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"results": [
{
"id": "mp-1213672",
"created_at": "2022-09-04T14:43:14.321096Z",
"structure_string": "Dy12 Ga60 Ru16\n1.0\n8.811822 0.000000 0.000000\n0.000000 9.668069 0.000000\n0.000000 0.000000 17.836010\nDy Ga Ru\n12 60 16\ndirect\n0.375676 0.250000 0.168029 Dy\n0.624324 0.750000 0.831971 Dy\n0.124324 0.750000 0.668029 Dy\n0.875676 0.250000 0.331971 Dy\n0.375314 0.250000 0.748279 Dy\n0.624686 0.750000 0.251721 Dy\n0.124686 0.750000 0.248279 Dy\n0.875314 0.250000 0.751721 Dy\n0.125906 0.250000 0.524451 Dy\n0.874094 0.750000 0.475549 Dy\n0.374094 0.750000 0.024451 Dy\n0.625906 0.250000 0.975549 Dy\n0.126728 0.060618 0.252808 Ga\n0.873272 0.939382 0.747192 Ga\n0.373272 0.939382 0.752808 Ga\n0.873272 0.560618 0.747192 Ga\n0.626728 0.060618 0.247192 Ga\n0.126728 0.439382 0.252808 Ga\n0.626728 0.439382 0.247192 Ga\n0.373272 0.560618 0.752808 Ga\n0.007285 0.250000 0.168497 Ga\n0.992715 0.750000 0.831503 Ga\n0.492715 0.750000 0.668497 Ga\n0.507285 0.250000 0.331503 Ga\n0.133337 0.250000 0.041774 Ga\n0.866663 0.750000 0.958226 Ga\n0.366663 0.750000 0.541774 Ga\n0.633337 0.250000 0.458226 Ga\n0.374468 0.577474 0.331637 Ga\n0.625532 0.422526 0.668363 Ga\n0.125532 0.422526 0.831637 Ga\n0.625532 0.077474 0.668363 Ga\n0.874468 0.577474 0.168363 Ga\n0.374468 0.922526 0.331637 Ga\n0.874468 0.922526 0.168363 Ga\n0.125532 0.077474 0.831637 Ga\n0.220814 0.250000 0.359401 Ga\n0.779186 0.750000 0.640599 Ga\n0.279186 0.750000 0.859401 Ga\n0.720814 0.250000 0.140599 Ga\n0.124049 0.087150 0.671849 Ga\n0.875951 0.912850 0.328151 Ga\n0.375951 0.912850 0.171849 Ga\n0.875951 0.587150 0.328151 Ga\n0.624049 0.087150 0.828151 Ga\n0.124049 0.412850 0.671849 Ga\n0.624049 0.412850 0.828151 Ga\n0.375951 0.587150 0.171849 Ga\n0.377635 0.061128 0.465337 Ga\n0.622365 0.938872 0.534663 Ga\n0.122365 0.938872 0.965337 Ga\n0.622365 0.561128 0.534663 Ga\n0.877635 0.061128 0.034663 Ga\n0.377635 0.438872 0.465337 Ga\n0.877635 0.438872 0.034663 Ga\n0.122365 0.561128 0.965337 Ga\n0.450885 0.250000 0.577698 Ga\n0.549115 0.750000 0.422302 Ga\n0.049115 0.750000 0.077698 Ga\n0.950885 0.250000 0.922302 Ga\n0.304570 0.250000 0.917955 Ga\n0.695430 0.750000 0.082045 Ga\n0.195430 0.750000 0.417955 Ga\n0.804570 0.250000 0.582045 Ga\n0.373655 0.069031 0.032787 Ga\n0.626345 0.930969 0.967213 Ga\n0.126345 0.930969 0.532787 Ga\n0.626345 0.569031 0.967213 Ga\n0.873655 0.069031 0.467213 Ga\n0.373655 0.430969 0.032787 Ga\n0.873655 0.430969 0.467213 Ga\n0.126345 0.569031 0.532787 Ga\n0.117326 0.003661 0.390278 Ru\n0.882674 0.996339 0.609722 Ru\n0.382674 0.996339 0.890278 Ru\n0.882674 0.503661 0.609722 Ru\n0.617326 0.003661 0.109722 Ru\n0.117326 0.496339 0.390278 Ru\n0.617326 0.496339 0.109722 Ru\n0.382674 0.503661 0.890278 Ru\n0.130417 0.004615 0.113456 Ru\n0.869583 0.995385 0.886544 Ru\n0.369583 0.995385 0.613456 Ru\n0.869583 0.504615 0.886544 Ru\n0.630417 0.004615 0.386544 Ru\n0.130417 0.495385 0.113456 Ru\n0.630417 0.495385 0.386544 Ru\n0.369583 0.504615 0.613456 Ru\n",
"nsites": 88,
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"elements": [
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],
"chemical_system": "Dy-Ga-Ru",
"density": 8.469848727993622,
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"volume": 1519.5086062336331,
"volume_molar": 10.398516719057218,
"formula_full": "Dy12 Ga60 Ru16",
"formula_reduced": "Dy3Ga15Ru4",
"formula_anonymous": "A3B4C15",
"energy": -431.01225841,
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"energy_uncorrected": -431.01225841,
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"updated_at": "2021-11-28T01:36:11.473000Z",
"spacegroup": 62
},
{
"id": "mp-1187924",
"created_at": "2022-09-04T14:43:15.198186Z",
"structure_string": "Yb1 Au1 O3\n1.0\n4.047113 0.000000 0.000000\n0.000000 4.047113 0.000000\n0.000000 0.000000 4.047113\nYb Au O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Au\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
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"elements": [
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"density": 10.471149071965039,
"density_atomic": 0.07542824667164094,
"volume": 66.28816419088089,
"volume_molar": 7.983933109589525,
"formula_full": "Yb1 Au1 O3",
"formula_reduced": "YbAuO3",
"formula_anonymous": "ABC3",
"energy": -26.64722627,
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"updated_at": "2021-11-28T01:36:12.686000Z",
"spacegroup": 221
},
{
"id": "mp-1102504",
"created_at": "2022-09-04T14:43:14.800550Z",
"structure_string": "Co4 P4 W4\n1.0\n3.752314 0.000000 0.000000\n0.000000 5.787975 0.000000\n0.000000 0.000000 6.729368\nCo P W\n4 4 4\ndirect\n0.250000 0.859804 0.930830 Co\n0.250000 0.359804 0.569170 Co\n0.750000 0.140196 0.069170 Co\n0.750000 0.640196 0.430830 Co\n0.250000 0.232737 0.878848 P\n0.250000 0.732737 0.621152 P\n0.750000 0.767263 0.121152 P\n0.750000 0.267263 0.378848 P\n0.250000 0.967433 0.331452 W\n0.250000 0.467433 0.168548 W\n0.750000 0.032567 0.668548 W\n0.750000 0.532567 0.831452 W\n",
"nsites": 12,
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"elements": [
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"W"
],
"chemical_system": "Co-P-W",
"density": 12.441085938376332,
"density_atomic": 0.08210718202144295,
"volume": 146.15043050516707,
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"formula_full": "Co4 P4 W4",
"formula_reduced": "CoPW",
"formula_anonymous": "ABC",
"energy": -107.24599417,
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"updated_at": "2021-11-28T01:36:10.104000Z",
"spacegroup": 62
},
{
"id": "mp-1196984",
"created_at": "2022-09-04T14:43:14.810110Z",
"structure_string": "Ga16 Pb8 S32\n1.0\n0.000000 10.347977 10.595052\n6.156322 0.000000 10.595052\n6.156322 10.347977 0.000000\nGa Pb S\n16 8 32\ndirect\n0.489593 0.759813 0.737069 Ga\n0.759813 0.489593 0.013525 Ga\n0.737069 0.013525 0.489593 Ga\n0.013525 0.737069 0.759813 Ga\n0.760407 0.490187 0.512931 Ga\n0.490187 0.760407 0.236475 Ga\n0.512931 0.236475 0.760407 Ga\n0.236475 0.512931 0.490187 Ga\n0.984916 0.264916 0.655398 Ga\n0.264916 0.984916 0.094770 Ga\n0.655398 0.094770 0.984916 Ga\n0.094770 0.655398 0.264916 Ga\n0.265084 0.985084 0.594602 Ga\n0.985084 0.265084 0.155230 Ga\n0.594602 0.155230 0.265084 Ga\n0.155230 0.594602 0.985084 Ga\n0.496427 0.496427 0.003573 Pb\n0.003574 0.003574 0.496426 Pb\n0.753574 0.753574 0.246426 Pb\n0.246427 0.246427 0.753574 Pb\n0.250000 0.250000 0.250000 Pb\n0.000000 0.000000 0.000000 Pb\n0.750000 0.750000 0.750000 Pb\n0.500000 0.500000 0.500000 Pb\n0.471780 0.276204 0.966130 S\n0.276204 0.471780 0.285885 S\n0.966130 0.285885 0.471780 S\n0.285885 0.966130 0.276204 S\n0.778220 0.973796 0.283870 S\n0.973796 0.778220 0.964115 S\n0.283870 0.964115 0.778220 S\n0.964115 0.283870 0.973796 S\n0.468243 0.779629 0.939502 S\n0.779628 0.468243 0.812626 S\n0.939502 0.812626 0.468243 S\n0.812626 0.939502 0.779628 S\n0.781757 0.470372 0.310498 S\n0.470372 0.781757 0.437374 S\n0.310498 0.437374 0.781757 S\n0.437374 0.310498 0.470371 S\n0.042049 0.543549 0.708125 S\n0.543549 0.042049 0.706278 S\n0.708125 0.706278 0.042049 S\n0.706278 0.708125 0.543549 S\n0.207951 0.706451 0.541875 S\n0.706451 0.207951 0.543722 S\n0.541875 0.543722 0.207951 S\n0.543722 0.541875 0.706451 S\n0.207863 0.706028 0.042140 S\n0.706028 0.207863 0.043969 S\n0.042140 0.043969 0.207863 S\n0.043969 0.042140 0.706028 S\n0.042137 0.543972 0.207860 S\n0.543972 0.042137 0.206031 S\n0.207860 0.206031 0.042137 S\n0.206031 0.207860 0.543972 S\n",
"nsites": 56,
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"elements": [
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"Pb",
"S"
],
"chemical_system": "Ga-Pb-S",
"density": 4.673442147600109,
"density_atomic": 0.0414837641962902,
"volume": 1349.925713949747,
"volume_molar": 14.516861901694416,
"formula_full": "Ga16 Pb8 S32",
"formula_reduced": "Ga2PbS4",
"formula_anonymous": "AB2C4",
"energy": -263.91321678,
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"updated_at": "2021-11-28T01:36:02.465000Z",
"spacegroup": 70
},
{
"id": "mp-23396",
"created_at": "2022-09-04T14:43:14.809862Z",
"structure_string": "Mo4 N4 Cl12\n1.0\n8.068273 0.000000 0.000000\n-2.708355 8.024001 0.000000\n-2.961502 -2.623988 8.593358\nMo N Cl\n4 4 12\ndirect\n0.625325 0.849099 0.630996 Mo\n0.374675 0.150901 0.369004 Mo\n0.484650 0.443119 0.765871 Mo\n0.515350 0.556881 0.234129 Mo\n0.562591 0.670198 0.693189 N\n0.437409 0.329802 0.306811 N\n0.438193 0.293739 0.600024 N\n0.561807 0.706261 0.399976 N\n0.189400 0.460653 0.117978 Cl\n0.810600 0.539347 0.882022 Cl\n0.577238 0.728645 0.073285 Cl\n0.422762 0.271355 0.926715 Cl\n0.799293 0.523052 0.296833 Cl\n0.200707 0.476948 0.703167 Cl\n0.068742 0.108620 0.341866 Cl\n0.931258 0.891380 0.658134 Cl\n0.282475 0.931838 0.149597 Cl\n0.717525 0.068162 0.850403 Cl\n0.681766 0.151308 0.482887 Cl\n0.318234 0.848692 0.517113 Cl\n",
"nsites": 20,
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"elements": [
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"N",
"Cl"
],
"chemical_system": "Cl-Mo-N",
"density": 2.58251343189597,
"density_atomic": 0.03594972163665297,
"volume": 556.332541379368,
"volume_molar": 16.751564367775394,
"formula_full": "Mo4 N4 Cl12",
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"formula_anonymous": "ABC3",
"energy": -120.82398804,
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"total_magnetization": 2.53e-05,
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"updated_at": "2021-11-28T01:36:09.631000Z",
"spacegroup": 2
},
{
"id": "mp-1216394",
"created_at": "2022-09-04T14:43:14.838223Z",
"structure_string": "V1 Cr1\n1.0\n1.460505 -2.069616 0.000000\n1.460505 2.069616 0.000000\n0.000000 0.000000 4.086256\nV Cr\n1 1\ndirect\n0.500000 0.500000 0.500000 V\n0.000000 0.000000 0.000000 Cr\n",
"nsites": 2,
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],
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"density": 6.9195005409897075,
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"volume": 24.702925479877987,
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"formula_full": "V1 Cr1",
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"updated_at": "2021-11-28T01:36:01.056000Z",
"spacegroup": 65
},
{
"id": "mp-1210344",
"created_at": "2022-09-04T14:43:14.841811Z",
"structure_string": "Sm4 H52 C32 N24 O52\n1.0\n0.000000 -7.034282 0.000000\n-16.071045 0.000000 3.403590\n0.005115 0.000000 -14.624053\nSm H C N O\n4 52 32 24 52\ndirect\n0.638095 0.178050 0.792051 Sm\n0.361905 0.821950 0.207949 Sm\n0.138095 0.821950 0.707949 Sm\n0.861905 0.178050 0.292051 Sm\n0.354321 0.726435 0.365862 H\n0.645679 0.273565 0.634138 H\n0.854321 0.273565 0.134138 H\n0.145679 0.726435 0.865862 H\n0.568679 0.794190 0.724265 H\n0.431321 0.205810 0.275735 H\n0.068679 0.205810 0.775735 H\n0.931321 0.794190 0.224265 H\n0.479340 0.718436 0.912587 H\n0.520660 0.281564 0.087413 H\n0.979340 0.281564 0.587413 H\n0.020660 0.718436 0.412587 H\n0.936340 0.764743 0.874631 H\n0.063660 0.235257 0.125369 H\n0.436340 0.235257 0.625369 H\n0.563660 0.764743 0.374631 H\n0.358595 0.649396 0.949731 H\n0.641405 0.350604 0.050269 H\n0.858595 0.350604 0.550269 H\n0.141405 0.649396 0.449731 H\n0.519286 0.825403 0.829460 H\n0.480714 0.174597 0.170540 H\n0.019286 0.174597 0.670540 H\n0.980714 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