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{
"id": "mp-1039148",
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{
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{
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"structure_string": "Sr1 Hg2\n1.0\n2.545483 -4.408907 0.000000\n2.545483 4.408907 0.000000\n0.000000 0.000000 4.043565\nSr Hg\n1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.666667 0.333333 0.500000 Hg\n0.333333 0.666667 0.500000 Hg\n",
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"volume": 90.76022491045028,
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"formula_full": "Sr1 Hg2",
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"updated_at": "2021-11-28T01:37:26.125000Z",
"spacegroup": 191
},
{
"id": "mp-1097657",
"created_at": "2022-09-04T14:48:10.615077Z",
"structure_string": "Sr2 Tl1 In1\n1.0\n-6.532210 7.338086 10.419376\n6.532210 -7.338086 10.419376\n6.532210 7.338086 -10.419376\nSr Tl In\n2 1 1\ndirect\n0.000000 0.248561 0.248561 Sr\n0.000000 0.751439 0.751439 Sr\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 In\n",
"nsites": 4,
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"formula_full": "Sr2 Tl1 In1",
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"updated_at": "2021-11-28T01:38:29.016000Z",
"spacegroup": 71
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{
"id": "mp-1097332",
"created_at": "2022-09-04T14:42:41.469779Z",
"structure_string": "Li2 Ca1 Tl1\n1.0\n-6.068685 6.347169 8.736742\n6.068685 -6.347169 8.736742\n6.068685 6.347169 -8.736742\nLi Ca Tl\n2 1 1\ndirect\n0.272300 0.000000 0.272300 Li\n0.727700 0.000000 0.727700 Li\n0.000000 0.000000 0.000000 Ca\n0.500000 0.000000 0.500000 Tl\n",
"nsites": 4,
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"elements": [
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"Tl"
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"formula_full": "Li2 Ca1 Tl1",
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{
"id": "mp-568610",
"created_at": "2022-09-04T14:43:08.370312Z",
"structure_string": "Bi1\n1.0\n-1.993848 1.993848 1.993848\n1.993848 -1.993848 1.993848\n1.993848 1.993848 -1.993848\nBi\n1\ndirect\n0.000000 0.000000 0.000000 Bi\n",
"nsites": 1,
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"is_theoretical": false,
"updated_at": "2021-11-28T01:36:16.241000Z",
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{
"id": "mp-1039147",
"created_at": "2022-09-04T14:43:04.418705Z",
"structure_string": "Ca1 Zn1\n1.0\n3.703485 0.000000 0.000000\n0.000000 3.703485 0.000000\n0.000000 0.000000 3.703485\nCa Zn\n1 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Zn\n",
"nsites": 2,
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"elements": [
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"Zn"
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"chemical_system": "Ca-Zn",
"density": 3.4483891412408307,
"density_atomic": 0.03937297451057348,
"volume": 50.796263804323615,
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"formula_full": "Ca1 Zn1",
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"energy_above_hull": null,
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"energy_uncorrected": -3.74878352,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:58.722000Z",
"spacegroup": 221
},
{
"id": "mp-1093776",
"created_at": "2022-09-04T14:46:23.513270Z",
"structure_string": "Mg2 Zn1 Cu1\n1.0\n-5.355569 5.477214 7.735315\n5.355569 -5.477214 7.735315\n5.355569 5.477214 -7.735315\nMg Zn Cu\n2 1 1\ndirect\n0.000000 0.237343 0.237343 Mg\n0.000000 0.762657 0.762657 Mg\n0.000000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Cu\n",
"nsites": 4,
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"elements": [
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"Cu"
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"density": 0.3248651609008015,
"density_atomic": 0.004407138180701736,
"volume": 907.618467130316,
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"formula_full": "Mg2 Zn1 Cu1",
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"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:37:32.858000Z",
"spacegroup": 71
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{
"id": "mp-1095810",
"created_at": "2022-09-04T14:43:12.120054Z",
"structure_string": "Sr2 Mg1 Pb1\n1.0\n-6.883809 6.911254 9.809423\n6.883809 -6.911254 9.809423\n6.883809 6.911254 -9.809423\nSr Mg Pb\n2 1 1\ndirect\n0.000000 0.267935 0.267935 Sr\n0.000000 0.732065 0.732065 Sr\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
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"elements": [
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"Mg",
"Pb"
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"volume": 1866.7627227329717,
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"formula_full": "Sr2 Mg1 Pb1",
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{
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"created_at": "2022-09-04T14:40:10.626770Z",
"structure_string": "Zn3\n1.0\n7.455517 -1.327022 0.000000\n7.455517 1.327022 0.000000\n7.219318 0.000000 2.286301\nZn\n3\ndirect\n0.000000 0.000000 0.000000 Zn\n0.221996 0.221996 0.221996 Zn\n0.778004 0.778004 0.778004 Zn\n",
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"formula_full": "Zn3",
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"updated_at": "2021-11-28T01:34:48.328000Z",
"spacegroup": 166
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{
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"structure_string": "Al1\n1.0\n0.000000 2.019465 2.019465\n2.019465 0.000000 2.019465\n2.019465 2.019465 0.000000\nAl\n1\ndirect\n0.000000 0.000000 0.000000 Al\n",
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{
"id": "mp-1093559",
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"structure_string": "Li2 In1 Hg1\n1.0\n-5.610206 5.684734 7.925770\n5.610206 -5.684734 7.925770\n5.610206 5.684734 -7.925770\nLi In Hg\n2 1 1\ndirect\n0.250234 0.000000 0.250234 Li\n0.749766 0.000000 0.749766 Li\n0.000000 0.000000 0.000000 In\n0.500000 0.000000 0.500000 Hg\n",
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"density": 0.5408006770476812,
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"volume": 1011.0913917966559,
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"formula_full": "Li2 In1 Hg1",
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}