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"results": [
{
"id": "mp-691129",
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"structure_string": "V5 N4 O1\n1.0\n-3.427632 3.427632 2.142846\n3.427632 -3.427632 2.142846\n3.427632 3.427632 -2.142846\nV N O\n5 4 1\ndirect\n0.693204 0.890483 0.583687 V\n0.890483 0.306796 0.197278 V\n0.109517 0.693204 0.802722 V\n0.306796 0.109517 0.416313 V\n0.500000 0.500000 0.000000 V\n0.201441 0.397544 0.598985 N\n0.397544 0.798559 0.196103 N\n0.602456 0.201441 0.803897 N\n0.798559 0.602456 0.401015 N\n0.000000 0.000000 0.000000 O\n",
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{
"id": "mp-776175",
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"structure_string": "Li4 Ti3 V2 Sn3 O16\n1.0\n3.069500 5.345179 0.000000\n-3.069500 5.345179 0.000000\n0.000000 0.094897 9.913251\nLi Ti V Sn O\n4 3 2 3 16\ndirect\n0.669684 0.669684 0.886198 Li\n0.991350 0.991350 0.995205 Li\n0.992003 0.992003 0.501407 Li\n0.335869 0.335869 0.393981 Li\n0.832454 0.832454 0.216767 Ti\n0.662962 0.167676 0.715281 Ti\n0.167676 0.662962 0.715281 Ti\n0.670571 0.670571 0.491822 V\n0.336983 0.336983 0.985197 V\n0.832973 0.338912 0.215613 Sn\n0.338912 0.832973 0.215613 Sn\n0.169086 0.169086 0.710326 Sn\n0.831460 0.315247 0.603131 O\n0.519423 0.519423 0.341680 O\n0.674810 0.674810 0.099391 O\n0.994368 0.994368 0.319394 O\n0.994214 0.994214 0.812500 O\n0.315247 0.831460 0.603131 O\n0.965344 0.527103 0.335833 O\n0.527103 0.965344 0.335833 O\n0.155797 0.155797 0.095816 O\n0.840860 0.840860 0.610686 O\n0.490561 0.037816 0.831580 O\n0.037816 0.490561 0.831580 O\n0.342388 0.342388 0.602951 O\n0.682429 0.149436 0.107312 O\n0.480989 0.480989 0.826807 O\n0.149436 0.682429 0.107312 O\n",
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"formula_full": "Li4 Ti3 V2 Sn3 O16",
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"spacegroup": 8
},
{
"id": "mp-1044616",
"created_at": "2022-09-04T14:47:12.757491Z",
"structure_string": "Si2 Sb2 Mo13 O28\n1.0\n5.810769 0.113284 1.399870\n1.959287 8.717983 0.477006\n-0.028286 0.063709 12.632442\nSi Sb Mo O\n2 2 13 28\ndirect\n0.211914 0.313436 0.000130 Si\n0.790761 0.684343 0.000760 Si\n0.843672 0.998714 0.308311 Sb\n0.159585 0.000401 0.692741 Sb\n0.893609 0.622410 0.700971 Mo\n0.630818 0.351991 0.144169 Mo\n0.404583 0.377393 0.700208 Mo\n0.104231 0.376583 0.298901 Mo\n0.372799 0.645540 0.855753 Mo\n0.285673 0.999695 0.429953 Mo\n0.229202 0.646368 0.145257 Mo\n0.001206 0.998759 0.999404 Mo\n0.428310 0.999518 0.146331 Mo\n0.772360 0.352548 0.855847 Mo\n0.594420 0.622333 0.299795 Mo\n0.572957 0.998939 0.853585 Mo\n0.716189 0.999159 0.571013 Mo\n0.776150 0.387600 0.268678 O\n0.140085 0.379061 0.428738 O\n0.930434 0.348384 0.999157 O\n0.297423 0.120023 0.999717 O\n0.858041 0.618097 0.571159 O\n0.221716 0.611396 0.732946 O\n0.011597 0.100764 0.571057 O\n0.990311 0.898041 0.430288 O\n0.704505 0.877795 0.999656 O\n0.169274 0.882988 0.127276 O\n0.267968 0.376455 0.108527 O\n0.954608 0.609587 0.264865 O\n0.423172 0.897409 0.570592 O\n0.706619 0.115842 0.125068 O\n0.625465 0.620858 0.108299 O\n0.072642 0.650235 0.000957 O\n0.295900 0.882566 0.872720 O\n0.833221 0.115117 0.871408 O\n0.579295 0.101232 0.430345 O\n0.185194 0.132615 0.281475 O\n0.813495 0.866193 0.719012 O\n0.378014 0.377676 0.893370 O\n0.459479 0.131373 0.717366 O\n0.577568 0.377337 0.572169 O\n0.731935 0.620033 0.893496 O\n0.538729 0.866926 0.282983 O\n0.044892 0.388919 0.735463 O\n0.421005 0.621274 0.427593 O\n",
"nsites": 45,
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"elements": [
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"Mo",
"O"
],
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"density_atomic": 0.07059105122144856,
"volume": 637.4745696707671,
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"formula_full": "Si2 Sb2 Mo13 O28",
"formula_reduced": "Si2Sb2Mo13O28",
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"energy": -375.6329824099999,
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},
{
"id": "mp-1025728",
"created_at": "2022-09-04T14:47:12.769331Z",
"structure_string": "Te2 Mo3 Se4\n1.0\n1.699554 -2.943714 0.000000\n1.699554 2.943714 0.000000\n0.000000 0.000000 31.373546\nTe Mo Se\n2 3 4\ndirect\n0.000000 0.000000 0.059574 Te\n0.000000 0.000000 0.940426 Te\n0.000000 0.000000 0.768647 Mo\n0.000000 0.000000 0.231353 Mo\n0.333333 0.666667 0.000000 Mo\n0.333333 0.666667 0.716187 Se\n0.333333 0.666667 0.178862 Se\n0.333333 0.666667 0.821138 Se\n0.333333 0.666667 0.283813 Se\n",
"nsites": 9,
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"elements": [
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"density": 4.543047623905867,
"density_atomic": 0.028669381566261542,
"volume": 313.92375797151146,
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"formula_full": "Te2 Mo3 Se4",
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"formula_anonymous": "A2B3C4",
"energy": -60.17401715,
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"spacegroup": 187
},
{
"id": "mp-1234155",
"created_at": "2022-09-04T14:47:13.130502Z",
"structure_string": "Sm2 Mg1 Mo2 I8 O30\n1.0\n-6.344304 0.108846 2.949431\n-0.043240 -0.088048 -7.261374\n0.161977 -14.492156 -0.181084\nSm Mg Mo I O\n2 1 2 8 30\ndirect\n0.121901 0.472870 0.445128 Sm\n0.913317 0.572364 0.942569 Sm\n0.661748 0.110415 0.385268 Mg\n0.579246 0.747613 0.257302 Mo\n0.406470 0.217638 0.779807 Mo\n0.521106 0.755454 0.022959 I\n0.482290 0.265360 0.545396 I\n0.739726 0.269233 0.180058 I\n0.243353 0.706558 0.698355 I\n0.151459 0.960218 0.308554 I\n0.849638 0.065018 0.820307 I\n0.782941 0.880636 0.541171 I\n0.229338 0.127811 0.045815 I\n0.396891 0.694809 0.140737 O\n0.624943 0.321520 0.655864 O\n0.278197 0.639572 0.956354 O\n0.706915 0.349488 0.465991 O\n0.598507 0.542235 0.025101 O\n0.432081 0.493892 0.527562 O\n0.755363 0.018606 0.169024 O\n0.251723 0.967047 0.679969 O\n0.940846 0.410812 0.098634 O\n0.095005 0.608273 0.591060 O\n0.873531 0.321790 0.297922 O\n0.037814 0.613656 0.782820 O\n0.430569 0.985581 0.290668 O\n0.568692 0.022028 0.798960 O\n0.241760 0.187048 0.377460 O\n0.771065 0.820791 0.880346 O\n0.098321 0.771780 0.403530 O\n0.905268 0.235552 0.918216 O\n0.549825 0.926062 0.501477 O\n0.476099 0.094622 0.039116 O\n0.740988 0.862378 0.663555 O\n0.242776 0.178667 0.169575 O\n0.974985 0.144641 0.522713 O\n0.037886 0.862949 0.043208 O\n0.772007 0.908044 0.346894 O\n0.211109 0.076179 0.863869 O\n0.371548 0.586178 0.327597 O\n0.608384 0.401793 0.846005 O\n0.722152 0.612829 0.224937 O\n0.268886 0.347396 0.722831 O\n",
"nsites": 43,
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"elements": [
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],
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"density": 4.992167082421634,
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"volume": 669.290188932186,
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"formula_full": "Sm2 Mg1 Mo2 I8 O30",
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"energy": -257.80468467,
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{
"id": "mp-1068966",
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"structure_string": "K5\n1.0\n4.459769 -6.503227 0.000000\n4.459769 6.503227 0.000000\n0.000000 0.000000 8.659120\nK\n5\ndirect\n0.000000 0.000000 0.000000 K\n0.000000 0.500000 0.747291 K\n0.500000 0.000000 0.747291 K\n0.500000 0.000000 0.252709 K\n0.000000 0.500000 0.252709 K\n",
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{
"id": "mp-29198",
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"structure_string": "Na10 Au2 Se24\n1.0\n17.200485 0.000000 0.000000\n0.000000 7.225209 0.000000\n0.000000 2.411733 8.121009\nNa Au Se\n10 2 24\ndirect\n0.353363 0.777460 0.349069 Na\n0.853363 0.222540 0.650931 Na\n0.937935 0.779867 0.017747 Na\n0.437935 0.220133 0.982253 Na\n0.070907 0.293150 0.441678 Na\n0.570907 0.706850 0.558322 Na\n0.761390 0.663545 0.286811 Na\n0.261390 0.336455 0.713189 Na\n0.139018 0.878768 0.102724 Na\n0.639018 0.121232 0.897276 Na\n0.850128 0.216237 0.158947 Au\n0.350128 0.783763 0.841053 Au\n0.787698 0.009724 0.423951 Se\n0.545832 0.951296 0.212252 Se\n0.720472 0.388221 0.081047 Se\n0.220472 0.611779 0.918953 Se\n0.980980 0.048249 0.246776 Se\n0.480980 0.951751 0.753224 Se\n0.911415 0.424995 0.893785 Se\n0.287698 0.990276 0.576049 Se\n0.448935 0.216399 0.517441 Se\n0.411415 0.575005 0.106215 Se\n0.751934 0.634557 0.832037 Se\n0.251934 0.365443 0.167963 Se\n0.948935 0.783601 0.482559 Se\n0.187723 0.605585 0.422068 Se\n0.661936 0.155790 0.435858 Se\n0.161936 0.844210 0.564142 Se\n0.043623 0.312099 0.904646 Se\n0.543623 0.687901 0.095354 Se\n0.780743 0.903535 0.934630 Se\n0.280743 0.096465 0.065370 Se\n0.927847 0.525909 0.362804 Se\n0.427847 0.474091 0.637196 Se\n0.687723 0.394415 0.577932 Se\n0.045832 0.048704 0.787748 Se\n",
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"formula_full": "Na10 Au2 Se24",
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{
"id": "mp-1078607",
"created_at": "2022-09-04T14:47:13.190016Z",
"structure_string": "Bi4 Se4\n1.0\n8.945773 0.000000 0.000000\n0.000000 4.967208 0.000000\n0.000000 4.558980 5.887729\nBi Se\n4 4\ndirect\n0.366554 0.599365 0.091766 Bi\n0.133446 0.599365 0.591766 Bi\n0.633446 0.400635 0.908234 Bi\n0.866554 0.400635 0.408234 Bi\n0.345802 0.163205 0.628127 Se\n0.154198 0.163205 0.128127 Se\n0.654198 0.836795 0.371873 Se\n0.845802 0.836795 0.871873 Se\n",
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"formula_full": "Bi4 Se4",
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{
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{
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{
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"structure_string": "Cs2 Mn1 F5\n1.0\n6.512570 0.000000 0.000000\n0.000000 6.512570 0.000000\n0.000000 0.000000 4.306486\nCs Mn F\n2 1 5\ndirect\n0.500000 0.000000 0.500000 Cs\n0.000000 0.500000 0.500000 Cs\n0.000000 0.000000 0.000000 Mn\n0.793222 0.793222 0.000000 F\n0.793222 0.206778 0.000000 F\n0.206778 0.793222 0.000000 F\n0.000000 0.000000 0.500000 F\n0.206778 0.206778 0.000000 F\n",
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