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{
"id": "mp-2502",
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"structure_string": "Tm1 Cd1\n1.0\n3.703012 0.000000 0.000000\n0.000000 3.703012 0.000000\n0.000000 0.000000 3.703012\nTm Cd\n1 1\ndirect\n0.500000 0.500000 0.500000 Tm\n0.000000 0.000000 0.000000 Cd\n",
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{
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"structure_string": "Cs1 Ba3\n1.0\n6.604371 0.000000 0.000000\n0.000000 6.604371 0.000000\n0.000000 0.000000 6.604371\nCs Ba\n1 3\ndirect\n0.000000 0.000000 0.000000 Cs\n0.000000 0.500000 0.500000 Ba\n0.500000 0.000000 0.500000 Ba\n0.500000 0.500000 0.000000 Ba\n",
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{
"id": "mp-31474",
"created_at": "2022-09-04T14:47:33.853337Z",
"structure_string": "Rb2 Hg7\n1.0\n3.619518 -6.269189 0.000000\n3.619518 6.269189 0.000000\n0.000000 0.000000 6.798696\nRb Hg\n2 7\ndirect\n0.333333 0.666667 0.847781 Rb\n0.666667 0.333333 0.152219 Rb\n0.179952 0.359903 0.337152 Hg\n0.640097 0.820048 0.337152 Hg\n0.179952 0.820048 0.337152 Hg\n0.820048 0.640097 0.662848 Hg\n0.820048 0.179952 0.662848 Hg\n0.359903 0.179952 0.662848 Hg\n0.000000 0.000000 0.000000 Hg\n",
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"density": 8.47676263454847,
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"volume": 308.54443777840737,
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"formula_full": "Rb2 Hg7",
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"updated_at": "2021-11-28T01:38:11.199000Z",
"spacegroup": 164
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{
"id": "mp-1183954",
"created_at": "2022-09-04T14:42:10.192548Z",
"structure_string": "Cs1 Ba3\n1.0\n-3.246471 3.246471 6.803383\n3.246471 -3.246471 6.803383\n3.246471 3.246471 -6.803383\nCs Ba\n1 3\ndirect\n0.000000 0.000000 0.000000 Cs\n0.750000 0.250000 0.500000 Ba\n0.250000 0.750000 0.500000 Ba\n0.500000 0.500000 0.000000 Ba\n",
"nsites": 4,
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"density": 3.1546206351452257,
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"volume": 286.8190330592186,
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"formula_full": "Cs1 Ba3",
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"updated_at": "2021-11-28T01:35:39.132000Z",
"spacegroup": 139
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{
"id": "mp-1221252",
"created_at": "2022-09-04T14:42:11.477693Z",
"structure_string": "Na2 Tl1 Hg1\n1.0\n0.000000 3.786500 3.786500\n3.786500 0.000000 3.786500\n3.786500 3.786500 0.000000\nNa Tl Hg\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Tl\n0.250000 0.250000 0.250000 Hg\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Hg-Na-Tl",
"density": 6.896620731003762,
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"volume": 108.57851037925002,
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"formula_full": "Na2 Tl1 Hg1",
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"updated_at": "2021-11-28T01:35:39.861000Z",
"spacegroup": 216
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{
"id": "mp-11469",
"created_at": "2022-09-04T14:40:34.811162Z",
"structure_string": "Pr1 Hg1\n1.0\n3.870156 0.000000 0.000000\n0.000000 3.870156 0.000000\n0.000000 0.000000 3.870156\nPr Hg\n1 1\ndirect\n0.500000 0.500000 0.500000 Pr\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 2,
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"elements": [
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"density": 9.782534846566286,
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"volume": 57.96761247174476,
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"formula_full": "Pr1 Hg1",
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"updated_at": "2021-11-28T01:35:02.603000Z",
"spacegroup": 221
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{
"id": "mp-974768",
"created_at": "2022-09-04T14:46:24.816906Z",
"structure_string": "Rb4 Mg2\n1.0\n4.053241 -8.919046 0.000000\n4.053241 8.919046 0.000000\n0.000000 0.000000 5.617959\nRb Mg\n4 2\ndirect\n0.591996 0.868070 0.250000 Rb\n0.131930 0.408004 0.750000 Rb\n0.408004 0.131930 0.750000 Rb\n0.868070 0.591996 0.250000 Rb\n0.908593 0.908593 0.750000 Mg\n0.091407 0.091407 0.250000 Mg\n",
"nsites": 6,
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"elements": [
"Rb",
"Mg"
],
"chemical_system": "Mg-Rb",
"density": 1.5963195588575336,
"density_atomic": 0.014771406794544745,
"volume": 406.19015395445416,
"volume_molar": 40.76890470732989,
"formula_full": "Rb4 Mg2",
"formula_reduced": "Rb2Mg",
"formula_anonymous": "AB2",
"energy": -6.03363238,
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"updated_at": "2021-11-28T01:37:31.018000Z",
"spacegroup": 63
},
{
"id": "mp-1187925",
"created_at": "2022-09-04T14:45:56.651174Z",
"structure_string": "Yb3 Cd1\n1.0\n5.097440 0.000000 0.000000\n0.000000 5.097440 0.000000\n0.000000 0.000000 5.097440\nYb Cd\n3 1\ndirect\n0.000000 0.500000 0.500000 Yb\n0.500000 0.000000 0.500000 Yb\n0.500000 0.500000 0.000000 Yb\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Cd-Yb",
"density": 7.917487810447836,
"density_atomic": 0.030199769180976603,
"volume": 132.45134345330277,
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"formula_full": "Yb3 Cd1",
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"updated_at": "2021-11-28T01:37:08.046000Z",
"spacegroup": 221
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{
"id": "mp-1226953",
"created_at": "2022-09-04T14:47:57.274512Z",
"structure_string": "Cd3 Au1\n1.0\n1.534965 -2.827078 0.000000\n1.534965 2.827078 0.000000\n0.000000 0.000000 9.960507\nCd Au\n3 1\ndirect\n0.500000 0.500000 0.759215 Cd\n0.000000 0.000000 0.500000 Cd\n0.500000 0.500000 0.240785 Cd\n0.000000 0.000000 0.000000 Au\n",
"nsites": 4,
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"elements": [
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"density": 10.261359943527848,
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"volume": 86.44655860112162,
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"formula_full": "Cd3 Au1",
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"spacegroup": 65
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{
"id": "mp-1095806",
"created_at": "2022-09-04T14:45:06.921529Z",
"structure_string": "Li1 In2 Ag1\n1.0\n-5.601968 5.762963 8.245435\n5.601968 -5.762963 8.245435\n5.601968 5.762963 -8.245435\nLi In Ag\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.255771 0.255771 In\n0.000000 0.744229 0.744229 In\n0.000000 0.500000 0.500000 Ag\n",
"nsites": 4,
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"volume": 1064.78032762855,
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"formula_full": "Li1 In2 Ag1",
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"spacegroup": 71
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{
"id": "mp-1009080",
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"structure_string": "Ho1 Cd2\n1.0\n2.714855 -4.702267 0.000000\n2.714855 4.702267 0.000000\n0.000000 0.000000 3.244331\nHo Cd\n1 2\ndirect\n0.000000 0.000000 0.000000 Ho\n0.666667 0.333333 0.951257 Cd\n0.333333 0.666667 0.048743 Cd\n",
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{
"id": "mp-1183580",
"created_at": "2022-09-04T14:42:14.299527Z",
"structure_string": "Cd3 B1\n1.0\n-2.051151 2.051151 4.429693\n2.051151 -2.051151 4.429693\n2.051151 2.051151 -4.429693\nCd B\n3 1\ndirect\n0.750000 0.250000 0.500000 Cd\n0.250000 0.750000 0.500000 Cd\n0.500000 0.500000 0.000000 Cd\n0.000000 0.000000 0.000000 B\n",
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]
}