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{
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{
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"spacegroup": 82
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{
"id": "mp-27629",
"created_at": "2022-09-04T14:41:11.546787Z",
"structure_string": "Cs3 Sb2 Cl9\n1.0\n3.898264 -6.751992 0.000000\n3.898264 6.751992 0.000000\n0.000000 0.000000 9.536748\nCs Sb Cl\n3 2 9\ndirect\n0.666667 0.333333 0.665532 Cs\n0.333333 0.666667 0.334468 Cs\n0.000000 0.000000 0.000000 Cs\n0.666667 0.333333 0.180700 Sb\n0.333333 0.666667 0.819300 Sb\n0.822258 0.177742 0.328465 Cl\n0.822258 0.644516 0.328465 Cl\n0.355484 0.177742 0.328465 Cl\n0.644516 0.822258 0.671535 Cl\n0.177742 0.355484 0.671535 Cl\n0.500000 0.000000 0.000000 Cl\n0.000000 0.500000 0.000000 Cl\n0.500000 0.500000 0.000000 Cl\n0.177742 0.822258 0.671535 Cl\n",
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"formula_full": "Cs3 Sb2 Cl9",
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},
{
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"structure_string": "Ce2 H2 Se2\n1.0\n2.001238 -3.466245 0.000000\n2.001238 3.466245 0.000000\n0.000000 0.000000 7.908256\nCe H Se\n2 2 2\ndirect\n0.666667 0.333333 0.750000 Ce\n0.333333 0.666667 0.250000 Ce\n0.666667 0.333333 0.250000 H\n0.333333 0.666667 0.750000 H\n0.000000 0.000000 0.000000 Se\n0.000000 0.000000 0.500000 Se\n",
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{
"id": "mp-1096716",
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"structure_string": "Ca1 Y1 Cd2\n1.0\n-6.449112 6.484018 9.170540\n6.449112 -6.484018 9.170540\n6.449112 6.484018 -9.170540\nCa Y Cd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.500000 Y\n0.000000 0.255929 0.255929 Cd\n0.000000 0.744071 0.744071 Cd\n",
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{
"id": "mp-974425",
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"structure_string": "Re6 Si2\n1.0\n2.746144 -4.756461 0.000000\n2.746144 4.756461 0.000000\n0.000000 0.000000 4.426652\nRe Si\n6 2\ndirect\n0.170289 0.340578 0.250000 Re\n0.659422 0.829711 0.250000 Re\n0.170289 0.829711 0.250000 Re\n0.829711 0.659422 0.750000 Re\n0.340578 0.170289 0.750000 Re\n0.829711 0.170289 0.750000 Re\n0.333333 0.666667 0.750000 Si\n0.666667 0.333333 0.250000 Si\n",
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{
"id": "mp-1048171",
"created_at": "2022-09-04T14:41:11.614471Z",
"structure_string": "Ba2 Al1 Cr3 O8\n1.0\n3.897073 0.000000 0.000000\n0.000000 3.897073 0.000000\n0.000000 0.000000 11.646640\nBa Al Cr O\n2 1 3 8\ndirect\n0.500000 0.500000 0.166734 Ba\n0.500000 0.500000 0.833266 Ba\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.352858 Cr\n0.000000 0.000000 0.000000 Cr\n0.000000 0.000000 0.647142 Cr\n0.000000 0.500000 0.392307 O\n0.500000 0.000000 0.392307 O\n0.500000 0.000000 0.000000 O\n0.000000 0.000000 0.188506 O\n0.000000 0.500000 0.607693 O\n0.500000 0.000000 0.607693 O\n0.000000 0.000000 0.811494 O\n0.000000 0.500000 0.000000 O\n",
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{
"id": "mp-667426",
"created_at": "2022-09-04T14:41:11.618034Z",
"structure_string": "Bi32 Te32 O112\n1.0\n5.617935 0.000000 0.000000\n0.000000 22.393526 0.000000\n0.000000 0.000000 22.923812\nBi Te O\n32 32 112\ndirect\n0.489604 0.820794 0.306471 Bi\n0.544368 0.930686 0.944476 Bi\n0.020977 0.943774 0.312280 Bi\n0.044368 0.569314 0.444476 Bi\n0.955632 0.069314 0.444476 Bi\n0.489604 0.679206 0.693529 Bi\n0.989604 0.679206 0.806471 Bi\n0.044368 0.930686 0.555524 Bi\n0.497567 0.195837 0.193555 Bi\n0.997567 0.304163 0.693555 Bi\n0.010396 0.320794 0.193529 Bi\n0.455632 0.430686 0.944476 Bi\n0.497567 0.304163 0.806445 Bi\n0.002433 0.695837 0.306445 Bi\n0.989604 0.820794 0.193529 Bi\n0.455632 0.069314 0.055524 Bi\n0.010396 0.179206 0.806471 Bi\n0.020977 0.556226 0.687720 Bi\n0.002433 0.804163 0.693555 Bi\n0.955632 0.430686 0.555524 Bi\n0.502433 0.804163 0.806445 Bi\n0.997567 0.195837 0.306445 Bi\n0.520977 0.556226 0.812280 Bi\n0.979023 0.443774 0.312280 Bi\n0.979023 0.056226 0.687720 Bi\n0.510396 0.320794 0.306471 Bi\n0.502433 0.695837 0.193555 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Te\n0.511983 0.311451 0.067424 Te\n0.004070 0.693339 0.066361 Te\n0.000131 0.943263 0.064065 Te\n0.575915 0.933883 0.688572 Te\n0.011983 0.311451 0.432576 Te\n0.696895 0.632660 0.266787 O\n0.282146 0.142515 0.973822 O\n0.755264 0.009227 0.530577 O\n0.819189 0.276045 0.868726 O\n0.363234 0.938150 0.856068 O\n0.136766 0.061850 0.356068 O\n0.743892 0.856637 0.534575 O\n0.211969 0.244804 0.749323 O\n0.811241 0.274258 0.375026 O\n0.744736 0.509227 0.969423 O\n0.711969 0.244804 0.750677 O\n0.788031 0.755196 0.250677 O\n0.153634 0.368723 0.382163 O\n0.755264 0.490773 0.469423 O\n0.205587 0.622616 0.741801 O\n0.196895 0.867340 0.766787 O\n0.346366 0.868723 0.117837 O\n0.312125 0.636547 0.392798 O\n0.288031 0.744804 0.750677 O\n0.187875 0.136547 0.107202 O\n0.217854 0.642515 0.526178 O\n0.688759 0.774258 0.124974 O\n0.180811 0.776045 0.868726 O\n0.688759 0.725742 0.875026 O\n0.313907 0.505162 0.398627 O\n0.311241 0.225742 0.875026 O\n0.313907 0.994838 0.601373 O\n0.705402 0.504142 0.261631 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{
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{
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{
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}