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{
"id": "mp-1103177",
"created_at": "2022-09-04T14:42:19.148538Z",
"structure_string": "Fe4 Se8\n1.0\n5.788550 0.000000 0.000000\n0.000000 5.788550 0.000000\n0.000000 0.000000 5.788550\nFe Se\n4 8\ndirect\n0.500000 0.500000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.500000 0.500000 Fe\n0.000000 0.000000 0.000000 Fe\n0.125130 0.874870 0.374870 Se\n0.874870 0.374870 0.125130 Se\n0.374870 0.125130 0.874870 Se\n0.625130 0.625130 0.625130 Se\n0.874870 0.125130 0.625130 Se\n0.125130 0.625130 0.874870 Se\n0.625130 0.874870 0.125130 Se\n0.374870 0.374870 0.374870 Se\n",
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{
"id": "mp-1103178",
"created_at": "2022-09-04T14:40:18.746066Z",
"structure_string": "Cs2 Nd2 Cd2 Te6\n1.0\n4.629762 0.000000 0.000000\n-2.314881 8.677243 0.000000\n0.000000 0.000000 12.139274\nCs Nd Cd Te\n2 2 2 6\ndirect\n0.747440 0.494880 0.750000 Cs\n0.252560 0.505120 0.250000 Cs\n0.000000 0.000000 0.000000 Nd\n0.000000 0.000000 0.500000 Nd\n0.461391 0.922782 0.750000 Cd\n0.538609 0.077218 0.250000 Cd\n0.376888 0.753776 0.948522 Te\n0.623112 0.246224 0.051478 Te\n0.376888 0.753776 0.551478 Te\n0.623112 0.246224 0.448522 Te\n0.064337 0.128674 0.750000 Te\n0.935663 0.871326 0.250000 Te\n",
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{
"id": "mp-1103180",
"created_at": "2022-09-04T14:43:12.480654Z",
"structure_string": "Ta4 P4 Ru4\n1.0\n3.736005 0.000000 0.000000\n0.000000 6.335596 0.000000\n0.000000 0.000000 7.207608\nTa P Ru\n4 4 4\ndirect\n0.250000 0.023780 0.828958 Ta\n0.250000 0.523780 0.671042 Ta\n0.750000 0.976220 0.171042 Ta\n0.750000 0.476220 0.328958 Ta\n0.250000 0.768045 0.374968 P\n0.250000 0.268045 0.125032 P\n0.750000 0.231955 0.625032 P\n0.750000 0.731955 0.874968 P\n0.250000 0.145470 0.436253 Ru\n0.250000 0.645470 0.063747 Ru\n0.750000 0.854530 0.563747 Ru\n0.750000 0.354530 0.936253 Ru\n",
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"formula_full": "Ta4 P4 Ru4",
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"formula_anonymous": "ABC",
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"spacegroup": 62
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{
"id": "mp-1103182",
"created_at": "2022-09-04T14:46:05.326827Z",
"structure_string": "Zn2 Ni6 B4\n1.0\n0.000000 -2.889058 0.000000\n-4.737532 1.444529 0.000000\n1.654338 0.000000 -8.273647\nZn Ni B\n2 6 4\ndirect\n0.138391 0.276783 0.525294 Zn\n0.861609 0.723217 0.474706 Zn\n0.218968 0.437936 0.250573 Ni\n0.781032 0.562064 0.749427 Ni\n0.495595 0.991190 0.287713 Ni\n0.504405 0.008810 0.712287 Ni\n0.638682 0.277365 0.002749 Ni\n0.361318 0.722635 0.997251 Ni\n0.155317 0.310634 0.815912 B\n0.844683 0.689366 0.184088 B\n0.014861 0.029723 0.111263 B\n0.985139 0.970277 0.888737 B\n",
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"density": 7.716369642213735,
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"spacegroup": 12
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{
"id": "mp-1103185",
"created_at": "2022-09-04T14:41:27.418883Z",
"structure_string": "U3 Co2 Si7\n1.0\n-3.974776 0.000000 0.000000\n0.000000 0.000000 -4.026721\n1.987388 -12.190837 0.000000\nU Co Si\n3 2 7\ndirect\n0.314120 0.000000 0.628241 U\n0.685880 0.000000 0.371759 U\n0.000000 0.500000 0.000000 U\n0.128711 0.500000 0.257422 Co\n0.871289 0.500000 0.742578 Co\n0.500000 0.000000 0.000000 Si\n0.413133 0.500000 0.826266 Si\n0.586867 0.500000 0.173734 Si\n0.087517 0.000000 0.175034 Si\n0.912483 0.000000 0.824966 Si\n0.222235 0.500000 0.444470 Si\n0.777765 0.500000 0.555530 Si\n",
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"density": 8.753413955185124,
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"formula_full": "U3 Co2 Si7",
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"updated_at": "2021-11-28T01:35:20.100000Z",
"spacegroup": 65
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{
"id": "mp-1103186",
"created_at": "2022-09-04T14:40:36.448333Z",
"structure_string": "As6 S6\n1.0\n2.743902 -6.751589 0.000000\n2.743902 6.751589 0.000000\n0.000000 0.000000 6.995875\nAs S\n6 6\ndirect\n0.938560 0.938560 0.509350 As\n0.061440 0.061440 0.009350 As\n0.685124 0.389287 0.006636 As\n0.389287 0.685124 0.006636 As\n0.314876 0.610713 0.506636 As\n0.610713 0.314876 0.506636 As\n0.637406 0.637406 0.168109 S\n0.362594 0.362594 0.668109 S\n0.975066 0.251189 0.329434 S\n0.251189 0.975066 0.329434 S\n0.024934 0.748811 0.829434 S\n0.748811 0.024934 0.829434 S\n",
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"formula_full": "As6 S6",
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"updated_at": "2021-11-28T01:35:08.274000Z",
"spacegroup": 36
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{
"id": "mp-1103187",
"created_at": "2022-09-04T14:45:57.482435Z",
"structure_string": "Cs2 Tm2 Zn2 Te6\n1.0\n4.406697 0.000000 0.000000\n-2.203348 8.659974 0.000000\n0.000000 0.000000 11.641722\nCs Tm Zn Te\n2 2 2 6\ndirect\n0.745536 0.491072 0.250000 Cs\n0.254464 0.508928 0.750000 Cs\n0.000000 0.000000 0.500000 Tm\n0.000000 0.000000 0.000000 Tm\n0.461135 0.922270 0.250000 Zn\n0.538865 0.077730 0.750000 Zn\n0.382034 0.764068 0.445008 Te\n0.617966 0.235932 0.554992 Te\n0.382034 0.764068 0.054992 Te\n0.617966 0.235932 0.945008 Te\n0.057204 0.114408 0.250000 Te\n0.942796 0.885592 0.750000 Te\n",
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"Zn",
"Te"
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"volume": 444.2700147898697,
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"formula_full": "Cs2 Tm2 Zn2 Te6",
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"formula_anonymous": "ABCD3",
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"spacegroup": 63
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{
"id": "mp-1103188",
"created_at": "2022-09-04T14:43:18.962243Z",
"structure_string": "Zr9 Te3\n1.0\n10.930876 -2.846109 0.000000\n10.930876 2.846109 0.000000\n10.189824 0.000000 4.873588\nZr Te\n9 3\ndirect\n0.414927 0.911768 0.414927 Zr\n0.414927 0.414927 0.911768 Zr\n0.911768 0.414927 0.414927 Zr\n0.585073 0.088232 0.585073 Zr\n0.585073 0.585073 0.088232 Zr\n0.088232 0.585073 0.585073 Zr\n0.667239 0.667239 0.667239 Zr\n0.332761 0.332761 0.332761 Zr\n0.500000 0.500000 0.500000 Zr\n0.873440 0.873440 0.873440 Te\n0.126560 0.126560 0.126560 Te\n0.000000 0.000000 0.000000 Te\n",
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{
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"created_at": "2022-09-04T14:44:53.636780Z",
"structure_string": "La4 Te4 Cl4\n1.0\n4.533337 0.000000 0.000000\n0.000000 8.005744 0.000000\n0.000000 0.000000 9.454725\nLa Te Cl\n4 4 4\ndirect\n0.250000 0.238395 0.631576 La\n0.250000 0.738395 0.868424 La\n0.750000 0.761605 0.368424 La\n0.750000 0.261605 0.131576 La\n0.250000 0.461705 0.331819 Te\n0.250000 0.961705 0.168181 Te\n0.750000 0.538295 0.668181 Te\n0.750000 0.038295 0.831819 Te\n0.250000 0.865017 0.560362 Cl\n0.250000 0.365017 0.939638 Cl\n0.750000 0.134983 0.439638 Cl\n0.750000 0.634983 0.060362 Cl\n",
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"density": 5.845042859440629,
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{
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"structure_string": "Ca2 W2 O8\n1.0\n0.130030 0.000000 5.286551\n5.412431 0.000000 -0.365693\n-2.771230 5.687222 -2.460428\nCa W O\n2 2 8\ndirect\n0.377526 0.127526 0.755053 Ca\n0.622474 0.872474 0.244947 Ca\n0.866432 0.616432 0.732863 W\n0.133568 0.383568 0.267137 W\n0.280853 0.438901 0.080112 O\n0.799260 0.141211 0.080112 O\n0.719148 0.561099 0.919888 O\n0.200740 0.858789 0.919888 O\n0.624663 0.773270 0.566230 O\n0.941567 0.292960 0.566230 O\n0.375337 0.226730 0.433770 O\n0.058433 0.707040 0.433770 O\n",
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"formula_full": "Ca2 W2 O8",
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{
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"created_at": "2022-09-04T14:41:03.887463Z",
"structure_string": "Eu4 Al4 Au4\n1.0\n4.718591 0.000000 0.000000\n0.000000 7.539401 0.000000\n0.000000 0.000000 7.961975\nEu Al Au\n4 4 4\ndirect\n0.250000 0.015118 0.312731 Eu\n0.250000 0.515118 0.187269 Eu\n0.750000 0.984882 0.687269 Eu\n0.750000 0.484882 0.812731 Eu\n0.250000 0.160377 0.929186 Al\n0.250000 0.660377 0.570814 Al\n0.750000 0.839623 0.070814 Al\n0.750000 0.339623 0.429186 Al\n0.250000 0.294832 0.606830 Au\n0.250000 0.794832 0.893170 Au\n0.750000 0.705168 0.393170 Au\n0.750000 0.205168 0.106830 Au\n",
"nsites": 12,
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"formula_full": "Eu4 Al4 Au4",
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"spacegroup": 62
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{
"id": "mp-1103194",
"created_at": "2022-09-04T14:41:21.248520Z",
"structure_string": "Sb4 S4 Br4\n1.0\n4.014095 0.000000 0.000000\n0.000000 8.781000 0.000000\n0.000000 0.000000 10.220930\nSb S Br\n4 4 4\ndirect\n0.269106 0.607540 0.369682 Sb\n0.769106 0.392460 0.630318 Sb\n0.769106 0.892460 0.869682 Sb\n0.269106 0.107540 0.130318 Sb\n0.260650 0.342626 0.457907 S\n0.760650 0.657374 0.542093 S\n0.760650 0.157374 0.957907 S\n0.260650 0.842626 0.042093 S\n0.256444 0.012890 0.687602 Br\n0.756444 0.987110 0.312398 Br\n0.756444 0.487110 0.187602 Br\n0.256444 0.512890 0.812398 Br\n",
"nsites": 12,
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}
]
}