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{
"id": "mp-754755",
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"structure_string": "Li2 V2 F8\n1.0\n1.998692 6.409782 0.000000\n-1.998692 6.409782 0.000000\n0.000000 1.997076 6.277882\nLi V F\n2 2 8\ndirect\n0.801898 0.801898 0.801947 Li\n0.198102 0.198102 0.198053 Li\n0.889768 0.889768 0.206336 V\n0.110232 0.110232 0.793664 V\n0.943939 0.943939 0.875261 F\n0.860839 0.860839 0.501695 F\n0.250935 0.250935 0.843651 F\n0.376175 0.376175 0.200372 F\n0.623825 0.623825 0.799628 F\n0.749065 0.749065 0.156349 F\n0.139161 0.139161 0.498305 F\n0.056061 0.056061 0.124739 F\n",
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{
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"created_at": "2022-09-04T14:39:12.903280Z",
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{
"id": "mp-1246577",
"created_at": "2022-09-04T14:43:00.413131Z",
"structure_string": "Mg20 Si8 N24\n1.0\n10.527568 0.000000 0.000000\n0.000000 10.527568 0.000000\n0.000000 0.000000 5.675424\nMg Si N\n20 8 24\ndirect\n0.274343 0.103033 0.848509 Mg\n0.225657 0.603033 0.848509 Mg\n0.725657 0.896967 0.848509 Mg\n0.774343 0.396967 0.848509 Mg\n0.896967 0.274343 0.151491 Mg\n0.603033 0.774343 0.151491 Mg\n0.103033 0.725657 0.151491 Mg\n0.396967 0.225657 0.151491 Mg\n0.500000 0.000000 0.000000 Mg\n0.000000 0.500000 0.000000 Mg\n0.402742 0.394771 0.678224 Mg\n0.097258 0.894771 0.678224 Mg\n0.597258 0.605229 0.678224 Mg\n0.902742 0.105229 0.678224 Mg\n0.605229 0.402742 0.321776 Mg\n0.894771 0.902742 0.321776 Mg\n0.394771 0.597258 0.321776 Mg\n0.105229 0.097258 0.321776 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.604361 0.227547 0.751443 Si\n0.895639 0.727547 0.751443 Si\n0.395639 0.772453 0.751443 Si\n0.104361 0.272453 0.751443 Si\n0.772453 0.604361 0.248557 Si\n0.727547 0.104361 0.248557 Si\n0.227547 0.395639 0.248557 Si\n0.272453 0.895639 0.248557 Si\n0.455047 0.167150 0.808730 N\n0.044953 0.667150 0.808730 N\n0.544953 0.832850 0.808730 N\n0.955047 0.332850 0.808730 N\n0.832850 0.455047 0.191270 N\n0.667150 0.955047 0.191270 N\n0.167150 0.544953 0.191270 N\n0.332850 0.044953 0.191270 N\n0.604191 0.393915 0.695818 N\n0.895809 0.893915 0.695818 N\n0.395809 0.606085 0.695818 N\n0.104192 0.106085 0.695818 N\n0.606085 0.604191 0.304182 N\n0.893915 0.104192 0.304182 N\n0.393915 0.395809 0.304182 N\n0.106085 0.895809 0.304182 N\n0.208240 0.291760 0.000000 N\n0.291760 0.791760 0.000000 N\n0.791760 0.708240 0.000000 N\n0.708240 0.208240 0.000000 N\n0.645951 0.145951 0.500000 N\n0.854049 0.645951 0.500000 N\n0.354049 0.854049 0.500000 N\n0.145951 0.354049 0.500000 N\n",
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"formula_full": "Mg20 Si8 N24",
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},
{
"id": "mp-1245010",
"created_at": "2022-09-04T14:41:18.722792Z",
"structure_string": "Sb50 N50\n1.0\n16.951334 0.253492 0.349239\n0.249200 15.766849 -0.059693\n0.342945 -0.055210 15.270639\nSb N\n50 50\ndirect\n0.150082 0.784740 0.345940 Sb\n0.557485 0.058105 0.497073 Sb\n0.437282 0.197793 0.481110 Sb\n0.367158 0.433415 0.203712 Sb\n0.875897 0.779914 0.413037 Sb\n0.027908 0.833585 0.474611 Sb\n0.332519 0.531389 0.370311 Sb\n0.769102 0.227049 0.557522 Sb\n0.537110 0.389054 0.210200 Sb\n0.953912 0.372918 0.374422 Sb\n0.617785 0.529910 0.716833 Sb\n0.864300 0.460914 0.164583 Sb\n0.708793 0.576900 0.971634 Sb\n0.708034 0.679165 0.581044 Sb\n0.473388 0.741612 0.637154 Sb\n0.858172 0.525198 0.348347 Sb\n0.679689 0.529254 0.159786 Sb\n0.248787 0.390500 0.458059 Sb\n0.221597 0.675563 0.476894 Sb\n0.368923 0.559786 0.575698 Sb\n0.604323 0.730138 0.803723 Sb\n0.039358 0.592759 0.366967 Sb\n0.304453 0.399483 0.634446 Sb\n0.040254 0.558328 0.111823 Sb\n0.886546 0.956858 0.548471 Sb\n0.652097 0.900800 0.711148 Sb\n0.763024 0.461414 0.787349 Sb\n0.508694 0.971445 0.647341 Sb\n0.755593 0.044840 0.401665 Sb\n0.186990 0.452258 0.131844 Sb\n0.930296 0.693087 0.568281 Sb\n0.578512 0.304753 0.604444 Sb\n0.753541 0.061008 0.638563 Sb\n0.413784 0.255364 0.658312 Sb\n0.723641 0.411912 0.334371 Sb\n0.436496 0.619991 0.795950 Sb\n0.469242 0.402124 0.450358 Sb\n0.093564 0.616417 0.597538 Sb\n0.806652 0.486628 0.595599 Sb\n0.712312 0.296725 0.762290 Sb\n0.559806 0.519591 0.951136 Sb\n0.479205 0.603786 0.127526 Sb\n0.624992 0.263915 0.372988 Sb\n0.652016 0.502761 0.503641 Sb\n0.847741 0.297212 0.247428 Sb\n0.894391 0.164880 0.437913 Sb\n0.196168 0.612757 0.228282 Sb\n0.686408 0.880065 0.524464 Sb\n0.092170 0.458424 0.505106 Sb\n0.048501 0.355615 0.206210 Sb\n0.947807 0.077149 0.122554 N\n0.965047 0.985342 0.854502 N\n0.559180 0.519339 0.185001 N\n0.430469 0.532762 0.453619 N\n0.817519 0.117547 0.956715 N\n0.527505 0.885746 0.179160 N\n0.439801 0.832974 0.380300 N\n0.056321 0.764685 0.796954 N\n0.001937 0.058598 0.082266 N\n0.327899 0.234834 0.024954 N\n0.501475 0.983213 0.901210 N\n0.303491 0.746054 0.693287 N\n0.042252 0.328449 0.940923 N\n0.008734 0.958395 0.899939 N\n0.984019 0.446230 0.140013 N\n0.445842 0.019959 0.918640 N\n0.796033 0.162456 0.009635 N\n0.194143 0.214359 0.732463 N\n0.816068 0.616564 0.590809 N\n0.047309 0.145199 0.290335 N\n0.769591 0.175858 0.420558 N\n0.638255 0.737399 0.316604 N\n0.668823 0.695053 0.261979 N\n0.419390 0.767570 0.392917 N\n0.872294 0.035090 0.442142 N\n0.247479 0.763091 0.022506 N\n0.155201 0.647481 0.366555 N\n0.564234 0.223957 0.490470 N\n0.086311 0.771889 0.859868 N\n0.187114 0.246215 0.797720 N\n0.347051 0.777626 0.637839 N\n0.648787 0.655291 0.698170 N\n0.930378 0.659851 0.919517 N\n0.979738 0.309081 0.947625 N\n0.469845 0.863819 0.156905 N\n0.259749 0.715791 0.743862 N\n0.811745 0.868164 0.497412 N\n0.071868 0.600647 0.234859 N\n0.877470 0.690924 0.891482 N\n0.188953 0.747404 0.052997 N\n0.552716 0.585500 0.830169 N\n0.697931 0.019156 0.524430 N\n0.377322 0.548576 0.146454 N\n0.452192 0.610085 0.657686 N\n0.484114 0.739508 0.771292 N\n0.546294 0.371427 0.344085 N\n0.088090 0.088464 0.292122 N\n0.559857 0.418100 0.538303 N\n0.279334 0.206302 0.989090 N\n0.704925 0.655787 0.203065 N\n",
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"volume": 4078.4513999836577,
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"formula_full": "Sb50 N50",
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"updated_at": "2021-11-28T01:35:16.355000Z",
"spacegroup": 1
},
{
"id": "mp-1078018",
"created_at": "2022-09-04T14:46:30.039760Z",
"structure_string": "La1 Cl3 O3\n1.0\n3.531202 -6.116222 0.000000\n3.531202 6.116222 0.000000\n0.000000 0.000000 4.079032\nLa Cl O\n1 3 3\ndirect\n0.000000 0.000000 0.000000 La\n0.701442 0.000000 0.500000 Cl\n0.000000 0.701442 0.500000 Cl\n0.298558 0.298558 0.500000 Cl\n0.646740 0.646740 0.000000 O\n0.353260 0.000000 0.000000 O\n0.000000 0.353260 0.000000 O\n",
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"formula_full": "La1 Cl3 O3",
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"energy": -29.50088111,
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{
"id": "mp-864942",
"created_at": "2022-09-04T14:42:08.019578Z",
"structure_string": "Mg6 Tc2 H14\n1.0\n2.420473 -4.192382 0.000000\n2.420473 4.192382 0.000000\n0.000000 0.000000 10.537206\nMg Tc H\n6 2 14\ndirect\n0.000000 0.000000 0.250000 Mg\n0.000000 0.000000 0.750000 Mg\n0.333333 0.666667 0.432580 Mg\n0.666667 0.333333 0.567420 Mg\n0.666667 0.333333 0.932580 Mg\n0.333333 0.666667 0.067420 Mg\n0.000000 0.000000 0.500000 Tc\n0.000000 0.000000 0.000000 Tc\n0.333333 0.666667 0.250000 H\n0.666667 0.333333 0.750000 H\n0.168603 0.831397 0.901900 H\n0.168603 0.337206 0.901900 H\n0.662794 0.831397 0.901900 H\n0.831397 0.168603 0.098100 H\n0.831397 0.662794 0.098100 H\n0.337206 0.168603 0.098100 H\n0.831397 0.168603 0.401900 H\n0.831397 0.662794 0.401900 H\n0.337206 0.168603 0.401900 H\n0.168603 0.831397 0.598100 H\n0.168603 0.337206 0.598100 H\n0.662794 0.831397 0.598100 H\n",
"nsites": 22,
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],
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"formula_full": "Mg6 Tc2 H14",
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{
"id": "mp-540628",
"created_at": "2022-09-04T14:41:59.848469Z",
"structure_string": "Al8 Te16 Cl32\n1.0\n11.675701 0.000000 0.000000\n0.000000 12.223027 0.000000\n0.000000 0.000000 14.279942\nAl Te Cl\n8 16 32\ndirect\n0.602394 0.911333 0.354814 Al\n0.102394 0.088667 0.145186 Al\n0.897606 0.411333 0.645186 Al\n0.397606 0.588667 0.854814 Al\n0.397606 0.088667 0.645186 Al\n0.897606 0.911333 0.854814 Al\n0.102394 0.588667 0.354814 Al\n0.602394 0.411333 0.145186 Al\n0.004015 0.635401 0.068314 Te\n0.504015 0.364599 0.431686 Te\n0.495985 0.135401 0.931686 Te\n0.995985 0.864599 0.568314 Te\n0.995985 0.364599 0.931686 Te\n0.495985 0.635401 0.568314 Te\n0.504015 0.864599 0.068314 Te\n0.004015 0.135401 0.431686 Te\n0.613016 0.560335 0.416638 Te\n0.113016 0.439665 0.083362 Te\n0.886984 0.060335 0.583362 Te\n0.386984 0.939665 0.916638 Te\n0.386984 0.439665 0.583362 Te\n0.886984 0.560335 0.916638 Te\n0.113016 0.939665 0.416638 Te\n0.613016 0.060335 0.083362 Te\n0.616204 0.582053 0.115256 Cl\n0.116204 0.417947 0.384744 Cl\n0.883796 0.082053 0.884744 Cl\n0.383796 0.917947 0.615256 Cl\n0.383796 0.417947 0.884744 Cl\n0.883796 0.582053 0.615256 Cl\n0.116204 0.917947 0.115256 Cl\n0.616204 0.082053 0.384744 Cl\n0.931870 0.643655 0.326820 Cl\n0.431870 0.356345 0.173180 Cl\n0.568130 0.143655 0.673180 Cl\n0.068130 0.856345 0.826820 Cl\n0.068130 0.356345 0.673180 Cl\n0.568130 0.643655 0.826820 Cl\n0.431870 0.856345 0.326820 Cl\n0.931870 0.143655 0.173180 Cl\n0.676328 0.815541 0.469370 Cl\n0.176328 0.184459 0.030630 Cl\n0.823672 0.315541 0.530630 Cl\n0.323672 0.684459 0.969370 Cl\n0.323672 0.184459 0.530630 Cl\n0.823672 0.815541 0.969370 Cl\n0.176328 0.684459 0.469370 Cl\n0.676328 0.315541 0.030630 Cl\n0.706938 0.876766 0.231143 Cl\n0.206938 0.123234 0.268857 Cl\n0.793062 0.376766 0.768857 Cl\n0.293062 0.623234 0.731143 Cl\n0.293062 0.123234 0.768857 Cl\n0.793062 0.876766 0.731143 Cl\n0.206938 0.623234 0.231143 Cl\n0.706938 0.376766 0.268857 Cl\n",
"nsites": 56,
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"volume": 2037.9249170160206,
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"formula_full": "Al8 Te16 Cl32",
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"energy": -215.53611111,
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},
{
"id": "mp-1016630",
"created_at": "2022-09-04T14:46:17.438695Z",
"structure_string": "Mg6 Nb1 C1\n1.0\n2.773453 -5.956514 0.000000\n2.773453 5.956514 0.000000\n0.000000 0.000000 4.559689\nMg Nb C\n6 1 1\ndirect\n0.308167 0.200975 0.500000 Mg\n0.799025 0.691833 0.500000 Mg\n0.165931 0.338926 0.000000 Mg\n0.661074 0.834069 0.000000 Mg\n0.663386 0.336614 0.000000 Mg\n0.198377 0.801623 0.000000 Mg\n0.811309 0.188691 0.500000 Nb\n0.392735 0.607265 0.500000 C\n",
"nsites": 8,
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"elements": [
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