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{
"id": "mp-1186143",
"created_at": "2022-09-04T14:45:59.517851Z",
"structure_string": "Na1 Lu3\n1.0\n0.000000 3.892845 3.892845\n3.892845 0.000000 3.892845\n3.892845 3.892845 0.000000\nNa Lu\n1 3\ndirect\n0.000000 0.000000 0.000000 Na\n0.250000 0.250000 0.250000 Lu\n0.750000 0.750000 0.750000 Lu\n0.500000 0.500000 0.500000 Lu\n",
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{
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{
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"structure_string": "Ce2 Cu1 Si3\n1.0\n2.055633 -3.560461 0.000000\n2.055633 3.560461 0.000000\n0.000000 0.000000 8.061083\nCe Cu Si\n2 1 3\ndirect\n0.333333 0.666667 0.752267 Ce\n0.333333 0.666667 0.247733 Ce\n0.666667 0.333333 0.500000 Cu\n0.666667 0.333333 0.000000 Si\n0.000000 0.000000 0.500000 Si\n0.000000 0.000000 0.000000 Si\n",
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"formula_full": "Ce2 Cu1 Si3",
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"updated_at": "2021-11-28T01:34:39.182000Z",
"spacegroup": 187
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{
"id": "mp-1226425",
"created_at": "2022-09-04T14:48:12.946914Z",
"structure_string": "Cr3 Fe3 Ge1 As2\n1.0\n3.006500 -5.207411 0.000000\n3.006500 5.207411 0.000000\n0.000000 0.000000 3.768564\nCr Fe Ge As\n3 3 1 2\ndirect\n0.420722 0.420722 0.500000 Cr\n0.579278 0.000000 0.500000 Cr\n0.000000 0.579278 0.500000 Cr\n0.754827 0.754827 0.000000 Fe\n0.245173 0.000000 0.000000 Fe\n0.000000 0.245173 0.000000 Fe\n0.000000 0.000000 0.500000 Ge\n0.666667 0.333333 0.000000 As\n0.333333 0.666667 0.000000 As\n",
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"formula_full": "Cr3 Fe3 Ge1 As2",
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"spacegroup": 189
},
{
"id": "mp-1208638",
"created_at": "2022-09-04T14:42:07.510330Z",
"structure_string": "Sr1 Mn2 O6\n1.0\n-2.503693 -4.336522 0.000000\n-2.503693 4.336522 0.000000\n0.000000 0.000000 -5.434294\nSr Mn O\n1 2 6\ndirect\n0.000000 0.000000 0.000000 Sr\n0.666667 0.333333 0.500000 Mn\n0.333333 0.666667 0.500000 Mn\n0.566298 0.566298 0.719298 O\n0.000000 0.433702 0.719298 O\n0.566298 0.566298 0.280702 O\n0.000000 0.433702 0.280702 O\n0.433702 0.000000 0.719298 O\n0.433702 0.000000 0.280702 O\n",
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"volume": 118.00373542683569,
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"formula_full": "Sr1 Mn2 O6",
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"formula_anonymous": "AB2C6",
"energy": -65.8366879,
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{
"id": "mp-1071152",
"created_at": "2022-09-04T14:41:46.751848Z",
"structure_string": "Ca2 C4\n1.0\n2.112683 3.917830 0.000000\n-2.112683 3.917830 0.000000\n0.000000 1.951815 7.128392\nCa C\n2 4\ndirect\n0.693979 0.693979 0.720813 Ca\n0.306021 0.306021 0.279187 Ca\n0.427165 0.427165 0.571118 C\n0.572835 0.572835 0.428882 C\n0.031982 0.031982 0.574734 C\n0.968018 0.968018 0.425266 C\n",
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"volume": 118.00529500910476,
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"formula_full": "Ca2 C4",
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"updated_at": "2021-11-28T01:35:24.716000Z",
"spacegroup": 12
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{
"id": "mp-1227402",
"created_at": "2022-09-04T14:42:43.708240Z",
"structure_string": "Ca2 Ir1 Pt1 O6\n1.0\n1.603707 4.962362 0.000000\n-1.603707 4.962362 0.000000\n0.000000 0.028388 7.414161\nCa Ir Pt O\n2 1 1 6\ndirect\n0.749457 0.749457 0.253926 Ca\n0.250543 0.250543 0.746074 Ca\n0.000000 0.000000 0.500000 Ir\n0.000000 0.000000 0.000000 Pt\n0.370566 0.370566 0.044754 O\n0.629434 0.629434 0.955246 O\n0.375480 0.375480 0.449676 O\n0.624520 0.624520 0.550324 O\n0.081355 0.081355 0.253239 O\n0.918645 0.918645 0.746761 O\n",
"nsites": 10,
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"elements": [
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"Pt",
"O"
],
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"density_atomic": 0.0847411833651065,
"volume": 118.00637662699499,
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"formula_full": "Ca2 Ir1 Pt1 O6",
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"formula_anonymous": "ABC2D6",
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{
"id": "mp-1183531",
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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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"elements": [
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"formula_full": "Ca2 Tl1 In1",
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{
"id": "mp-1235446",
"created_at": "2022-09-04T14:42:24.150307Z",
"structure_string": "Cs1 Li1 Ac1 O3\n1.0\n4.923719 0.301948 0.300440\n0.303671 4.925101 0.302392\n0.299992 0.300226 4.920186\nCs Li Ac O\n1 1 1 3\ndirect\n0.059211 0.059142 0.059154 Cs\n0.747139 0.747096 0.747600 Li\n0.462508 0.462432 0.462543 Ac\n0.505919 0.506010 0.968806 O\n0.506439 0.968820 0.505952 O\n0.968780 0.506497 0.505942 O\n",
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"formula_full": "Cs1 Li1 Ac1 O3",
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{
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{
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"structure_string": "Ho2 S4\n1.0\n0.000000 3.893375 3.893375\n3.893375 0.000000 3.893375\n3.893375 3.893375 0.000000\nHo S\n2 4\ndirect\n0.750000 0.750000 0.750000 Ho\n0.500000 0.500000 0.500000 Ho\n0.125000 0.125000 0.625000 S\n0.125000 0.625000 0.125000 S\n0.125000 0.125000 0.125000 S\n0.625000 0.125000 0.125000 S\n",
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{
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"structure_string": "Ba1 Sr1\n1.0\n2.507813 -3.461988 0.000000\n2.507813 3.461988 0.000000\n0.000000 0.000000 6.797711\nBa Sr\n1 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Sr\n",
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]
}