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{
"id": "mp-28570",
"created_at": "2022-09-04T14:39:29.930882Z",
"structure_string": "Na4 In4 I16\n1.0\n8.177445 0.000000 0.000000\n0.000000 8.742669 0.000000\n0.000000 0.876908 16.137831\nNa In I\n4 4 16\ndirect\n0.994053 0.849105 0.376478 Na\n0.494053 0.150895 0.123522 Na\n0.005947 0.150895 0.623522 Na\n0.505947 0.849105 0.876478 Na\n0.189608 0.703800 0.601229 In\n0.689608 0.296200 0.898771 In\n0.810392 0.296200 0.398771 In\n0.310392 0.703800 0.101229 In\n0.322700 0.685607 0.445954 I\n0.822700 0.314393 0.054046 I\n0.677300 0.314393 0.554046 I\n0.177300 0.685607 0.945954 I\n0.129180 0.188976 0.426326 I\n0.629180 0.811024 0.073674 I\n0.870820 0.811024 0.573674 I\n0.370820 0.188976 0.926326 I\n0.337581 0.939005 0.683985 I\n0.837581 0.060995 0.816015 I\n0.662419 0.060995 0.316015 I\n0.162419 0.939005 0.183985 I\n0.203747 0.434886 0.696555 I\n0.703747 0.565114 0.803445 I\n0.796253 0.565114 0.303445 I\n0.296253 0.434886 0.196555 I\n",
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"formula_full": "Na2 Ga1 Hg1 Br6",
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"formula_anonymous": "ABC2D6",
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"spacegroup": 225
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{
"id": "mp-1215462",
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"structure_string": "Zn1 Cu1\n1.0\n1.488039 -2.121279 0.000000\n1.488039 2.121279 0.000000\n0.000000 0.000000 4.140746\nZn Cu\n1 1\ndirect\n0.500000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Cu\n",
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"volume": 26.140909468430443,
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{
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"created_at": "2022-09-04T14:40:42.141024Z",
"structure_string": "Sr8 Pt2\n1.0\n-6.310084 -6.310084 0.000000\n-6.310084 0.000000 -6.310084\n0.000000 -6.310084 -6.310084\nSr Pt\n8 2\ndirect\n0.620397 0.620397 0.620397 Sr\n0.138808 0.620397 0.620397 Sr\n0.620397 0.138808 0.620397 Sr\n0.611192 0.129603 0.129603 Sr\n0.129603 0.129603 0.129603 Sr\n0.620397 0.620397 0.138808 Sr\n0.129603 0.611192 0.129603 Sr\n0.129603 0.129603 0.611192 Sr\n0.000000 0.000000 0.000000 Pt\n0.750000 0.750000 0.750000 Pt\n",
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"density": 3.605698261579417,
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"spacegroup": 227
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{
"id": "mp-1093750",
"created_at": "2022-09-04T14:46:36.951300Z",
"structure_string": "Sc1 Ag1 Au2\n1.0\n-5.253800 5.778645 8.088645\n5.253800 -5.778645 8.088645\n5.253800 5.778645 -8.088645\nSc Ag Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.500000 0.500000 Ag\n0.000000 0.242574 0.242573 Au\n0.000000 0.757427 0.757426 Au\n",
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"formula_full": "Sc1 Ag1 Au2",
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"updated_at": "2021-11-28T01:37:38.576000Z",
"spacegroup": 71
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{
"id": "mp-1077462",
"created_at": "2022-09-04T14:46:36.768453Z",
"structure_string": "Hg2 N2 Cl2\n1.0\n4.106813 0.000000 0.000000\n0.000000 4.631274 0.000000\n0.000000 0.000000 7.366877\nHg N Cl\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Hg\n0.000000 0.000000 0.000000 Hg\n0.000000 0.210832 0.250000 N\n0.000000 0.789168 0.750000 N\n0.500000 0.302527 0.750000 Cl\n0.500000 0.697473 0.250000 Cl\n",
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"elements": [
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"volume": 140.11635234685548,
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"formula_full": "Hg2 N2 Cl2",
"formula_reduced": "HgNCl",
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{
"id": "mp-1183086",
"created_at": "2022-09-04T14:43:12.485195Z",
"structure_string": "Ac2 Cd1 Hg1\n1.0\n0.000000 4.065664 4.065664\n4.065664 0.000000 4.065664\n4.065664 4.065664 0.000000\nAc Cd Hg\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Ac\n0.250000 0.250000 0.250000 Ac\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 4,
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"volume": 134.40779251643895,
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"formula_full": "Ac2 Cd1 Hg1",
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"updated_at": "2021-11-28T01:36:19.473000Z",
"spacegroup": 225
},
{
"id": "mp-729886",
"created_at": "2022-09-04T14:42:08.925427Z",
"structure_string": "Cd1 Br2 N2\n1.0\n4.034899 -4.691682 0.000000\n4.034899 4.691682 0.000000\n0.000000 0.000000 3.908127\nCd Br N\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Cd\n0.233355 0.233355 0.500000 Br\n0.766645 0.766645 0.500000 Br\n0.274189 0.725811 0.000000 N\n0.725811 0.274189 0.000000 N\n",
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{
"id": "mp-1016269",
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"structure_string": "Mg7 W1\n1.0\n3.100889 -5.370897 0.000000\n3.100889 5.370897 0.000000\n0.000000 0.000000 4.943726\nMg W\n7 1\ndirect\n0.165500 0.330999 0.500000 Mg\n0.669001 0.834500 0.500000 Mg\n0.165500 0.834500 0.500000 Mg\n0.822915 0.177085 0.000000 Mg\n0.354170 0.177085 0.000000 Mg\n0.822915 0.645830 0.000000 Mg\n0.333333 0.666667 0.000000 Mg\n0.666667 0.333333 0.500000 W\n",
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{
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{
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{
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"structure_string": "Ca2 Tl1 In1\n1.0\n0.000000 3.893071 3.893071\n3.893071 0.000000 3.893071\n3.893071 3.893071 0.000000\nCa Tl In\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Ca\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 In\n",
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]
}