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{
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{
"id": "mp-725945",
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"structure_string": "Ta4 Br20 N8\n1.0\n7.498460 0.000000 0.000000\n0.000000 7.498460 0.000000\n0.000000 0.000000 19.966445\nTa Br N\n4 20 8\ndirect\n0.500000 0.500000 0.405205 Ta\n0.000000 0.000000 0.905205 Ta\n0.500000 0.500000 0.594795 Ta\n0.000000 0.000000 0.094795 Ta\n0.780910 0.683603 0.392547 Br\n0.219090 0.316397 0.392547 Br\n0.719090 0.183603 0.892547 Br\n0.280910 0.816397 0.892547 Br\n0.683603 0.219090 0.392547 Br\n0.316397 0.780910 0.392547 Br\n0.183603 0.280910 0.892547 Br\n0.816397 0.719090 0.892547 Br\n0.219090 0.316397 0.607453 Br\n0.780910 0.683603 0.607453 Br\n0.280910 0.816397 0.107453 Br\n0.719090 0.183603 0.107453 Br\n0.316397 0.780910 0.607453 Br\n0.683603 0.219090 0.607453 Br\n0.816397 0.719090 0.107453 Br\n0.183603 0.280910 0.107453 Br\n0.500000 0.500000 0.266831 Br\n0.000000 0.000000 0.766831 Br\n0.500000 0.500000 0.733169 Br\n0.000000 0.000000 0.233169 Br\n0.500000 0.500000 0.000000 N\n0.000000 0.000000 0.500000 N\n0.000000 0.500000 0.250000 N\n0.500000 0.000000 0.750000 N\n0.500000 0.000000 0.250000 N\n0.000000 0.500000 0.750000 N\n0.500000 0.500000 0.500000 N\n0.000000 0.000000 0.000000 N\n",
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"formula_full": "Ta4 Br20 N8",
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{
"id": "mp-571448",
"created_at": "2022-09-04T14:45:58.643506Z",
"structure_string": "Cs2 Pu1 Cl6\n1.0\n3.830711 -6.634986 0.000000\n3.830711 6.634986 0.000000\n0.000000 0.000000 6.211542\nCs Pu Cl\n2 1 6\ndirect\n0.666667 0.333333 0.253772 Cs\n0.333333 0.666667 0.746228 Cs\n0.000000 0.000000 0.000000 Pu\n0.837264 0.162736 0.766790 Cl\n0.674527 0.837264 0.233210 Cl\n0.325473 0.162736 0.766790 Cl\n0.162736 0.325473 0.233210 Cl\n0.162736 0.837264 0.233210 Cl\n0.837264 0.674527 0.766790 Cl\n",
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"volume": 315.75397122520025,
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"updated_at": "2021-11-28T01:37:12.040000Z",
"spacegroup": 164
},
{
"id": "mp-546285",
"created_at": "2022-09-04T14:45:12.659784Z",
"structure_string": "Nb2 I6 O2\n1.0\n2.004154 7.800478 0.000000\n-2.004154 7.800478 0.000000\n0.000000 6.974810 11.220883\nNb I O\n2 6 2\ndirect\n0.178813 0.069532 0.804120 Nb\n0.930468 0.821187 0.195880 Nb\n0.326808 0.320275 0.713921 I\n0.093169 0.098415 0.042561 I\n0.895468 0.887949 0.387645 I\n0.901585 0.906831 0.957439 I\n0.679725 0.673192 0.286079 I\n0.112051 0.104532 0.612355 I\n0.391095 0.370232 0.188373 O\n0.629768 0.608905 0.811627 O\n",
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"density": 4.634770012578029,
"density_atomic": 0.0285030059949421,
"volume": 350.8401886374551,
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"formula_full": "Nb2 I6 O2",
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"formula_anonymous": "ABC3",
"energy": -53.29622354999999,
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"updated_at": "2021-11-28T01:36:52.147000Z",
"spacegroup": 5
},
{
"id": "mp-542281",
"created_at": "2022-09-04T14:43:54.169597Z",
"structure_string": "K2 Gd2 Te8\n1.0\n6.859354 0.000000 0.000000\n0.000000 6.859354 0.000000\n0.000000 0.000000 8.947984\nK Gd Te\n2 2 8\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.000000 K\n0.000000 0.000000 0.500000 Gd\n0.500000 0.500000 0.500000 Gd\n0.353495 0.853495 0.289299 Te\n0.146505 0.353495 0.289299 Te\n0.853495 0.646505 0.289299 Te\n0.353495 0.146505 0.710701 Te\n0.646505 0.853495 0.710701 Te\n0.646505 0.146505 0.289299 Te\n0.853495 0.353495 0.710701 Te\n0.146505 0.646505 0.710701 Te\n",
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],
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"density": 5.57509450286952,
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"volume": 421.0092445245868,
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"formula_full": "K2 Gd2 Te8",
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{
"id": "mp-1210520",
"created_at": "2022-09-04T14:44:13.355676Z",
"structure_string": "Rb8 Ta4 Ag4 S8\n1.0\n5.881509 0.000000 0.000000\n2.940754 6.185233 0.000000\n2.940754 0.000000 23.146372\nRb Ta Ag S\n8 4 4 8\ndirect\n0.504382 0.271682 0.607962 Rb\n0.887656 0.728318 0.607962 Rb\n0.223936 0.271682 0.392038 Rb\n0.245618 0.228318 0.892038 Rb\n0.384026 0.728318 0.392038 Rb\n0.862344 0.771682 0.892038 Rb\n0.526064 0.228318 0.107962 Rb\n0.365974 0.771682 0.107962 Rb\n0.875000 0.250000 0.250000 Ta\n0.875000 0.750000 0.250000 Ta\n0.875000 0.250000 0.750000 Ta\n0.375000 0.750000 0.750000 Ta\n0.375000 0.250000 0.250000 Ag\n0.375000 0.750000 0.250000 Ag\n0.375000 0.250000 0.750000 Ag\n0.875000 0.750000 0.750000 Ag\n0.990836 0.239010 0.151350 S\n0.857814 0.760990 0.151350 S\n0.770154 0.239010 0.848650 S\n0.759164 0.260990 0.348650 S\n0.381196 0.760990 0.848650 S\n0.892186 0.739010 0.348650 S\n0.979846 0.260990 0.651350 S\n0.368804 0.739010 0.651350 S\n",
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"formula_full": "Rb8 Ta4 Ag4 S8",
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"updated_at": "2021-11-28T01:36:26.563000Z",
"spacegroup": 70
},
{
"id": "mp-1184733",
"created_at": "2022-09-04T14:39:47.319144Z",
"structure_string": "Gd1 Th3\n1.0\n5.196684 0.000000 0.000000\n0.000000 5.196684 0.000000\n0.000000 0.000000 5.196684\nGd Th\n1 3\ndirect\n0.000000 0.000000 0.000000 Gd\n0.000000 0.500000 0.500000 Th\n0.500000 0.000000 0.500000 Th\n0.500000 0.500000 0.000000 Th\n",
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"updated_at": "2021-11-28T01:34:33.433000Z",
"spacegroup": 221
},
{
"id": "mp-863757",
"created_at": "2022-09-04T14:43:09.548777Z",
"structure_string": "K4 Sb2 Au2\n1.0\n3.983243 -5.307912 0.000000\n3.983243 5.307912 0.000000\n0.000000 0.000000 6.638572\nK Sb Au\n4 2 2\ndirect\n0.835294 0.493173 0.750000 K\n0.506827 0.164706 0.250000 K\n0.493173 0.835294 0.750000 K\n0.164706 0.506827 0.250000 K\n0.733401 0.733401 0.250000 Sb\n0.266599 0.266599 0.750000 Sb\n0.000000 0.000000 0.000000 Au\n0.000000 0.000000 0.500000 Au\n",
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"updated_at": "2021-11-28T01:36:08.148000Z",
"spacegroup": 63
},
{
"id": "mp-1079732",
"created_at": "2022-09-04T14:40:26.931769Z",
"structure_string": "Te1 Br6 N2\n1.0\n0.000000 5.405049 5.405049\n5.405049 0.000000 5.405049\n5.405049 5.405049 0.000000\nTe Br N\n1 6 2\ndirect\n0.000000 0.000000 0.000000 Te\n0.760532 0.760532 0.239468 Br\n0.239468 0.760532 0.239468 Br\n0.760532 0.239468 0.239468 Br\n0.239468 0.239468 0.760532 Br\n0.760532 0.239468 0.760532 Br\n0.239468 0.760532 0.760532 Br\n0.750000 0.750000 0.750000 N\n0.250000 0.250000 0.250000 N\n",
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"formula_full": "Te1 Br6 N2",
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{
"id": "mp-978967",
"created_at": "2022-09-04T14:44:01.363889Z",
"structure_string": "Sr1 Dy3\n1.0\n-2.594174 2.594174 5.214209\n2.594174 -2.594174 5.214209\n2.594174 2.594174 -5.214209\nSr Dy\n1 3\ndirect\n0.000000 0.000000 0.000000 Sr\n0.750000 0.250000 0.500000 Dy\n0.250000 0.750000 0.500000 Dy\n0.500000 0.500000 0.000000 Dy\n",
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{
"id": "mp-1112445",
"created_at": "2022-09-04T14:45:09.259384Z",
"structure_string": "K2 Tl1 Ag1 Br6\n1.0\n0.000000 5.598411 5.598411\n5.598411 0.000000 5.598411\n5.598411 5.598411 0.000000\nK Tl 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 Tl\n0.500000 0.500000 0.500000 Ag\n0.748349 0.251651 0.251651 Br\n0.251651 0.251651 0.748349 Br\n0.251651 0.748349 0.748349 Br\n0.251651 0.748349 0.251651 Br\n0.748349 0.251651 0.748349 Br\n0.748349 0.748349 0.251651 Br\n",
"nsites": 10,
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{
"id": "mp-1112924",
"created_at": "2022-09-04T14:48:26.014094Z",
"structure_string": "Cs2 In1 Au1 Br6\n1.0\n0.000000 5.598479 5.598479\n5.598479 0.000000 5.598479\n5.598479 5.598479 0.000000\nCs In Au Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 Au\n0.752506 0.247494 0.247494 Br\n0.247494 0.247494 0.752506 Br\n0.247494 0.752506 0.752506 Br\n0.247494 0.752506 0.247494 Br\n0.752506 0.247494 0.752506 Br\n0.752506 0.752506 0.247494 Br\n",
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{
"id": "mp-1186527",
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"structure_string": "Pm6 Nd2\n1.0\n3.669223 -6.355280 0.000000\n3.669223 6.355280 0.000000\n0.000000 0.000000 6.020218\nPm Nd\n6 2\ndirect\n0.833601 0.166399 0.750000 Pm\n0.332798 0.166399 0.750000 Pm\n0.833601 0.667202 0.750000 Pm\n0.166399 0.833601 0.250000 Pm\n0.667202 0.833601 0.250000 Pm\n0.166399 0.332798 0.250000 Pm\n0.666667 0.333333 0.250000 Nd\n0.333333 0.666667 0.750000 Nd\n",
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]
}