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{
"id": "mp-1188392",
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"structure_string": "Li4 In4 S8\n1.0\n6.555235 0.000000 0.000000\n0.000000 7.016093 0.000000\n0.000000 0.000000 8.155499\nLi In S\n4 4 8\ndirect\n0.570835 0.588966 0.116471 Li\n0.070835 0.411034 0.883529 Li\n0.070835 0.911034 0.616471 Li\n0.570835 0.088966 0.383529 Li\n0.062748 0.918738 0.124313 In\n0.562748 0.081262 0.875687 In\n0.562748 0.581262 0.624313 In\n0.062748 0.418738 0.375687 In\n0.192381 0.084675 0.374562 S\n0.692381 0.915325 0.625438 S\n0.692381 0.415325 0.874562 S\n0.192381 0.584675 0.125438 S\n0.681236 0.921621 0.131384 S\n0.181236 0.078379 0.868616 S\n0.181236 0.578379 0.631384 S\n0.681236 0.421621 0.368616 S\n",
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{
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"formula_full": "Mg6 Co1 C1 O8",
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"spacegroup": 123
},
{
"id": "mp-1228950",
"created_at": "2022-09-04T14:42:53.690308Z",
"structure_string": "Al1 Ga1 Cu2 Se4\n1.0\n-2.827045 2.827045 5.584655\n2.827045 -2.827045 5.584655\n2.827045 2.827045 -5.584655\nAl Ga Cu Se\n1 1 2 4\ndirect\n0.500000 0.500000 0.000000 Al\n0.750000 0.250000 0.500000 Ga\n0.250000 0.750000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.623636 0.628696 0.499710 Se\n0.128986 0.123926 0.500290 Se\n0.876074 0.376364 0.005059 Se\n0.371304 0.871014 0.994941 Se\n",
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"formula_full": "Al1 Ga1 Cu2 Se4",
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{
"id": "mp-17034",
"created_at": "2022-09-04T14:43:07.728258Z",
"structure_string": "Ba4 Li4 Co4 F24\n1.0\n10.349352 0.000000 0.000000\n0.000000 5.628371 0.000000\n0.000000 0.185147 8.542800\nBa Li Co F\n4 4 4 24\ndirect\n0.799135 0.315599 0.003308 Ba\n0.700865 0.315599 0.503308 Ba\n0.200865 0.684401 0.996692 Ba\n0.299135 0.684401 0.496692 Ba\n0.426506 0.232525 0.809277 Li\n0.926506 0.767475 0.690723 Li\n0.573494 0.767475 0.190723 Li\n0.073494 0.232525 0.309277 Li\n0.581396 0.777090 0.766875 Co\n0.918604 0.777090 0.266875 Co\n0.418604 0.222910 0.233125 Co\n0.081396 0.222910 0.733125 Co\n0.004694 0.516160 0.817555 F\n0.869686 0.102449 0.317422 F\n0.369686 0.897551 0.182578 F\n0.130314 0.897551 0.682578 F\n0.630314 0.102449 0.817422 F\n0.598589 0.109186 0.215548 F\n0.098589 0.890814 0.284452 F\n0.401411 0.890814 0.784452 F\n0.504694 0.483840 0.682445 F\n0.244949 0.378251 0.252366 F\n0.495306 0.516160 0.317555 F\n0.995306 0.483840 0.182445 F\n0.755051 0.621749 0.747634 F\n0.255051 0.378251 0.752366 F\n0.602123 0.865823 0.556129 F\n0.744949 0.621749 0.247634 F\n0.908800 0.674505 0.474323 F\n0.102123 0.134177 0.943871 F\n0.397877 0.134177 0.443871 F\n0.897877 0.865823 0.056129 F\n0.591200 0.674505 0.974323 F\n0.091200 0.325495 0.525677 F\n0.408800 0.325495 0.025677 F\n0.901411 0.109186 0.715548 F\n",
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"elements": [
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"formula_full": "Ba4 Li4 Co4 F24",
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"spacegroup": 14
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{
"id": "mp-780099",
"created_at": "2022-09-04T14:42:53.877362Z",
"structure_string": "Fe8 O4 F12\n1.0\n3.395213 4.663216 0.000000\n-3.395213 4.663216 0.000000\n0.000000 1.057123 9.247114\nFe O F\n8 4 12\ndirect\n0.899593 0.851756 0.623959 Fe\n0.626323 0.626331 0.874332 Fe\n0.491696 0.508304 0.500000 Fe\n0.729580 0.775838 0.249188 Fe\n0.224162 0.270420 0.750812 Fe\n0.373669 0.373677 0.125668 Fe\n0.148244 0.100407 0.376041 Fe\n0.034576 0.965424 0.000000 Fe\n0.922631 0.570274 0.754052 O\n0.429726 0.077369 0.245948 O\n0.188539 0.811461 0.500000 O\n0.329924 0.670076 0.000000 O\n0.807332 0.192668 0.500000 F\n0.545790 0.951477 0.748909 F\n0.970911 0.985773 0.229273 F\n0.724365 0.734478 0.476803 F\n0.479820 0.470425 0.726415 F\n0.230540 0.226908 0.976560 F\n0.529575 0.520180 0.273585 F\n0.773092 0.769460 0.023440 F\n0.265522 0.275635 0.523197 F\n0.014227 0.029089 0.770727 F\n0.711640 0.288360 0.000000 F\n0.048523 0.454210 0.251091 F\n",
"nsites": 24,
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"elements": [
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"formula_full": "Fe8 O4 F12",
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{
"id": "mp-1114034",
"created_at": "2022-09-04T14:42:53.959049Z",
"structure_string": "K1 Rb2 Tb1 Cl6\n1.0\n0.000000 5.645842 5.645842\n5.645842 0.000000 5.645842\n5.645842 5.645842 0.000000\nK Rb Tb Cl\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 K\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Tb\n0.765609 0.234391 0.234391 Cl\n0.234391 0.234391 0.765609 Cl\n0.234391 0.765609 0.765609 Cl\n0.234391 0.765609 0.234391 Cl\n0.765609 0.234391 0.765609 Cl\n0.765609 0.765609 0.234391 Cl\n",
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"spacegroup": 225
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{
"id": "mp-1112464",
"created_at": "2022-09-04T14:42:55.948224Z",
"structure_string": "K2 In1 Ag1 Br6\n1.0\n0.000000 5.544669 5.544669\n5.544669 0.000000 5.544669\n5.544669 5.544669 0.000000\nK In Ag Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 Ag\n0.754783 0.245217 0.245217 Br\n0.245217 0.245217 0.754783 Br\n0.245217 0.754783 0.754783 Br\n0.245217 0.754783 0.245217 Br\n0.754783 0.245217 0.754783 Br\n0.754783 0.754783 0.245217 Br\n",
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{
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"structure_string": "K4 Al4 S8 O56\n1.0\n15.138070 0.000000 0.000000\n0.000000 15.138070 0.000000\n0.000000 0.000000 15.138070\nK Al S O\n4 4 8 56\ndirect\n0.500000 0.500000 0.000000 K\n0.500000 0.000000 0.500000 K\n0.000000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 K\n0.000000 0.000000 0.500000 Al\n0.000000 0.500000 0.000000 Al\n0.500000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Al\n0.324715 0.675285 0.175285 S\n0.675285 0.175285 0.324715 S\n0.175285 0.324715 0.675285 S\n0.824715 0.824715 0.824715 S\n0.675285 0.324715 0.824715 S\n0.324715 0.824715 0.675285 S\n0.824715 0.675285 0.324715 S\n0.175285 0.175285 0.175285 S\n0.267734 0.732266 0.232266 O\n0.732266 0.232266 0.267734 O\n0.232266 0.267734 0.732266 O\n0.767734 0.767734 0.767734 O\n0.732266 0.267734 0.767734 O\n0.267734 0.767734 0.732266 O\n0.767734 0.732266 0.267734 O\n0.232266 0.232266 0.232266 O\n0.118277 0.813847 0.314051 O\n0.881723 0.313847 0.185949 O\n0.381723 0.186153 0.814051 O\n0.618277 0.686153 0.685949 O\n0.314051 0.118277 0.813847 O\n0.185949 0.881723 0.313847 O\n0.814051 0.381723 0.186153 O\n0.685949 0.618277 0.686153 O\n0.813847 0.314051 0.118277 O\n0.313847 0.185949 0.881723 O\n0.186153 0.814051 0.381723 O\n0.686153 0.685949 0.618277 O\n0.881723 0.186153 0.685949 O\n0.118277 0.686153 0.814051 O\n0.618277 0.813847 0.185949 O\n0.381723 0.313847 0.314051 O\n0.685949 0.881723 0.186153 O\n0.814051 0.118277 0.686153 O\n0.185949 0.618277 0.813847 O\n0.314051 0.381723 0.313847 O\n0.186153 0.685949 0.881723 O\n0.686153 0.814051 0.118277 O\n0.813847 0.185949 0.618277 O\n0.313847 0.314051 0.381723 O\n0.116103 0.975576 0.476180 O\n0.883897 0.475576 0.023820 O\n0.383897 0.024424 0.976180 O\n0.616103 0.524424 0.523820 O\n0.476180 0.116103 0.975576 O\n0.023820 0.883897 0.475576 O\n0.976180 0.383897 0.024424 O\n0.523820 0.616103 0.524424 O\n0.975576 0.476180 0.116103 O\n0.475576 0.023820 0.883897 O\n0.024424 0.976180 0.383897 O\n0.524424 0.523820 0.616103 O\n0.883897 0.024424 0.523820 O\n0.116103 0.524424 0.976180 O\n0.616103 0.975576 0.023820 O\n0.383897 0.475576 0.476180 O\n0.523820 0.883897 0.024424 O\n0.976180 0.116103 0.524424 O\n0.023820 0.616103 0.975576 O\n0.476180 0.383897 0.475576 O\n0.024424 0.523820 0.883897 O\n0.524424 0.976180 0.116103 O\n0.975576 0.023820 0.616103 O\n0.475576 0.476180 0.383897 O\n",
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{
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},
{
"id": "mp-1218227",
"created_at": "2022-09-04T14:43:00.438585Z",
"structure_string": "Sr4 La4 Cu4 Se12\n1.0\n4.295688 0.000000 0.000000\n0.000000 8.565725 0.000000\n0.000000 0.000000 16.613808\nSr La Cu Se\n4 4 4 12\ndirect\n0.250000 0.090681 0.215551 Sr\n0.250000 0.590681 0.284449 Sr\n0.750000 0.909319 0.784449 Sr\n0.750000 0.409319 0.715551 Sr\n0.250000 0.258367 0.959792 La\n0.250000 0.758367 0.540208 La\n0.750000 0.741633 0.040208 La\n0.750000 0.241633 0.459792 La\n0.250000 0.121976 0.634202 Cu\n0.250000 0.621976 0.865798 Cu\n0.750000 0.878024 0.365798 Cu\n0.750000 0.378024 0.134202 Cu\n0.250000 0.377247 0.563839 Se\n0.250000 0.877247 0.936161 Se\n0.750000 0.622753 0.436161 Se\n0.750000 0.122753 0.063839 Se\n0.250000 0.178121 0.781237 Se\n0.250000 0.678121 0.718763 Se\n0.750000 0.821879 0.218763 Se\n0.750000 0.321879 0.281237 Se\n0.250000 0.008348 0.403185 Se\n0.250000 0.508348 0.096815 Se\n0.750000 0.991652 0.596815 Se\n0.750000 0.491652 0.903185 Se\n",
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{
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"structure_string": "Ba4 Pd4 Cl16\n1.0\n7.001288 0.000000 0.000000\n0.000000 7.755877 0.000000\n0.000000 0.000000 12.683173\nBa Pd Cl\n4 4 16\ndirect\n0.500000 0.750000 0.147477 Ba\n0.000000 0.250000 0.352523 Ba\n0.500000 0.250000 0.852523 Ba\n0.000000 0.750000 0.647477 Ba\n0.000000 0.500000 0.000000 Pd\n0.500000 0.500000 0.500000 Pd\n0.500000 0.000000 0.500000 Pd\n0.000000 0.000000 0.000000 Pd\n0.888423 0.471499 0.827459 Cl\n0.388423 0.528501 0.672541 Cl\n0.611577 0.971499 0.672541 Cl\n0.111577 0.028501 0.827459 Cl\n0.111577 0.528501 0.172541 Cl\n0.611577 0.471499 0.327459 Cl\n0.388423 0.028501 0.327459 Cl\n0.888423 0.971499 0.172541 Cl\n0.794037 0.904248 0.437160 Cl\n0.294037 0.095752 0.062840 Cl\n0.705963 0.404248 0.062840 Cl\n0.205963 0.595752 0.437160 Cl\n0.205963 0.095752 0.562840 Cl\n0.705963 0.904248 0.937160 Cl\n0.294037 0.595752 0.937160 Cl\n0.794037 0.404248 0.562840 Cl\n",
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{
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]
}