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{
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"results": [
{
"id": "mp-1193223",
"created_at": "2022-09-04T14:48:22.196328Z",
"structure_string": "Ba4 Tb8 S16\n1.0\n4.084064 0.000000 0.000000\n0.000000 12.360346 0.000000\n0.000000 0.000000 14.634571\nBa Tb S\n4 8 16\ndirect\n0.250000 0.756784 0.338625 Ba\n0.250000 0.256784 0.161375 Ba\n0.750000 0.243216 0.661375 Ba\n0.750000 0.743216 0.838625 Ba\n0.250000 0.432356 0.390758 Tb\n0.250000 0.932356 0.109242 Tb\n0.750000 0.567644 0.609242 Tb\n0.750000 0.067644 0.890758 Tb\n0.250000 0.420624 0.898483 Tb\n0.250000 0.920624 0.601517 Tb\n0.750000 0.579376 0.101517 Tb\n0.750000 0.079376 0.398483 Tb\n0.250000 0.206695 0.834916 S\n0.250000 0.706695 0.665084 S\n0.750000 0.793305 0.165084 S\n0.750000 0.293305 0.334916 S\n0.250000 0.124484 0.523476 S\n0.250000 0.624484 0.976524 S\n0.750000 0.875516 0.476524 S\n0.750000 0.375516 0.023476 S\n0.250000 0.023272 0.283287 S\n0.250000 0.523272 0.216713 S\n0.750000 0.976728 0.716713 S\n0.750000 0.476728 0.783287 S\n0.250000 0.419734 0.576882 S\n0.250000 0.919734 0.923118 S\n0.750000 0.580266 0.423118 S\n0.750000 0.080266 0.076882 S\n",
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{
"id": "mp-1220064",
"created_at": "2022-09-04T14:41:30.117308Z",
"structure_string": "Pr18 Al10 Se42\n1.0\n8.339932 -9.059407 0.000000\n8.339932 9.059407 0.000000\n-1.501018 0.000000 12.221876\nPr Al Se\n18 10 42\ndirect\n0.113777 0.879314 0.739848 Pr\n0.456973 0.226890 0.075586 Pr\n0.765974 0.553372 0.395513 Pr\n0.395513 0.765974 0.553372 Pr\n0.739848 0.113777 0.879314 Pr\n0.075586 0.456973 0.226890 Pr\n0.226890 0.075586 0.456973 Pr\n0.553372 0.395513 0.765974 Pr\n0.879314 0.739848 0.113777 Pr\n0.208022 0.433656 0.583053 Pr\n0.551673 0.779813 0.932266 Pr\n0.874852 0.100188 0.245294 Pr\n0.932266 0.551673 0.779813 Pr\n0.245294 0.874852 0.100188 Pr\n0.583053 0.208022 0.433656 Pr\n0.100188 0.245294 0.874852 Pr\n0.433656 0.583053 0.208022 Pr\n0.779813 0.932266 0.551673 Pr\n0.721115 0.387627 0.044712 Al\n0.044712 0.721115 0.387627 Al\n0.387627 0.044712 0.721115 Al\n0.881303 0.226246 0.546314 Al\n0.226246 0.546314 0.881303 Al\n0.546314 0.881303 0.226246 Al\n0.854473 0.854473 0.854473 Al\n0.169744 0.169744 0.169744 Al\n0.669330 0.669330 0.669330 Al\n0.354205 0.354205 0.354205 Al\n0.841418 0.508239 0.170458 Se\n0.170458 0.841418 0.508239 Se\n0.508239 0.170458 0.841418 Se\n0.672814 0.005908 0.341645 Se\n0.005908 0.341645 0.672814 Se\n0.341645 0.672814 0.005908 Se\n0.542845 0.449522 0.008581 Se\n0.868363 0.785960 0.356381 Se\n0.206406 0.105030 0.695537 Se\n0.695537 0.206406 0.105030 Se\n0.008581 0.542845 0.449522 Se\n0.356381 0.868363 0.785960 Se\n0.785960 0.356381 0.868363 Se\n0.105030 0.695537 0.206406 Se\n0.449522 0.008581 0.542845 Se\n0.965532 0.068930 0.477472 Se\n0.299660 0.383506 0.811772 Se\n0.630658 0.720254 0.162150 Se\n0.811772 0.299660 0.383506 Se\n0.162150 0.630658 0.720254 Se\n0.477472 0.965532 0.068930 Se\n0.720254 0.162150 0.630658 Se\n0.068930 0.477472 0.965532 Se\n0.383506 0.811772 0.299660 Se\n0.552378 0.405205 0.306944 Se\n0.890949 0.757276 0.664440 Se\n0.237428 0.096526 0.998051 Se\n0.998051 0.237428 0.096526 Se\n0.306944 0.552378 0.405205 Se\n0.664440 0.890949 0.757276 Se\n0.757276 0.664440 0.890949 Se\n0.096526 0.998051 0.237428 Se\n0.405205 0.306944 0.552378 Se\n0.149809 0.284022 0.375194 Se\n0.486165 0.620774 0.726602 Se\n0.790007 0.941723 0.035434 Se\n0.726602 0.486165 0.620774 Se\n0.035434 0.790007 0.941723 Se\n0.375194 0.149809 0.284022 Se\n0.941723 0.035434 0.790007 Se\n0.284022 0.375194 0.149809 Se\n0.620774 0.726602 0.486165 Se\n",
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"spacegroup": 146
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{
"id": "mp-570668",
"created_at": "2022-09-04T14:42:50.356806Z",
"structure_string": "La4 Se8\n1.0\n4.280068 0.000000 0.000000\n0.000000 8.562773 0.000000\n0.000000 0.031834 8.638033\nLa Se\n4 8\ndirect\n0.220240 0.127767 0.723544 La\n0.279760 0.627767 0.723544 La\n0.779760 0.872233 0.276456 La\n0.720240 0.372233 0.276456 La\n0.677650 0.117239 0.997629 Se\n0.177650 0.382761 0.002371 Se\n0.822350 0.617239 0.997629 Se\n0.758623 0.874905 0.634515 Se\n0.258623 0.625095 0.365485 Se\n0.322350 0.882761 0.002371 Se\n0.741377 0.374905 0.634515 Se\n0.241377 0.125095 0.365485 Se\n",
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"density": 6.227737434434053,
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"volume": 316.5774370458492,
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"formula_full": "La4 Se8",
"formula_reduced": "LaSe2",
"formula_anonymous": "AB2",
"energy": -72.58641018,
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{
"id": "mp-990448",
"created_at": "2022-09-04T14:46:01.467739Z",
"structure_string": "C2\n1.0\n1.234208 -2.137711 0.000000\n1.234208 2.137711 0.000000\n0.000000 0.000000 9.999058\nC\n2\ndirect\n0.333333 0.666667 0.000000 C\n0.666667 0.333333 0.000000 C\n",
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{
"id": "mp-1209173",
"created_at": "2022-09-04T14:42:56.445578Z",
"structure_string": "Rb4 Cu4 Te4 S12\n1.0\n10.632661 0.000000 0.000000\n0.000000 7.523339 0.000000\n0.000000 2.248745 7.915067\nRb Cu Te S\n4 4 4 12\ndirect\n0.236923 0.473860 0.884405 Rb\n0.763077 0.526140 0.115595 Rb\n0.736923 0.526140 0.615595 Rb\n0.263077 0.473860 0.384405 Rb\n0.249708 0.916685 0.520688 Cu\n0.750292 0.083315 0.479312 Cu\n0.749708 0.083315 0.979312 Cu\n0.250292 0.916685 0.020688 Cu\n0.497918 0.935802 0.767321 Te\n0.502082 0.064198 0.232679 Te\n0.997918 0.064198 0.732679 Te\n0.002082 0.935802 0.267321 Te\n0.064248 0.746807 0.539794 S\n0.935752 0.253193 0.460206 S\n0.564248 0.253193 0.960206 S\n0.435752 0.746807 0.039794 S\n0.726053 0.895488 0.774876 S\n0.273947 0.104512 0.225124 S\n0.226053 0.104512 0.725124 S\n0.773947 0.895488 0.274876 S\n0.434028 0.744324 0.590614 S\n0.565972 0.255676 0.409386 S\n0.934028 0.255676 0.909386 S\n0.065972 0.744324 0.090614 S\n",
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{
"id": "mp-1189329",
"created_at": "2022-09-04T14:40:54.654251Z",
"structure_string": "Y12 Co4\n1.0\n9.496347 0.000000 0.000000\n0.000000 6.338302 0.000000\n0.000000 0.000711 7.012687\nY Co\n12 4\ndirect\n0.489344 0.366808 0.042892 Y\n0.487868 0.141588 0.546194 Y\n0.989344 0.633192 0.957108 Y\n0.987868 0.858412 0.453806 Y\n0.303912 0.823581 0.175045 Y\n0.668569 0.685493 0.677153 Y\n0.803912 0.176419 0.824955 Y\n0.168569 0.314507 0.322847 Y\n0.305359 0.673208 0.671029 Y\n0.668549 0.832787 0.174092 Y\n0.805359 0.326792 0.328971 Y\n0.168549 0.167213 0.825908 Y\n0.500013 0.543510 0.388399 Co\n0.487543 0.957912 0.889862 Co\n0.000013 0.456490 0.611601 Co\n0.987543 0.042088 0.110138 Co\n",
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{
"id": "mp-1209707",
"created_at": "2022-09-04T14:43:54.069577Z",
"structure_string": "Pu2 O1 F1\n1.0\n3.484224 -0.000822 0.000345\n-0.000823 3.469744 -0.001525\n0.000782 -0.003328 8.728696\nPu O F\n2 1 1\ndirect\n0.499972 0.500059 0.264375 Pu\n0.500027 0.499956 0.735653 Pu\n0.499999 0.500006 0.499976 O\n0.500002 0.499979 0.999996 F\n",
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{
"id": "mp-1208299",
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"structure_string": "Tb4 S4 Br4\n1.0\n6.918132 0.000000 0.000000\n0.000000 6.799864 0.000000\n0.000000 1.095843 6.729331\nTb S Br\n4 4 4\ndirect\n0.964684 0.789859 0.319915 Tb\n0.035316 0.210141 0.680085 Tb\n0.464684 0.710141 0.680085 Tb\n0.535316 0.289859 0.319915 Tb\n0.739774 0.992123 0.554075 S\n0.260226 0.007877 0.445925 S\n0.239774 0.507877 0.445925 S\n0.760226 0.492123 0.554075 S\n0.616100 0.712203 0.084305 Br\n0.383900 0.287797 0.915695 Br\n0.116100 0.787797 0.915695 Br\n0.883900 0.212203 0.084305 Br\n",
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{
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"structure_string": "Er1 Lu1 Mg2\n1.0\n0.000000 3.750621 3.750621\n3.750621 0.000000 3.750621\n3.750621 3.750621 0.000000\nEr Lu Mg\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Er\n0.000000 0.000000 0.000000 Lu\n0.250000 0.250000 0.250000 Mg\n0.750000 0.750000 0.750000 Mg\n",
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{
"id": "mp-1232091",
"created_at": "2022-09-04T14:46:25.290634Z",
"structure_string": "Pr8 Mg4 S16\n1.0\n3.993936 0.000000 0.000000\n0.000000 13.042432 0.000000\n0.000000 0.000000 14.179938\nPr Mg S\n8 4 16\ndirect\n0.250000 0.122933 0.073985 Pr\n0.750000 0.877067 0.926015 Pr\n0.750000 0.377067 0.573985 Pr\n0.250000 0.622933 0.426015 Pr\n0.250000 0.130107 0.708697 Pr\n0.750000 0.869893 0.291303 Pr\n0.750000 0.369893 0.208697 Pr\n0.250000 0.630107 0.791303 Pr\n0.750000 0.105038 0.464612 Mg\n0.250000 0.894962 0.535388 Mg\n0.250000 0.394962 0.964612 Mg\n0.750000 0.605038 0.035388 Mg\n0.750000 0.999754 0.612959 S\n0.250000 0.000246 0.387041 S\n0.250000 0.500246 0.112959 S\n0.750000 0.499754 0.887041 S\n0.250000 0.024396 0.886692 S\n0.750000 0.975604 0.113308 S\n0.750000 0.475604 0.386692 S\n0.250000 0.524396 0.613308 S\n0.250000 0.231526 0.244085 S\n0.750000 0.768474 0.755915 S\n0.750000 0.268474 0.744085 S\n0.250000 0.731526 0.255915 S\n0.750000 0.271856 0.017235 S\n0.250000 0.728144 0.982765 S\n0.250000 0.228144 0.517235 S\n0.750000 0.771856 0.482765 S\n",
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{
"id": "mp-1505",
"created_at": "2022-09-04T14:42:15.355380Z",
"structure_string": "Tm1 Mg1\n1.0\n3.750604 0.000000 0.000000\n0.000000 3.750604 0.000000\n0.000000 0.000000 3.750604\nTm Mg\n1 1\ndirect\n0.500000 0.500000 0.500000 Tm\n0.000000 0.000000 0.000000 Mg\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Tm",
"Mg"
],
"chemical_system": "Mg-Tm",
"density": 6.081920142481172,
"density_atomic": 0.0379076060202876,
"volume": 52.75986035440035,
"volume_molar": 15.886365276607123,
"formula_full": "Tm1 Mg1",
"formula_reduced": "TmMg",
"formula_anonymous": "AB",
"energy": -6.19265252,
"energy_per_atom": -3.09632626,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.19265252,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0106431,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:39.575000Z",
"spacegroup": 221
},
{
"id": "mp-543051",
"created_at": "2022-09-04T14:44:49.910169Z",
"structure_string": "Lu20 Sb12\n1.0\n7.945541 0.000000 0.000000\n0.000000 9.163779 0.000000\n0.000000 0.000000 11.593785\nLu Sb\n20 12\ndirect\n0.194380 0.561899 0.439338 Lu\n0.694380 0.938101 0.060662 Lu\n0.805620 0.061899 0.560662 Lu\n0.305620 0.438101 0.939338 Lu\n0.805620 0.438101 0.560662 Lu\n0.305620 0.061899 0.939338 Lu\n0.194380 0.938101 0.439338 Lu\n0.694380 0.561899 0.060662 Lu\n0.027161 0.750000 0.990321 Lu\n0.527161 0.750000 0.509679 Lu\n0.972839 0.250000 0.009679 Lu\n0.472839 0.250000 0.490321 Lu\n0.186399 0.750000 0.719026 Lu\n0.686399 0.750000 0.780974 Lu\n0.813601 0.250000 0.280974 Lu\n0.313601 0.250000 0.219026 Lu\n0.855265 0.750000 0.284953 Lu\n0.355265 0.750000 0.215047 Lu\n0.144735 0.250000 0.715047 Lu\n0.644735 0.250000 0.784953 Lu\n0.933760 0.496956 0.826403 Sb\n0.433760 0.003044 0.673597 Sb\n0.066240 0.996956 0.173597 Sb\n0.566240 0.503044 0.326403 Sb\n0.066240 0.503044 0.173597 Sb\n0.566240 0.996956 0.326403 Sb\n0.933760 0.003044 0.826403 Sb\n0.433760 0.496956 0.673597 Sb\n0.910274 0.750000 0.541133 Sb\n0.410274 0.750000 0.958867 Sb\n0.089726 0.250000 0.458867 Sb\n0.589726 0.250000 0.041133 Sb\n",
"nsites": 32,
"nelements": 2,
"elements": [
"Lu",
"Sb"
],
"chemical_system": "Lu-Sb",
"density": 9.757705965177584,
"density_atomic": 0.037907632009804286,
"volume": 844.1571869148577,
"volume_molar": 15.88635438489657,
"formula_full": "Lu20 Sb12",
"formula_reduced": "Lu5Sb3",
"formula_anonymous": "A3B5",
"energy": -168.49316557,
"energy_per_atom": -5.2654114240625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -166.18916557,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0037684,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:41.043000Z",
"spacegroup": 62
}
]
}