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{
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"results": [
{
"id": "mp-1196352",
"created_at": "2022-09-04T14:48:01.944100Z",
"structure_string": "Pr12 In2 Fe26\n1.0\n-4.057909 4.057909 11.894445\n4.057909 -4.057909 11.894445\n4.057909 4.057909 -11.894445\nPr In Fe\n12 2 26\ndirect\n0.604116 0.604116 0.000000 Pr\n0.104116 0.104116 0.000000 Pr\n0.395884 0.395884 0.000000 Pr\n0.895884 0.895884 0.000000 Pr\n0.478897 0.978897 0.826398 Pr\n0.152500 0.652500 0.173602 Pr\n0.978897 0.152500 0.500000 Pr\n0.652500 0.478897 0.500000 Pr\n0.521103 0.021103 0.173602 Pr\n0.847500 0.347500 0.826398 Pr\n0.021103 0.847500 0.500000 Pr\n0.347500 0.521103 0.500000 Pr\n0.250000 0.250000 0.000000 In\n0.750000 0.750000 0.000000 In\n0.500000 0.000000 0.500000 Fe\n0.000000 0.500000 0.500000 Fe\n0.566770 0.710502 0.277271 Fe\n0.433230 0.289498 0.722729 Fe\n0.066770 0.789498 0.856268 Fe\n0.933230 0.210502 0.143732 Fe\n0.289498 0.566770 0.856268 Fe\n0.710502 0.433230 0.143732 Fe\n0.210502 0.066770 0.277271 Fe\n0.789498 0.933230 0.722729 Fe\n0.621119 0.121119 0.857693 Fe\n0.263426 0.763426 0.142307 Fe\n0.121119 0.263426 0.500000 Fe\n0.763426 0.621119 0.500000 Fe\n0.378881 0.878881 0.142307 Fe\n0.736574 0.236574 0.857693 Fe\n0.878881 0.736574 0.500000 Fe\n0.236574 0.378881 0.500000 Fe\n0.795445 0.295445 0.275481 Fe\n0.019964 0.519964 0.724519 Fe\n0.295445 0.019964 0.500000 Fe\n0.519964 0.795445 0.500000 Fe\n0.204555 0.704555 0.724519 Fe\n0.980036 0.480036 0.275481 Fe\n0.704555 0.980036 0.500000 Fe\n0.480036 0.204555 0.500000 Fe\n",
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"formula_full": "Pr12 In2 Fe26",
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"updated_at": "2021-11-28T01:38:28.985000Z",
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},
{
"id": "mp-1207800",
"created_at": "2022-09-04T14:44:00.869361Z",
"structure_string": "Y4 Cr4 Fe30\n1.0\n4.192931 -7.262370 0.000000\n4.192931 7.262370 0.000000\n0.000000 0.000000 8.298380\nY Cr Fe\n4 4 30\ndirect\n0.333333 0.666667 0.250000 Y\n0.666667 0.333333 0.750000 Y\n0.000000 0.000000 0.250000 Y\n0.000000 0.000000 0.750000 Y\n0.333333 0.666667 0.618766 Cr\n0.666667 0.333333 0.381234 Cr\n0.666667 0.333333 0.118766 Cr\n0.333333 0.666667 0.881234 Cr\n0.166520 0.333040 0.012123 Fe\n0.833480 0.666960 0.987877 Fe\n0.666960 0.833480 0.012123 Fe\n0.833480 0.666960 0.512123 Fe\n0.333040 0.166520 0.987877 Fe\n0.166520 0.333040 0.487877 Fe\n0.166520 0.833480 0.012123 Fe\n0.333040 0.166520 0.512123 Fe\n0.833480 0.166520 0.987877 Fe\n0.666960 0.833480 0.487877 Fe\n0.833480 0.166520 0.512123 Fe\n0.166520 0.833480 0.487877 Fe\n0.960266 0.330008 0.250000 Fe\n0.039734 0.669992 0.750000 Fe\n0.669992 0.630257 0.250000 Fe\n0.330008 0.960266 0.750000 Fe\n0.330008 0.369743 0.750000 Fe\n0.669992 0.039734 0.250000 Fe\n0.369743 0.039734 0.250000 Fe\n0.630257 0.669992 0.750000 Fe\n0.630257 0.960266 0.750000 Fe\n0.369743 0.330008 0.250000 Fe\n0.039734 0.369743 0.750000 Fe\n0.960266 0.630257 0.250000 Fe\n0.500000 0.000000 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.000000 0.500000 0.500000 Fe\n0.500000 0.500000 0.500000 Fe\n",
"nsites": 38,
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"elements": [
"Y",
"Cr",
"Fe"
],
"chemical_system": "Cr-Fe-Y",
"density": 7.356573945283695,
"density_atomic": 0.0751907117390047,
"volume": 505.381570690569,
"volume_molar": 8.009155147917097,
"formula_full": "Y4 Cr4 Fe30",
"formula_reduced": "Y2Cr2Fe15",
"formula_anonymous": "A2B2C15",
"energy": -318.13928363,
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"updated_at": "2021-11-28T01:36:12.091000Z",
"spacegroup": 194
},
{
"id": "mp-1205274",
"created_at": "2022-09-04T14:44:12.133767Z",
"structure_string": "V28 Sb16 N8 O88\n1.0\n13.111238 0.000000 0.000000\n0.000000 12.094193 0.000000\n-10.320376 0.000000 17.127806\nV Sb N O\n28 16 8 88\ndirect\n0.839615 0.065291 0.661852 V\n0.839615 0.434709 0.161852 V\n0.160385 0.934709 0.338148 V\n0.160385 0.565291 0.838148 V\n0.743917 0.231466 0.538149 V\n0.743917 0.268534 0.038149 V\n0.256083 0.768534 0.461851 V\n0.256083 0.731466 0.961851 V\n0.820178 0.923603 0.532967 V\n0.820178 0.576397 0.032967 V\n0.179822 0.076397 0.467033 V\n0.179822 0.423603 0.967033 V\n0.737697 0.864970 0.687685 V\n0.737697 0.635030 0.187685 V\n0.262303 0.135030 0.312315 V\n0.262303 0.364970 0.812315 V\n0.666853 0.164262 0.699882 V\n0.666853 0.335738 0.199882 V\n0.333147 0.835738 0.300118 V\n0.333147 0.664262 0.800118 V\n0.501510 0.731123 0.612744 V\n0.501510 0.768877 0.112744 V\n0.498490 0.268877 0.387256 V\n0.498490 0.231123 0.887256 V\n0.391539 0.173825 0.619353 V\n0.391539 0.326175 0.119353 V\n0.608461 0.826175 0.380647 V\n0.608461 0.673825 0.880647 V\n0.736610 0.106846 0.378359 Sb\n0.736610 0.393154 0.878359 Sb\n0.263390 0.893154 0.621641 Sb\n0.263390 0.606846 0.121641 Sb\n0.742431 0.665408 0.566588 Sb\n0.742431 0.834592 0.066588 Sb\n0.257569 0.334592 0.433412 Sb\n0.257569 0.165408 0.933412 Sb\n0.572393 0.952107 0.766153 Sb\n0.572393 0.547893 0.266153 Sb\n0.427607 0.047893 0.233847 Sb\n0.427607 0.452107 0.733847 Sb\n0.566846 0.385982 0.579513 Sb\n0.566846 0.114018 0.079513 Sb\n0.433154 0.614018 0.420487 Sb\n0.433154 0.885982 0.920487 Sb\n0.215473 0.049596 0.735124 N\n0.215473 0.450404 0.235124 N\n0.784527 0.950404 0.264876 N\n0.784527 0.549596 0.764876 N\n0.071045 0.849942 0.747214 N\n0.071045 0.650058 0.247214 N\n0.928955 0.150058 0.252786 N\n0.928955 0.349942 0.752786 N\n0.655318 0.195661 0.424040 O\n0.655318 0.304339 0.924040 O\n0.344682 0.804339 0.575960 O\n0.344682 0.695661 0.075960 O\n0.710815 0.961429 0.421970 O\n0.710815 0.538571 0.921970 O\n0.289185 0.038571 0.578030 O\n0.289185 0.461429 0.078030 O\n0.713915 0.790145 0.494252 O\n0.713915 0.709855 0.994252 O\n0.286085 0.209855 0.505748 O\n0.286085 0.290145 0.005748 O\n0.601766 0.574126 0.496776 O\n0.601766 0.925874 0.996776 O\n0.398234 0.425874 0.503224 O\n0.398234 0.074126 0.003224 O\n0.658377 0.746479 0.613370 O\n0.658377 0.753521 0.113370 O\n0.341623 0.253521 0.386630 O\n0.341623 0.246479 0.886630 O\n0.589848 0.859373 0.684824 O\n0.589848 0.640627 0.184824 O\n0.410152 0.140627 0.315176 O\n0.410152 0.359373 0.815176 O\n0.407337 0.910666 0.725210 O\n0.407337 0.589334 0.225210 O\n0.592663 0.089334 0.274790 O\n0.592663 0.410666 0.774790 O\n0.531649 0.082696 0.691886 O\n0.531649 0.417304 0.191886 O\n0.468351 0.917304 0.308114 O\n0.468351 0.582696 0.808114 O\n0.528428 0.251662 0.621277 O\n0.528428 0.248338 0.121277 O\n0.471572 0.748338 0.378723 O\n0.471572 0.751662 0.878723 O\n0.584193 0.297260 0.501184 O\n0.584193 0.202740 0.001184 O\n0.415807 0.702740 0.498816 O\n0.415807 0.797260 0.998816 O\n0.822781 0.082023 0.563882 O\n0.822781 0.417977 0.063882 O\n0.177219 0.917977 0.436118 O\n0.177219 0.582023 0.936118 O\n0.814313 0.908771 0.632842 O\n0.814313 0.591229 0.132842 O\n0.185687 0.091229 0.367158 O\n0.185687 0.408771 0.867158 O\n0.747537 0.018514 0.709197 O\n0.747537 0.481486 0.209197 O\n0.252463 0.981486 0.290803 O\n0.252463 0.518514 0.790803 O\n0.747237 0.192763 0.638659 O\n0.747237 0.307237 0.138659 O\n0.252763 0.807237 0.361341 O\n0.252763 0.692763 0.861341 O\n0.975132 0.089393 0.730370 O\n0.975132 0.410607 0.230370 O\n0.024868 0.910607 0.269630 O\n0.024868 0.589393 0.769630 O\n0.838220 0.330099 0.555508 O\n0.838220 0.169901 0.055508 O\n0.161780 0.669901 0.444492 O\n0.161780 0.830099 0.944492 O\n0.950739 0.889835 0.548305 O\n0.950739 0.610165 0.048305 O\n0.049261 0.110165 0.451695 O\n0.049261 0.389835 0.951695 O\n0.837451 0.807445 0.767027 O\n0.837451 0.692555 0.267027 O\n0.162549 0.192555 0.232973 O\n0.162549 0.307445 0.732973 O\n0.505686 0.615567 0.657059 O\n0.505686 0.884433 0.157059 O\n0.494314 0.384433 0.342941 O\n0.494314 0.115567 0.842941 O\n0.737483 0.227842 0.784578 O\n0.737483 0.272158 0.284578 O\n0.262517 0.772158 0.215422 O\n0.262517 0.727842 0.715422 O\n0.351782 0.255702 0.667873 O\n0.351782 0.244298 0.167873 O\n0.648218 0.744298 0.332127 O\n0.648218 0.755702 0.832127 O\n0.932620 0.701397 0.917876 O\n0.932620 0.798603 0.417876 O\n0.067380 0.298603 0.082124 O\n0.067380 0.201397 0.582124 O\n",
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"elements": [
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"N",
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],
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"density": 2.9925204186730405,
"density_atomic": 0.05154727417453521,
"volume": 2715.9535056300065,
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"formula_full": "V28 Sb16 N8 O88",
"formula_reduced": "V7Sb4(NO11)2",
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"energy": -1050.73729463,
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"updated_at": "2021-11-28T01:36:26.890000Z",
"spacegroup": 14
},
{
"id": "mp-1210591",
"created_at": "2022-09-04T14:47:46.017454Z",
"structure_string": "Pr12 Ga2 Fe26\n1.0\n-4.031033 4.031033 11.728151\n4.031033 -4.031033 11.728151\n4.031033 4.031033 -11.728151\nPr Ga Fe\n12 2 26\ndirect\n0.106821 0.106821 0.000000 Pr\n0.893179 0.893179 0.000000 Pr\n0.393179 0.393179 0.000000 Pr\n0.606821 0.606821 0.000000 Pr\n0.853639 0.353639 0.832851 Pr\n0.146361 0.646361 0.167149 Pr\n0.520788 0.020788 0.167149 Pr\n0.353639 0.520788 0.500000 Pr\n0.979212 0.146361 0.500000 Pr\n0.479212 0.979212 0.832851 Pr\n0.646361 0.479212 0.500000 Pr\n0.020788 0.853639 0.500000 Pr\n0.250000 0.250000 0.000000 Ga\n0.750000 0.750000 0.000000 Ga\n0.737051 0.237051 0.856507 Fe\n0.262949 0.762949 0.143493 Fe\n0.380545 0.880545 0.143493 Fe\n0.237051 0.380545 0.500000 Fe\n0.119455 0.262949 0.500000 Fe\n0.619455 0.119455 0.856507 Fe\n0.762949 0.619455 0.500000 Fe\n0.880545 0.737051 0.500000 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.500000 0.500000 Fe\n0.209813 0.066099 0.275912 Fe\n0.790187 0.933901 0.724088 Fe\n0.066099 0.790187 0.856286 Fe\n0.709813 0.433901 0.143714 Fe\n0.933901 0.209813 0.143714 Fe\n0.290187 0.566099 0.856286 Fe\n0.566099 0.709813 0.275912 Fe\n0.433901 0.290187 0.724088 Fe\n0.206443 0.706443 0.726570 Fe\n0.793557 0.293557 0.273430 Fe\n0.979873 0.479873 0.273430 Fe\n0.706443 0.979873 0.500000 Fe\n0.520127 0.793557 0.500000 Fe\n0.020127 0.520127 0.726570 Fe\n0.293557 0.020127 0.500000 Fe\n0.479873 0.206443 0.500000 Fe\n",
"nsites": 40,
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"formula_full": "Pr12 Ga2 Fe26",
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},
{
"id": "mp-5932",
"created_at": "2022-09-04T14:44:44.964393Z",
"structure_string": "Nd12 Fe26 Si2\n1.0\n-4.011306 4.011306 11.501951\n4.011306 -4.011306 11.501951\n4.011306 4.011306 -11.501951\nNd Fe Si\n12 26 2\ndirect\n0.022583 0.855149 0.500000 Nd\n0.977417 0.144851 0.500000 Nd\n0.644851 0.477417 0.500000 Nd\n0.477417 0.977417 0.832566 Nd\n0.144851 0.644851 0.167434 Nd\n0.855149 0.355149 0.832566 Nd\n0.522583 0.022583 0.167434 Nd\n0.355149 0.522583 0.500000 Nd\n0.608791 0.608791 0.000000 Nd\n0.891209 0.891209 0.000000 Nd\n0.391209 0.391209 0.000000 Nd\n0.108791 0.108791 0.000000 Nd\n0.500000 0.000000 0.500000 Fe\n0.000000 0.500000 0.500000 Fe\n0.708796 0.982426 0.500000 Fe\n0.291204 0.017574 0.500000 Fe\n0.517574 0.791204 0.500000 Fe\n0.791204 0.291204 0.273629 Fe\n0.017574 0.517574 0.726371 Fe\n0.982426 0.482426 0.273629 Fe\n0.208796 0.708796 0.726371 Fe\n0.482426 0.208796 0.500000 Fe\n0.066227 0.790912 0.857139 Fe\n0.790912 0.933773 0.724685 Fe\n0.209088 0.066227 0.275315 Fe\n0.433773 0.290912 0.724685 Fe\n0.566227 0.709088 0.275315 Fe\n0.290912 0.566227 0.857139 Fe\n0.709088 0.433773 0.142861 Fe\n0.933773 0.209088 0.142861 Fe\n0.239120 0.381001 0.500000 Fe\n0.381001 0.881001 0.141881 Fe\n0.739120 0.239120 0.858119 Fe\n0.260880 0.760880 0.141881 Fe\n0.618999 0.118999 0.858119 Fe\n0.760880 0.618999 0.500000 Fe\n0.118999 0.260880 0.500000 Fe\n0.881001 0.739120 0.500000 Fe\n0.750000 0.750000 0.000000 Si\n0.250000 0.250000 0.000000 Si\n",
"nsites": 40,
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"elements": [
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"formula_full": "Nd12 Fe26 Si2",
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},
{
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"updated_at": "2021-11-28T01:37:08.553000Z",
"spacegroup": 1
}
]
}