001b82555a | Dy10In5Hg3Pd4 | ['Pd', 'In', 'Dy', 'Hg'] | 22 | 537.215 | 9.9733 | m | Pm | 6 | monoclinic | -96.4576 | -96.4576 | -0.6818 | -0.0062 | null | null | null | 0 | null | -0.0062 | -0.0055 | gs://surface-design/input/round_6_4/1e_3_med_0_common_84_nobal/Dy10Hg3In5Pd4/0 |
236 | As4Nb3V4Zr1 | 001bbd52ba | ZrNb3(VAs)4 | ['V', 'As', 'Zr', 'Nb'] | 12 | 189.5462 | 7.6515 | m | Pm | 6 | monoclinic | -101.1729 | -101.1729 | -0.6124 | -0.0079 | 3D | 0.0034 | true | 0 | null | -0.0079 | -0.001 | gs://crystal-design/output/borg/round_3_wy_3/1e_3_med_0_common_84_nobal/As4Nb3V4Zr1/0 |
237 | Ho1Tl5Y4 | 001bd8513b | Y4HoTl5 | ['Y', 'Ho', 'Tl'] | 10 | 276.5112 | 9.263 | 4/mmm | P4/mmm | 123 | tetragonal | -45.9316 | -45.9316 | -0.367 | -0.0084 | 3D | null | false | 0 | null | -0.0088 | -0.0031 | gs://crystal-design/output/borg/round_5_3/1e_3_med_0_common_84_nobal/Ho1Tl5Y4/0 |
238 | La4Si4Tb1Tm1 | 001bfc3301 | La4TbTmSi4 | ['Si', 'La', 'Tb', 'Tm'] | 10 | 267.2679 | 6.1871 | 4/m | P4/m | 83 | tetragonal | -57.3481 | -57.0641 | -0.6509 | -0.0147 | 3D | 0.001 | true | 0.0002 | null | -0.0143 | -0.014 | gs://crystal-design/output/borg/round_3_4/1e_3_med_0_common_84_nobal/La4Si4Tb1Tm1/0 |
239 | Al2B16Ho1Si4Tm7 | 001c094256 | HoTm7Al2(SiB4)4 | ['B', 'Al', 'Si', 'Ho', 'Tm'] | 30 | 380.8367 | 7.3546 | m | Cm | 8 | monoclinic | -190.8725 | -190.8725 | -0.6299 | -0.0153 | 3D | null | true | 0.0002 | null | -0.0152 | -0.0146 | gs://crystal-design/output/borg/round_3_wy_updated_4/1e_2_med_0_common_84_nobal/Al2B16Ho1Si4Tm7/0 |
240 | Cd6Li2Lu18Os2 | 001c0a1367 | LiLu9Cd3Os | ['Li', 'Cd', 'Lu', 'Os'] | 28 | 711.5775 | 9.8436 | 6/mmm | P6_3/mmc | 194 | hexagonal | -120.8235 | -120.8235 | -0.2725 | -0.043 | null | null | null | 0 | null | -0.0432 | -0.0429 | gs://surface-design/input/round_6_4/1e_3_med_0_common_84_nobal/Cd6Li2Lu18Os2/1 |
241 | Al16Er4Ga2Ir4Pd1Pt1 | 001c0ab7b6 | Er4Al16Ga2Ir4PdPt | ['Al', 'Ga', 'Pd', 'Er', 'Ir', 'Pt'] | 28 | 468.2371 | 8.1941 | 2/m | C2/m | 12 | monoclinic | -154.424 | -154.424 | -0.8415 | -0.1167 | null | null | null | 0.0004 | null | -0.1167 | -0.0979 | gs://crystal-design/output/borg/round_6_wy_5/1e_3_med_0_common_84_nobal/Al16Er4Ga2Ir4Pd1Pt1/0 |
242 | Al24Er6Os6Rh2 | 001c0b2fab | Er3Al12Os3Rh | ['Al', 'Rh', 'Er', 'Os'] | 38 | 638.8306 | 7.7936 | 2/m | C2/m | 12 | monoclinic | -224.0193 | -224.0193 | -0.6481 | -0.0053 | 3D | 0.0007 | true | 0 | null | -0.0053 | -0.0032 | gs://crystal-design/output/borg/round_3_wy_3/1e_3_med_0_common_84_nobal/Al24Er6Os6Rh2/0 |
243 | Ho1Ir15P12Sc4Tc4 | 001c4043b6 | HoSc4Tc4(P4Ir5)3 | ['P', 'Sc', 'Tc', 'Ho', 'Ir'] | 36 | 539.8689 | 12.2777 | m | Pm | 6 | monoclinic | -299.3267 | -299.3267 | -0.8454 | -0.0861 | 3D | 0.0067 | true | 0.0004 | null | -0.0861 | -0.0596 | gs://crystal-design/output/borg/round_3_wy_updated_4/1e_2_med_0_common_84_nobal/Ho1Ir15P12Sc4Tc4/0 |
244 | I2Se16Ta2V2 | 001c5d4117 | TaVSe8I | ['V', 'Se', 'I', 'Ta'] | 22 | 618.4015 | 5.3193 | 422 | I422 | 97 | tetragonal | -111.2978 | -119.6078 | -0.8565 | -0.0671 | intercalated ion | 0.0266 | true | -0 | null | -0.0079 | -0.0077 | gs://crystal-design/output/borg/improved_wy_3/1e_3_med_0_common_84_nobal/I2Se16Ta2V2/0 |
245 | Ca1Er3Ho2Ru8Si24 | 001cb98e8c | CaHo2Er3(Si3Ru)8 | ['Si', 'Ca', 'Ru', 'Ho', 'Er'] | 38 | 612.1104 | 6.3868 | 2 | C2 | 5 | monoclinic | -253.0863 | -253.0863 | -0.6266 | -0.0076 | null | null | null | 0 | null | -0.0416 | -0.0384 | gs://crystal-design/output/borg/round_3_wy_updated_4/1e_2_med_0_common_84_nobal/Ca1Er3Ho2Ru8Si24/0 |
246 | Er8Lu2Pb6Si2 | 001d12e2bb | Er4LuSiPb3 | ['Si', 'Er', 'Lu', 'Pb'] | 18 | 476.452 | 10.4117 | -3m | P-31m | 162 | trigonal | -89.1157 | -89.1157 | -0.5781 | -0.02 | 3D | 0.0112 | true | 0.0001 | null | -0.0199 | -0.0195 | gs://crystal-design/output/borg/round_3_wy_3/1e_3_med_0_common_84_nobal/Er8Lu2Pb6Si2/0 |
247 | Er8Hg1Nb1Si16Ti10 | 001d6331e2 | Er8Ti10NbSi16Hg | ['Si', 'Ti', 'Nb', 'Er', 'Hg'] | 36 | 639.5965 | 6.6453 | 2 | C2 | 5 | monoclinic | -240.6005 | -240.6005 | -0.7748 | -0.0207 | 3D | null | false | 0 | null | -0.0202 | -0.0176 | gs://crystal-design/output/borg/round_3_wy_updated_4/1e_2_med_0_common_84_nobal/Er8Hg1Nb1Si16Ti10/0 |
248 | Co19Dy4P12Tc1 | 001d67fa4a | Dy4Co19TcP12 | ['P', 'Co', 'Tc', 'Dy'] | 36 | 442.2841 | 8.4078 | m | Pm | 6 | monoclinic | -259.4536 | -259.4536 | -0.8513 | -0.0177 | 3D | null | false | 0.0005 | null | -0.0177 | -0.0173 | gs://crystal-design/output/borg/round_3_wy_3/1e_3_med_0_common_84_nobal/Co19Dy4P12Tc1/0 |
249 | Co6Ni12P12Sc6 | 001d7b3a1d | ScCo(NiP)2 | ['P', 'Sc', 'Co', 'Ni'] | 36 | 451.9851 | 6.2432 | mmm | Pmmn | 59 | orthorhombic | -249.0323 | -249.0323 | -0.9463 | -0.0362 | 3D | 0.0035 | true | -0 | null | -0.0362 | -0.036 | gs://crystal-design/output/borg/round_3_4/1e_3_med_0_common_84_nobal/Co6Ni12P12Sc6/0 |
250 | Nd8Ru4Tm1Y1 | 001d7c194a | Nd8YTmRu4 | ['Y', 'Ru', 'Nd', 'Tm'] | 14 | 390.7514 | 7.7175 | 2 | C2 | 5 | monoclinic | -89.6993 | -89.6993 | -0.251 | -0.0015 | 3D | 0.0012 | true | 0.0001 | null | -0.0015 | -0.0009 | gs://crystal-design/output/borg/round_3_wy_3/1e_3_med_0_common_84_nobal/Nd8Ru4Tm1Y1/0 |
251 | B4Ga2Lu1Rh10Tb3 | 001d887aa6 | Tb3LuGa2(B2Rh5)2 | ['B', 'Ga', 'Rh', 'Tb', 'Lu'] | 20 | 288.6708 | 10.7195 | mm2 | Amm2 | 38 | orthorhombic | -141.3928 | -141.3928 | -0.8276 | -0.0413 | 3D | 0.0092 | true | 0 | null | -0.0412 | -0.0393 | gs://crystal-design/output/borg/round_3_wy_updated_4/1e_2_med_0_common_84_nobal/B4Ga2Lu1Rh10Tb3/0 |
252 | Al2Au1Pd2Pt1Th3 | 001daca0f7 | Th3Al2Pd2PtAu | ['Al', 'Pd', 'Pt', 'Au', 'Th'] | 9 | 195.8262 | 11.4897 | m | Pm | 6 | monoclinic | -57.7462 | -57.7462 | -0.9232 | -0.0216 | 3D | 0.0048 | true | 0 | null | -0.0216 | -0.0198 | gs://crystal-design/output/borg/round_3_wy_updated_4/1e_2_med_0_common_84_nobal/Al2Au1Pd2Pt1Th3/0 |
253 | Dy3F28Ge1Pt3Y1 | 001db18a66 | Dy3YGePt3F28 | ['F', 'Ge', 'Y', 'Dy', 'Pt'] | 36 | 515.9106 | 5.685 | 1 | P1 | 1 | triclinic | -194.1597 | -207.0957 | -3.071 | -0.0134 | 3D | null | false | 0.001 | null | -0.0111 | -0.0111 | gs://crystal-design/output/borg/round_3_wy_updated_4/1e_2_med_0_common_84_nobal/Dy3F28Ge1Pt3Y1/0 |
254 | Ga2Lu3Pt4 | 001db652e0 | Lu3(GaPt2)2 | ['Ga', 'Lu', 'Pt'] | 9 | 171.7388 | 13.9686 | mm2 | Amm2 | 38 | orthorhombic | -54.2934 | -54.2934 | -1.1544 | -0.0272 | 3D | 0.0122 | true | 0.0003 | null | -0.0272 | -0.0047 | gs://crystal-design/output/borg/round_3_4/1e_3_med_0_common_84_nobal/Ga2Lu3Pt4/0 |
255 | Dy1Gd3O14Ta2Tm2 | 001dcc89df | Gd3DyTm2Ta2O14 | ['O', 'Gd', 'Dy', 'Tm', 'Ta'] | 22 | 298.8831 | 8.656 | 1 | P1 | 1 | triclinic | -224.0699 | -233.6879 | -3.8578 | -0.0018 | 3D | 2.9855 | true | 0.0001 | null | -0.0086 | -0.004 | gs://crystal-design/output/borg/round_3_wy_updated_4/1e_2_med_0_common_84_nobal/Dy1Gd3O14Ta2Tm2/0 |
256 | Pr8Rh1Si15 | 001dce616a | Pr8Si15Rh | ['Si', 'Rh', 'Pr'] | 24 | 500.2573 | 5.4818 | -6m2 | P-6m2 | 187 | hexagonal | -143.3618 | -143.3618 | -0.6821 | -0.0547 | 3D | 0.0047 | true | 0 | null | -0.0601 | -0.05 | gs://crystal-design/output/borg/round_3_4/1e_3_med_0_common_84_nobal/Pr8Rh1Si15/0 |
257 | Cs4Mg2Se8Ti2 | 001de430cb | Cs2MgTiSe4 | ['Mg', 'Ti', 'Se', 'Cs'] | 16 | 611.2849 | 3.5522 | mmm | Fddd | 70 | orthorhombic | -70.8922 | -74.6682 | -1.5202 | -0.161 | intercalated ion | 1.7973 | true | 0 | null | -0.1516 | -0.0077 | gs://crystal-design/output/borg/round_3_4/1e_3_med_0_common_84_nobal/Cs4Mg2Se8Ti2/0 |
258 | B2Cl15Sm10 | 001e54b78c | Sm10B2Cl15 | ['B', 'Cl', 'Sm'] | 27 | 755.4958 | 4.5212 | -1 | P-1 | 2 | triclinic | -136.507 | -145.717 | -2.1276 | -0.0995 | 3D | 0.0093 | true | -0 | null | -0.0995 | -0.0499 | gs://crystal-design/output/borg/round_2_mo_3/1e_3_med_0_common_84_nobal/B2Cl15Sm10/0 |
259 | Co4Rh1Sn1Tb11Tm1 | 001e64ec82 | Tb11TmCo4SnRh | ['Co', 'Rh', 'Sn', 'Tb', 'Tm'] | 18 | 443.008 | 8.9003 | m | Cm | 8 | monoclinic | -101.6996 | -101.6996 | -0.3577 | -0.0275 | 3D | 0.0017 | true | 0 | null | -0.0275 | -0.0249 | gs://crystal-design/output/borg/round_3_wy_updated_4/1e_2_med_0_common_84_nobal/Co4Rh1Sn1Tb11Tm1/0 |
260 | Cs4Ge4La1Nd3Se16 | 001e7a0d7b | Cs4LaNd3(GeSe4)4 | ['Ge', 'Se', 'Cs', 'La', 'Nd'] | 28 | 947.0502 | 4.659 | 1 | P1 | 1 | triclinic | -129.9112 | -137.4632 | -1.4511 | -0.0469 | intercalated ion | 1.6679 | true | 0 | null | -0.0325 | -0.0299 | gs://crystal-design/output/borg/round_3_wy_updated_4/1e_2_med_0_common_84_nobal/Cs4Ge4La1Nd3Se16/0 |
261 | Sc11Si16Sm5Tb3Tc1 | 001e7e3bf4 | Tb3Sm5Sc11Si16Tc | ['Si', 'Sc', 'Tc', 'Sm', 'Tb'] | 36 | 732.1859 | 5.1492 | 1 | P1 | 1 | triclinic | -233.1198 | -233.1198 | -0.8 | -0.0227 | 3D | 0.0018 | true | 0.0007 | null | -0.0237 | -0.0219 | gs://crystal-design/output/borg/round_3_wy_updated_4/1e_2_med_0_common_84_nobal/Sc11Si16Sm5Tb3Tc1/0 |
262 | B24Ca2Ce2Lu4Ru4 | 001e89a085 | CaCeLu2(B6Ru)2 | ['B', 'Ca', 'Ru', 'Ce', 'Lu'] | 36 | 381.9971 | 7.4942 | 2/m | P2/m | 10 | monoclinic | -254.474 | -254.474 | -0.6419 | -0.0207 | intercalated ion | 0.0045 | true | 0 | null | -0.0207 | -0.015 | gs://crystal-design/output/borg/round_3_wy_updated_4/1e_2_med_0_common_84_nobal/B24Ca2Ce2Lu4Ru4/0 |
263 | Bi8Co4Dy3Er5Tb12 | 001ecd2f68 | Tb12Dy3Er5(CoBi2)4 | ['Co', 'Tb', 'Dy', 'Er', 'Bi'] | 32 | 891.8314 | 9.5675 | 1 | P1 | 1 | triclinic | -169.5804 | -169.5804 | -0.5672 | -0.0153 | 3D | 0.0037 | false | 0.0001 | null | -0.0029 | -0.0024 | gs://crystal-design/output/borg/round_3_wy_updated_4/1e_2_med_0_common_84_nobal/Bi8Co4Dy3Er5Tb12/0 |
264 | Er2Os5Ru3Tb2 | 001ee8d5b1 | Tb2Er2Os5Ru3 | ['Ru', 'Tb', 'Er', 'Os'] | 12 | 215.928 | 14.6632 | m | Cm | 8 | monoclinic | -106.4068 | -106.4068 | -0.3369 | -0.0126 | 3D | 0.0015 | true | 0.0009 | null | -0.0126 | -0.0069 | gs://crystal-design/output/borg/round_3_wy_3/1e_3_med_0_common_84_nobal/Er2Os5Ru3Tb2/0 |
265 | Co4Dy3Er6Tb3 | 001fb3dc40 | Tb3Dy3(Er3Co2)2 | ['Co', 'Tb', 'Dy', 'Er'] | 16 | 399.9104 | 9.1498 | 1 | P1 | 1 | triclinic | -86.2556 | -86.2556 | -0.1683 | -0.0031 | 3D | 0.0001 | true | 0.0003 | null | -0.0031 | -0.0007 | gs://crystal-design/output/borg/round_3_wy_3/1e_3_med_0_common_84_nobal/Co4Dy3Er6Tb3/0 |
266 | La3Li4Pr1Si8 | 001fe2d64e | Li4La3PrSi8 | ['Li', 'Si', 'La', 'Pr'] | 16 | 327.1918 | 4.1112 | m | Pm | 6 | monoclinic | -80.4016 | -79.8336 | -0.5747 | -0.0415 | intercalated ion | 0.017 | true | 0 | null | -0.0418 | -0.0387 | gs://crystal-design/output/borg/round_3_4/1e_3_med_0_common_84_nobal/La3Li4Pr1Si8/0 |
267 | Gd4Mo2N8W2 | 002039be5c | Gd2MoWN4 | ['N', 'Mo', 'Gd', 'W'] | 16 | 198.8697 | 10.86 | 2/m | P2_1/m | 11 | monoclinic | -187.5939 | -190.4819 | -1.2373 | -0.0873 | 3D | 0.0049 | true | 0 | null | -0.0913 | -0.0478 | gs://crystal-design/output/borg/round_3_wy_3/1e_3_med_0_common_84_nobal/Gd4Mo2N8W2/0 |
268 | Bi4Co4Nd20Sn4 | 0020430af5 | Nd5CoSnBi | ['Co', 'Sn', 'Nd', 'Bi'] | 32 | 957.4348 | 7.6855 | 1 | P1 | 1 | triclinic | -172.2452 | -172.2452 | -0.5328 | -0.016 | 3D | 0.0013 | true | 0 | null | -0.0098 | -0.009 | gs://crystal-design/output/borg/round_3_wy_3/1e_3_med_0_common_84_nobal/Bi4Co4Nd20Sn4/0 |
269 | Nd1Ru3U1Y1 | 00205026a8 | NdYURu3 | ['Y', 'Ru', 'Nd', 'U'] | 6 | 120.8427 | 10.6411 | 3m | R3m | 160 | trigonal | -52.8584 | -52.8584 | -0.4182 | -0.1294 | 3D | 0.0039 | true | 0 | null | -0.1294 | -0.1212 | gs://crystal-design/output/borg/round_3_repeat_wy_3/1e_3_med_0_common_84_nobal/Nd1Ru3U1Y1/0 |
270 | Hf2Tc4V8Zr4 | 00208a7b01 | HfZr2(V2Tc)2 | ['V', 'Zr', 'Tc', 'Hf'] | 18 | 301.9085 | 8.368 | 1 | P1 | 1 | triclinic | -172.879 | -172.879 | -0.2589 | -0.0685 | 3D | 0.0003 | true | 0.0001 | null | -0.0685 | -0.0373 | gs://crystal-design/output/borg/round_3_wy_3/1e_3_med_0_common_84_nobal/Hf2Tc4V8Zr4/0 |
271 | Au4In9Lu11 | 002097106a | Lu11In9Au4 | ['In', 'Lu', 'Au'] | 24 | 580.9197 | 10.7074 | mmm | Cmmm | 65 | orthorhombic | -101.5036 | -101.5036 | -0.5797 | -0.0197 | 3D | 0.0011 | true | 0 | null | -0.0196 | -0.0107 | gs://crystal-design/output/borg/round_3_3/1e_3_med_0_common_84_nobal/Au4In9Lu11/0 |
272 | Ge1Ir2P2Ru1Sc3 | 0020d48a1f | Sc3GeP2Ir2Ru | ['P', 'Sc', 'Ge', 'Ru', 'Ir'] | 9 | 141.3965 | 8.8661 | mm2 | Amm2 | 38 | orthorhombic | -71.5457 | -71.5457 | -1.1391 | -0.0273 | 3D | 0.0131 | true | 0 | null | -0.0167 | -0.013 | gs://crystal-design/output/borg/round_3_wy_updated_4/1e_2_med_0_common_84_nobal/Ge1Ir2P2Ru1Sc3/0 |
273 | Au1Sc11Si16Tm2Y6 | 0021073b0a | Y6Tm2Sc11Si16Au | ['Si', 'Sc', 'Y', 'Tm', 'Au'] | 36 | 725.9724 | 4.6025 | 1 | P1 | 1 | triclinic | -237.2056 | -237.2056 | -0.8255 | -0.0251 | 3D | null | true | 0.0003 | null | -0.0245 | -0.0245 | gs://crystal-design/output/borg/round_3_wy_updated_4/1e_2_med_0_common_84_nobal/Au1Sc11Si16Tm2Y6/0 |
274 | B24Sc7Tc4U1 | 002154846c | Sc7U(TcB6)4 | ['B', 'Sc', 'Tc', 'U'] | 36 | 353.5351 | 5.656 | m | Pm | 6 | monoclinic | -284.3936 | -284.3936 | -0.7508 | -0.0659 | 3D | 0.0009 | true | 0 | null | -0.0659 | -0.0219 | gs://crystal-design/output/borg/round_3_wy_3/1e_3_med_0_common_84_nobal/B24Sc7Tc4U1/0 |
275 | Cr4Mn8N4Nb2Ta10 | 002155d205 | Ta5Mn4Nb(CrN)2 | ['N', 'Cr', 'Mn', 'Nb', 'Ta'] | 28 | 371.2005 | 12.0729 | -42m | I-4m2 | 119 | tetragonal | -298.2123 | -299.6563 | -0.5579 | -0.022 | 3D | null | true | 0.0007 | null | -0.0217 | -0.0209 | gs://crystal-design/output/borg/round_3_wy_updated_4/1e_2_med_0_common_84_nobal/Cr4Mn8N4Nb2Ta10/0 |
276 | Al6Mo3Ru12Ti3 | 00216b926e | TiAl2MoRu4 | ['Al', 'Ti', 'Mo', 'Ru'] | 24 | 342.6733 | 8.7523 | mmm | Pmmm | 47 | orthorhombic | -204.6847 | -204.6847 | -0.6123 | -0.051 | 3D | 0.0025 | true | 0 | null | -0.051 | -0.0432 | gs://crystal-design/output/borg/round_3_wy_3/1e_3_med_0_common_84_nobal/Al6Mo3Ru12Ti3/0 |
277 | Hg8Pd4Sc3Tb7 | 0021797580 | Tb7Sc3(Hg2Pd)4 | ['Sc', 'Pd', 'Tb', 'Hg'] | 22 | 511.1572 | 10.648 | m | Pm | 6 | monoclinic | -88.5578 | -88.5578 | -0.635 | -0.018 | null | null | null | 0 | null | -0.018 | -0.0133 | gs://surface-design/input/round_6_4/1e_3_med_0_common_84_nobal/Hg8Pd4Sc3Tb7/1 |
278 | Nd5Pr1Sn6Tm4 | 00218f3a9d | PrNd5(Tm2Sn3)2 | ['Sn', 'Pr', 'Nd', 'Tm'] | 16 | 481.3343 | 7.7626 | mm2 | Amm2 | 38 | orthorhombic | -81.7633 | -81.7633 | -0.6988 | -0.0078 | 3D | 0.0219 | true | 0.0002 | null | -0.0078 | -0.0072 | gs://crystal-design/output/borg/round_3_wy_3/1e_3_med_0_common_84_nobal/Nd5Pr1Sn6Tm4/0 |
279 | Cu14Ga12Sr2 | 0021d53210 | SrGa6Cu7 | ['Cu', 'Ga', 'Sr'] | 28 | 427.2385 | 7.3908 | mmm | Ibam | 72 | orthorhombic | -103.8884 | -103.8884 | -0.2423 | -0.0365 | null | null | null | -0 | null | -0.0362 | -0.0318 | gs://surface-design/input/round_6_3/1e_3_med_0_common_84_nobal/Cu14Ga12Sr2/0 |
280 | Ir1Mg1Pd2Pr3Zn2 | 0021f87515 | Pr3MgZn2IrPd2 | ['Mg', 'Zn', 'Pd', 'Pr', 'Ir'] | 9 | 198.1147 | 8.2384 | m | Pm | 6 | monoclinic | -43.4965 | -43.4965 | -0.6593 | -0.0411 | 3D | 0.0076 | true | 0 | null | -0.0327 | -0.0069 | gs://crystal-design/output/borg/round_3_wy_updated_4/1e_2_med_0_common_84_nobal/Ir1Mg1Pd2Pr3Zn2/0 |
281 | Ho5Mo2O12Tm1 | 0021fb3784 | Ho5Tm(MoO6)2 | ['O', 'Mo', 'Ho', 'Tm'] | 20 | 287.1079 | 7.9668 | 1 | P1 | 1 | triclinic | -164.0429 | -178.6909 | -3.5126 | -0.0245 | 3D | 2.8217 | true | 0.0002 | null | -0.0243 | -0.0186 | gs://crystal-design/output/borg/round_3_wy_3/1e_3_med_0_common_84_nobal/Ho5Mo2O12Tm1/0 |
282 | Er4Ho2Rh4Tm6 | 0021ff2864 | HoEr2Tm3Rh2 | ['Rh', 'Ho', 'Er', 'Tm'] | 16 | 414.4549 | 9.7124 | 2 | P2_1 | 4 | monoclinic | -92.5984 | -92.5984 | -0.5532 | -0.0219 | 3D | 0.003 | true | 0.0006 | null | -0.0219 | -0.0003 | gs://crystal-design/output/borg/round_3_wy_3/1e_3_med_0_common_84_nobal/Er4Ho2Rh4Tm6/0 |
283 | Np2Rb4S30 | 0022361ad4 | Rb2NpS15 | ['S', 'Rb', 'Np'] | 36 | 1,117.4868 | 2.6418 | m | Cc | 9 | monoclinic | -168.7599 | -183.8499 | -0.8316 | -0.1712 | intercalated ion | null | true | 0.0005 | null | -0.1716 | -0.1715 | gs://crystal-design/output/borg/round_5_3/1e_3_med_0_common_84_nobal/Np2Rb4S30/0 |
284 | Eu2F10Ho1Y1 | 002241c92d | Eu2YHoF10 | ['F', 'Y', 'Eu', 'Ho'] | 14 | 198.0403 | 6.2698 | 2 | C2 | 5 | monoclinic | -106.2471 | -110.8671 | -4.2992 | -0.0131 | 3D | 0.8118 | true | 0.0001 | null | -0.0081 | -0.0055 | gs://crystal-design/output/borg/round_3_wy_3/1e_3_med_0_common_84_nobal/Eu2F10Ho1Y1/0 |
285 | Ir12La16Lu3Y1 | 0022834a97 | La16Y(LuIr4)3 | ['Y', 'La', 'Lu', 'Ir'] | 32 | 845.4445 | 10.1012 | -4 | P-4 | 81 | tetragonal | -228.4968 | -228.4968 | -0.7322 | -0.0185 | 3D | 0.0007 | true | 0 | null | -0.0185 | -0.012 | gs://crystal-design/output/borg/round_3_wy_3/1e_3_med_0_common_84_nobal/Ir12La16Lu3Y1/0 |
286 | In3Se25 | 0022c4394c | In3Se25 | ['Se', 'In'] | 28 | 766.4548 | 5.023 | m | Pm | 6 | monoclinic | -96.0101 | -107.8101 | -0.4342 | -0.2194 | 1D | 0.002 | true | 0 | null | -0.2194 | -0.2194 | gs://crystal-design/output/borg/round_3_mp_stable_2/1e_3_med_0_common_84_nobal/In3Se25/0 |
287 | Co6Th12Tm2 | 0022cfc4be | Tm(Th2Co)3 | ['Co', 'Tm', 'Th'] | 20 | 501.3627 | 11.5124 | 6mm | P6_3mc | 186 | hexagonal | -145.7568 | -145.7568 | -0.2594 | -0.0171 | 3D | 0.0011 | true | 0 | null | -0.0171 | -0.011 | gs://crystal-design/output/borg/improved_wy_round_2_2/1e_3_med_0_common_84_nobal/Co6Th12Tm2/0 |
288 | Ba2Fe4Mn8O24 | 0022dece73 | BaMn4(FeO6)2 | ['O', 'Mn', 'Fe', 'Ba'] | 38 | 447.3164 | 4.9058 | 1 | P1 | 1 | triclinic | -266.6411 | -305.4971 | -1.9937 | -0.0213 | intercalated ion | 0.5316 | true | 0.0009 | null | -0.0211 | -0.0208 | gs://crystal-design/output/borg/improved_wy_round_2_3/1e_3_med_0_common_84_nobal/Ba2Fe4Mn8O24/0 |
289 | Dy6I12Si2Tm2 | 0022e4be59 | Dy3TmSiI6 | ['Si', 'I', 'Dy', 'Tm'] | 22 | 862.9597 | 5.5647 | 2/m | P2/m | 10 | monoclinic | -93.3078 | -97.8558 | -1.4878 | -0.1226 | 3D | 0.0011 | true | 0.0002 | null | -0.0949 | -0.0427 | gs://crystal-design/output/borg/round_3_wy_3/1e_3_med_0_common_84_nobal/Dy6I12Si2Tm2/0 |
290 | C1Mg1Sc3 | 0023476fdb | MgSc3C | ['C', 'Mg', 'Sc'] | 5 | 98.2414 | 2.8935 | m-3m | Pm-3m | 221 | cubic | -31.3243 | -31.3243 | -0.3192 | -0.0492 | intercalated ion | 0.0102 | true | 0 | null | -0.0333 | -0 | gs://crystal-design/output/borg/round_3_repeat_wy_2/1e_3_med_0_common_84_nobal/C1Mg1Sc3/0 |
291 | B24Pu4Re4Sc4 | 002354397c | PuScReB6 | ['B', 'Sc', 'Re', 'Pu'] | 36 | 368.5133 | 9.7336 | mmm | Pbam | 55 | orthorhombic | -316.8618 | -316.8618 | -0.6771 | -0.0557 | 3D | 0.0004 | true | 0 | null | -0.0557 | -0.0555 | gs://crystal-design/output/borg/round_3_4/1e_3_med_0_common_84_nobal/B24Pu4Re4Sc4/0 |
292 | Co3Fe1Ho12Mg4Th4 | 00236161c1 | Ho12Th4Mg4FeCo3 | ['Mg', 'Fe', 'Co', 'Ho', 'Th'] | 24 | 625.5394 | 8.5933 | 3m | R3m | 160 | trigonal | -124.9004 | -124.9004 | -0.1855 | -0.0447 | intercalated ion | 0.0034 | true | 0 | null | -0.0311 | -0.0311 | gs://crystal-design/output/borg/round_3_wy_updated_4/1e_2_med_0_common_84_nobal/Co3Fe1Ho12Mg4Th4/0 |
293 | Cd3I2Nd3O14 | 0023a90dab | Nd3Cd3(IO7)2 | ['O', 'Cd', 'I', 'Nd'] | 22 | 318.4013 | 6.5074 | m | Pm | 6 | monoclinic | -124.2707 | -133.8887 | -2.028 | -0.0664 | 3D | 0.004 | true | 0 | null | -0.0616 | -0.0616 | gs://crystal-design/output/borg/round_3_4/1e_3_med_0_common_84_nobal/Cd3I2Nd3O14/0 |
294 | Er4Ho1Lu3Sb20 | 0023ab5ece | HoEr4Lu3Sb20 | ['Sb', 'Ho', 'Er', 'Lu'] | 28 | 783.8461 | 8.0375 | m | Pm | 6 | monoclinic | -135.4754 | -139.3154 | -0.7257 | -0.0546 | 3D | 0.0031 | false | 0.0007 | null | -0.0546 | -0.0532 | gs://crystal-design/output/borg/round_3_wy_3/1e_3_med_0_common_84_nobal/Er4Ho1Lu3Sb20/0 |
295 | Co1Os3Pm2 | 0023f1fb96 | Pm2CoOs3 | ['Co', 'Pm', 'Os'] | 6 | 109.2042 | 13.9836 | -3m | R-3m | 166 | trigonal | -51.1586 | -51.1586 | -0.1445 | -0.1445 | 3D | 0.0036 | true | 0 | null | -0.1445 | -0.1445 | gs://crystal-design/output/borg/round_3_3/1e_3_med_0_common_84_nobal/Co1Os3Pm2/0 |
296 | Br18Cu3Er3 | 00241debcc | ErCuBr6 | ['Cu', 'Br', 'Er'] | 24 | 877.3626 | 4.0326 | 1 | P1 | 1 | triclinic | -79.3347 | -88.9467 | -1.458 | -1.2088 | 2D | null | true | 0 | null | -1.1429 | -0.7177 | gs://crystal-design/output/borg/round_5_3/1e_3_med_0_common_84_nobal/Br18Cu3Er3/1 |
297 | Ag2Bi4Ca1Th1 | 002426b328 | CaTh(AgBi2)2 | ['Ca', 'Ag', 'Bi', 'Th'] | 8 | 223.8875 | 9.8182 | 4mm | P4mm | 99 | tetragonal | -33.9519 | -33.9519 | -0.4382 | -0.0329 | null | null | null | 0 | null | -0.0082 | -0.0058 | gs://crystal-design/output/borg/round_6_4/1e_3_med_0_common_84_nobal/Ag2Bi4Ca1Th1/1 |
298 | La1Nd2Pr1Rh8Sn16 | 00243e44b2 | LaPrNd2(Sn2Rh)8 | ['Rh', 'Sn', 'La', 'Pr', 'Nd'] | 28 | 620.04 | 8.8134 | m | Pm | 6 | monoclinic | -160.1792 | -160.1792 | -0.6378 | 0.0001 | null | null | null | 0.0003 | null | 0.0001 | 0.0003 | gs://crystal-design/output/borg/round_3_wy_updated_4/1e_2_med_0_common_84_nobal/La1Nd2Pr1Rh8Sn16/0 |
299 | Bi6O14Pu2 | 0024758e5b | PuBi3O7 | ['O', 'Bi', 'Pu'] | 22 | 360.0707 | 9.066 | -1 | P-1 | 2 | triclinic | -159.9506 | -169.5686 | -2.2153 | -0.0615 | 3D | 0.0012 | true | 0 | null | -0.0479 | -0.0478 | gs://crystal-design/output/borg/improved_wy_repeat_2/1e_3_med_0_common_84_nobal/Bi6O14Pu2/0 |
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