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{
"id": "jvasp-118695",
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"updated_at": "2022-09-04T14:38:46.604049Z",
"structure_string": "Mg1 Ru1 O1\n1.0\n2.724034 0.000000 -0.000000\n0.000000 2.724034 -0.000000\n0.000000 -0.000000 6.399195\nMg Ru O\n1 1 1\ndirect\n0.000000 0.000000 0.295924 Mg\n0.000000 0.000000 0.720461 Ru\n0.000000 0.000000 0.002170 O\n",
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{
"id": "jvasp-118694",
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"structure_string": "Mg1 Rh1 O1\n1.0\n4.115498 -0.000000 0.000000\n-2.057749 3.564126 0.000000\n0.000000 0.000000 2.856492\nMg Rh O\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.666666 0.333333 0.000000 Rh\n0.333332 0.666667 0.000000 O\n",
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{
"id": "jvasp-118693",
"created_at": "2022-09-04T14:38:52.624349Z",
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"structure_string": "Mg1 Cl1\n1.0\n3.849429 0.000000 0.000000\n0.000000 3.849429 0.000000\n-0.000000 0.000000 3.402710\nMg Cl\n1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Cl\n",
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"spacegroup": 123
},
{
"id": "jvasp-118692",
"created_at": "2022-09-04T14:38:52.623139Z",
"updated_at": "2022-09-04T14:38:52.623166Z",
"structure_string": "Mg1 Cl2\n1.0\n3.925248 -0.508930 0.211705\n2.812722 -4.297548 -0.034902\n-0.844322 -3.577677 -4.648221\nMg Cl\n1 2\ndirect\n0.015099 0.147511 0.877936 Mg\n0.806581 0.751108 0.878263 Cl\n0.216266 0.796277 0.378173 Cl\n",
"nsites": 3,
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"elements": [
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"formula_full": "Mg1 Cl2",
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"formula_anonymous": "AB2",
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"spacegroup": 38
},
{
"id": "jvasp-118691",
"created_at": "2022-09-04T14:38:52.821330Z",
"updated_at": "2022-09-04T14:38:52.821366Z",
"structure_string": "Mg1 Cl2\n1.0\n6.570375 0.000000 0.000000\n0.000000 3.453850 0.000000\n0.000000 0.000000 3.829263\nMg Cl\n1 2\ndirect\n0.000000 0.450669 0.000000 Mg\n0.248122 -0.049335 0.000000 Cl\n0.751877 -0.049335 0.000000 Cl\n",
"nsites": 3,
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"volume": 86.8978087199582,
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"formula_full": "Mg1 Cl2",
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"energy_above_hull": 0.1265666666666666,
"spacegroup": 47
},
{
"id": "jvasp-118690",
"created_at": "2022-09-04T14:38:52.813969Z",
"updated_at": "2022-09-04T14:38:52.813995Z",
"structure_string": "Mg2 Cl2\n1.0\n3.265189 0.000000 0.000000\n0.000000 3.265189 0.000000\n-0.000000 0.000000 8.036400\nMg Cl\n2 2\ndirect\n0.000000 0.000000 0.844736 Mg\n0.500000 0.500000 0.155264 Mg\n0.000000 0.000000 0.322086 Cl\n0.500000 0.500000 0.677914 Cl\n",
"nsites": 4,
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"elements": [
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"volume": 85.67975076085625,
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"formula_full": "Mg2 Cl2",
"formula_reduced": "MgCl",
"formula_anonymous": "AB",
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"spacegroup": 129
},
{
"id": "jvasp-118689",
"created_at": "2022-09-04T14:38:53.450662Z",
"updated_at": "2022-09-04T14:38:53.450688Z",
"structure_string": "Mg1 Cl2\n1.0\n3.516042 0.000000 -0.424753\n0.000000 3.872213 0.000000\n-0.664852 0.000000 5.783081\nMg Cl\n1 2\ndirect\n0.466680 0.000000 0.133340 Mg\n-0.159685 0.000000 -0.142600 Cl\n0.093006 0.000000 0.409259 Cl\n",
"nsites": 3,
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"spacegroup": 10
},
{
"id": "jvasp-118687",
"created_at": "2022-09-04T14:38:46.390931Z",
"updated_at": "2022-09-04T14:38:46.390957Z",
"structure_string": "Mg2 Cl1\n1.0\n5.268076 -0.000000 -0.000000\n-2.634038 4.562288 0.000000\n-0.000000 0.000000 3.201274\nMg Cl\n2 1\ndirect\n0.333334 0.666667 0.000000 Mg\n0.666667 0.333334 0.000000 Mg\n0.000000 0.000000 0.000000 Cl\n",
"nsites": 3,
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"spacegroup": 191
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{
"id": "jvasp-118686",
"created_at": "2022-09-04T14:38:53.435980Z",
"updated_at": "2022-09-04T14:38:53.436006Z",
"structure_string": "Mg2 Cl1\n1.0\n3.334323 0.000000 0.000000\n0.000000 3.349352 0.000000\n0.000000 0.000000 7.164038\nMg Cl\n2 1\ndirect\n-0.033309 0.000000 0.705996 Mg\n-0.033309 0.000000 0.294004 Mg\n0.466618 0.000000 0.000000 Cl\n",
"nsites": 3,
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"elements": [
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"formula_full": "Mg2 Cl1",
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"spacegroup": 47
},
{
"id": "jvasp-118682",
"created_at": "2022-09-04T14:38:53.846038Z",
"updated_at": "2022-09-04T14:38:53.846073Z",
"structure_string": "Mg1 Cl1\n1.0\n4.508177 0.000000 -0.000000\n-2.254089 3.904196 0.000000\n0.000000 0.000000 3.472529\nMg Cl\n1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.333333 0.666667 0.000000 Cl\n",
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"elements": [
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"spacegroup": 187
},
{
"id": "jvasp-118681",
"created_at": "2022-09-04T14:38:51.306497Z",
"updated_at": "2022-09-04T14:38:51.306517Z",
"structure_string": "Mg2 Cl2\n1.0\n3.392004 -0.565161 -0.415341\n-0.717355 -5.204728 1.221021\n-0.391445 1.589576 -5.364815\nMg Cl\n2 2\ndirect\n0.196184 0.891351 0.009377 Mg\n0.696037 0.639005 0.505954 Mg\n0.196092 0.446004 0.119189 Cl\n0.696088 0.084438 0.396033 Cl\n",
"nsites": 4,
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"spacegroup": 63
},
{
"id": "jvasp-118680",
"created_at": "2022-09-04T14:38:46.295405Z",
"updated_at": "2022-09-04T14:38:46.295420Z",
"structure_string": "Mg2 Cd1\n1.0\n5.081907 0.000000 1.347486\n0.000000 3.210023 0.000000\n1.542786 0.000000 4.997398\nMg Cd\n2 1\ndirect\n0.133063 0.000000 -0.201190 Mg\n-0.199706 0.000000 0.467859 Mg\n0.466643 0.000000 0.133331 Cd\n",
"nsites": 3,
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}