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{
"id": "mp-1095876",
"created_at": "2022-09-04T14:39:58.024201Z",
"structure_string": "Ca1 Mg1 Zn2\n1.0\n-6.274859 6.395490 8.846320\n6.274859 -6.395490 8.846320\n6.274859 6.395490 -8.846320\nCa Mg Zn\n1 1 2\ndirect\n0.500000 0.000000 0.500000 Ca\n0.000000 0.000000 0.000000 Mg\n0.237021 0.000000 0.237021 Zn\n0.762979 0.000000 0.762979 Zn\n",
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{
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{
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"nsites": 8,
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"elements": [
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"volume": 7579.834846553557,
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"formula_full": "Eu4 Ag4",
"formula_reduced": "EuAg",
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:34:25.145000Z",
"spacegroup": 1
},
{
"id": "mp-1227541",
"created_at": "2022-09-04T14:47:28.967368Z",
"structure_string": "Ca1\n1.0\n3.629484 0.000000 -0.060509\n0.000000 3.625656 0.000000\n-0.007781 0.000000 22.217814\nCa\n1\ndirect\n0.000000 0.500000 0.250000 Ca\n",
"nsites": 1,
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"elements": [
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"volume": 292.3682938336179,
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"formula_full": "Ca1",
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"energy": -1.03268839,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:09.019000Z",
"spacegroup": 123
},
{
"id": "mp-1097457",
"created_at": "2022-09-04T14:44:26.932198Z",
"structure_string": "Sr2 Li1 Al1\n1.0\n-6.373902 6.682265 9.005028\n6.373902 -6.682265 9.005028\n6.373902 6.682265 -9.005028\nSr Li Al\n2 1 1\ndirect\n0.269793 0.000000 0.269793 Sr\n0.730207 0.000000 0.730207 Sr\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Al\n",
"nsites": 4,
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"elements": [
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"density": 0.2263908481033897,
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"volume": 1534.1722932894922,
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"formula_full": "Sr2 Li1 Al1",
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:35.277000Z",
"spacegroup": 71
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{
"id": "mp-1206888",
"created_at": "2022-09-04T14:39:12.009415Z",
"structure_string": "Dy1 I6\n1.0\n-7.118960 -12.330400 0.000000\n-4.040012 10.552769 0.000000\n0.000000 0.000000 -54.684980\nDy I\n1 6\ndirect\n-0.000000 0.000000 -0.000000 Dy\n0.000000 -0.000000 0.750021 I\n-0.000000 0.000000 0.249979 I\n0.740146 0.761506 -0.000000 I\n0.259854 0.238494 0.000000 I\n0.978640 0.238494 -0.000000 I\n0.021360 0.761506 0.000000 I\n",
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"elements": [
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"I"
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"chemical_system": "Dy-I",
"density": 0.22455262690995312,
"density_atomic": 0.001024541391084173,
"volume": 6832.325234408126,
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"formula_full": "Dy1 I6",
"formula_reduced": "DyI6",
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"energy_uncorrected": -14.390026430000002,
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"updated_at": "2021-11-28T01:34:40.642000Z",
"spacegroup": 65
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{
"id": "mp-1096746",
"created_at": "2022-09-04T14:43:41.609278Z",
"structure_string": "Li2 Sc1 Tl1\n1.0\n-6.561858 7.275677 10.214323\n6.561858 -7.275677 10.214323\n6.561858 7.275677 -10.214323\nLi Sc Tl\n2 1 1\ndirect\n0.000000 0.258233 0.258233 Li\n0.000000 0.741767 0.741767 Li\n0.000000 0.000000 0.000000 Sc\n0.000000 0.500000 0.500000 Tl\n",
"nsites": 4,
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"elements": [
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"Sc",
"Tl"
],
"chemical_system": "Li-Sc-Tl",
"density": 0.22407848784415435,
"density_atomic": 0.002050643540919159,
"volume": 1950.6071729107448,
"volume_molar": 293.67077406835415,
"formula_full": "Li2 Sc1 Tl1",
"formula_reduced": "Li2ScTl",
"formula_anonymous": "ABC2",
"energy": -5.93120139,
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"updated_at": "2021-11-28T01:36:13.798000Z",
"spacegroup": 71
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{
"id": "mp-1093539",
"created_at": "2022-09-04T14:39:39.871500Z",
"structure_string": "Ca2 Al1 Zn1\n1.0\n-6.090680 6.122124 8.590928\n6.090680 -6.122124 8.590928\n6.090680 6.122124 -8.590928\nCa Al Zn\n2 1 1\ndirect\n0.240109 0.000000 0.240109 Ca\n0.759891 0.000000 0.759891 Ca\n0.000000 0.000000 0.000000 Al\n0.500000 0.000000 0.500000 Zn\n",
"nsites": 4,
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"elements": [
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"density": 0.22360801897211968,
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"volume": 1281.3505949785697,
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"formula_full": "Ca2 Al1 Zn1",
"formula_reduced": "Ca2AlZn",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:34:27.402000Z",
"spacegroup": 71
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{
"id": "mp-1093855",
"created_at": "2022-09-04T14:47:26.227906Z",
"structure_string": "Ca2 Mg1 Cd1\n1.0\n-6.474925 6.793823 9.155077\n6.474925 -6.793823 9.155077\n6.474925 6.793823 -9.155077\nCa Mg Cd\n2 1 1\ndirect\n0.250538 0.000000 0.250538 Ca\n0.749462 0.000000 0.749462 Ca\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Cd\n",
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"volume": 1610.9088332629021,
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{
"id": "mp-995393",
"created_at": "2022-09-04T14:40:02.733335Z",
"structure_string": "Li2 S8\n1.0\n12.210871 0.000000 0.000000\n0.390307 12.842929 0.000000\n0.514386 1.313073 12.852301\nLi S\n2 8\ndirect\n0.648160 0.318061 0.530700 Li\n0.519788 0.481913 0.465939 Li\n0.465987 0.296680 0.489061 S\n0.425606 0.358886 0.627553 S\n0.292396 0.458894 0.603342 S\n0.340886 0.588990 0.503861 S\n0.419493 0.689643 0.592853 S\n0.583727 0.698744 0.544551 S\n0.675482 0.573155 0.607734 S\n0.715077 0.485033 0.484408 S\n",
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"volume": 2015.540888789589,
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"formula_full": "Li2 S8",
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{
"id": "mp-1207340",
"created_at": "2022-09-04T14:42:53.952853Z",
"structure_string": "Dy2 Cu1 Sb3\n1.0\n11.433915 0.000000 0.000000\n0.000000 11.433915 0.000000\n0.000000 0.000000 43.275381\nDy Cu Sb\n2 1 3\ndirect\n0.500000 0.500000 0.245474 Dy\n0.500000 0.500000 0.754526 Dy\n0.500000 0.500000 0.500000 Cu\n0.500000 0.500000 0.693335 Sb\n0.500000 0.500000 0.306665 Sb\n0.500000 0.500000 0.000000 Sb\n",
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"volume": 5657.5814989442215,
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"formula_full": "Dy2 Cu1 Sb3",
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"formula_anonymous": "AB2C3",
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{
"id": "mp-1206305",
"created_at": "2022-09-04T14:43:02.086178Z",
"structure_string": "Zn1 Br6\n1.0\n5.360610 -8.077178 0.000000\n5.360610 8.077178 0.000000\n0.000000 0.000000 47.410312\nZn Br\n1 6\ndirect\n0.000000 0.000000 0.000000 Zn\n0.000000 0.000000 0.249992 Br\n0.000000 0.000000 0.750008 Br\n0.257582 0.013876 0.000000 Br\n0.742418 0.986124 0.000000 Br\n0.013876 0.257582 0.000000 Br\n0.986124 0.742418 0.000000 Br\n",
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"volume": 4105.600380183679,
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"formula_full": "Zn1 Br6",
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"formula_anonymous": "AB6",
"energy": -12.22040737,
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"updated_at": "2021-11-28T01:36:01.932000Z",
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}
]
}