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{
"id": "mp-1183577",
"created_at": "2022-09-04T14:42:21.020094Z",
"structure_string": "Ca1 Yb1 Zn2\n1.0\n0.000000 3.649516 3.649516\n3.649516 0.000000 3.649516\n3.649516 3.649516 0.000000\nCa Yb Zn\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Yb\n0.250000 0.250000 0.250000 Zn\n0.750000 0.750000 0.750000 Zn\n",
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{
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{
"id": "mp-1093882",
"created_at": "2022-09-04T14:42:02.853292Z",
"structure_string": "Ca1 Hg1 Au2\n1.0\n-5.658597 6.197454 8.752095\n5.658597 -6.197454 8.752095\n5.658597 6.197454 -8.752095\nCa Hg Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.500000 Hg\n0.000000 0.238104 0.238104 Au\n0.000000 0.761896 0.761896 Au\n",
"nsites": 4,
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"elements": [
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"density_atomic": 0.003258111178992402,
"volume": 1227.705188758179,
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"formula_full": "Ca1 Hg1 Au2",
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:33.938000Z",
"spacegroup": 71
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{
"id": "mp-1095863",
"created_at": "2022-09-04T14:39:15.734669Z",
"structure_string": "Mg1 In1 Cu2\n1.0\n-5.018380 5.098380 7.086176\n5.018380 -5.098380 7.086176\n5.018380 5.098380 -7.086176\nMg In Cu\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 In\n0.749564 0.000000 0.749564 Cu\n0.250436 0.000000 0.250436 Cu\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Cu-In-Mg",
"density": 0.6095564739979268,
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"volume": 725.2164917805835,
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"formula_full": "Mg1 In1 Cu2",
"formula_reduced": "MgInCu2",
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"updated_at": "2021-11-28T01:34:27.974000Z",
"spacegroup": 71
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{
"id": "mp-1093537",
"created_at": "2022-09-04T14:40:21.090102Z",
"structure_string": "Tl1 In2 Pb1\n1.0\n-5.740145 5.868730 8.893030\n5.740145 -5.868730 8.893030\n5.740145 5.868730 -8.893030\nTl In Pb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Tl\n0.000000 0.258940 0.258940 In\n0.000000 0.741060 0.741060 In\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
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"elements": [
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"volume": 1198.3308538749561,
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"formula_full": "Tl1 In2 Pb1",
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"updated_at": "2021-11-28T01:34:56.143000Z",
"spacegroup": 71
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{
"id": "mp-1094992",
"created_at": "2022-09-04T14:46:11.143904Z",
"structure_string": "Mg2 Ga2\n1.0\n2.234570 -3.870389 0.000000\n2.234570 3.870389 0.000000\n0.000000 0.000000 7.312629\nMg Ga\n2 2\ndirect\n0.666667 0.333333 0.625101 Mg\n0.333333 0.666667 0.125101 Mg\n0.666667 0.333333 0.999900 Ga\n0.333333 0.666667 0.499900 Ga\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Ga-Mg",
"density": 2.46879014497198,
"density_atomic": 0.031623349991619365,
"volume": 126.48881288857937,
"volume_molar": 19.043335894508182,
"formula_full": "Mg2 Ga2",
"formula_reduced": "MgGa",
"formula_anonymous": "AB",
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"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:23.316000Z",
"spacegroup": 186
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{
"id": "mp-23299",
"created_at": "2022-09-04T14:44:13.346996Z",
"structure_string": "Rb1 Cl1\n1.0\n3.996379 0.000000 0.000000\n0.000000 3.996379 0.000000\n0.000000 0.000000 3.996379\nRb Cl\n1 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Cl\n",
"nsites": 2,
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"elements": [
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"Cl"
],
"chemical_system": "Cl-Rb",
"density": 3.145937604001693,
"density_atomic": 0.03133502107168067,
"volume": 63.82634929221475,
"volume_molar": 19.21856298173218,
"formula_full": "Rb1 Cl1",
"formula_reduced": "RbCl",
"formula_anonymous": "AB",
"energy": -7.19618276,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:36:21.580000Z",
"spacegroup": 221
},
{
"id": "mp-1094901",
"created_at": "2022-09-04T14:48:26.000908Z",
"structure_string": "Mg2 Cd4\n1.0\n1.595293 5.831798 0.000000\n-1.595293 5.831798 0.000000\n0.000000 2.028446 7.101148\nMg Cd\n2 4\ndirect\n0.526938 0.526938 0.196431 Mg\n0.473062 0.473062 0.803569 Mg\n0.808782 0.808782 0.137167 Cd\n0.136946 0.136946 0.471645 Cd\n0.863054 0.863054 0.528355 Cd\n0.191218 0.191218 0.862833 Cd\n",
"nsites": 6,
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"elements": [
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],
"chemical_system": "Cd-Mg",
"density": 6.261788567772688,
"density_atomic": 0.04540981769641686,
"volume": 132.13001734806437,
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"formula_full": "Mg2 Cd4",
"formula_reduced": "MgCd2",
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"updated_at": "2021-11-28T01:39:11.328000Z",
"spacegroup": 12
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{
"id": "mp-1096092",
"created_at": "2022-09-04T14:40:06.148279Z",
"structure_string": "Li1 Y2 Hg1\n1.0\n-6.140635 6.307838 8.926279\n6.140635 -6.307838 8.926279\n6.140635 6.307838 -8.926279\nLi Y Hg\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.257492 0.257492 Y\n0.000000 0.742508 0.742508 Y\n0.000000 0.500000 0.500000 Hg\n",
"nsites": 4,
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"elements": [
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"density": 0.4626706712648712,
"density_atomic": 0.002892249323880915,
"volume": 1383.006633270699,
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"formula_full": "Li1 Y2 Hg1",
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"updated_at": "2021-11-28T01:34:46.983000Z",
"spacegroup": 71
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{
"id": "mp-1222610",
"created_at": "2022-09-04T14:48:07.439800Z",
"structure_string": "Li2 Mg1 Zn1\n1.0\n0.000000 3.277003 3.277003\n3.277003 0.000000 3.277003\n3.277003 3.277003 0.000000\nLi Mg Zn\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Li\n0.000000 0.000000 0.000000 Li\n0.750000 0.750000 0.750000 Mg\n0.500000 0.500000 0.500000 Zn\n",
"nsites": 4,
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"density": 2.4441709153279954,
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"volume": 70.38182316329898,
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"formula_full": "Li2 Mg1 Zn1",
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"updated_at": "2021-11-28T01:38:31.798000Z",
"spacegroup": 216
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{
"id": "mp-973535",
"created_at": "2022-09-04T14:39:18.161129Z",
"structure_string": "K3 Sc1\n1.0\n0.000000 4.767129 4.767129\n4.767129 0.000000 4.767129\n4.767129 4.767129 0.000000\nK Sc\n3 1\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Sc\n",
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"updated_at": "2021-11-28T01:34:25.331000Z",
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{
"id": "mp-962059",
"created_at": "2022-09-04T14:40:08.989173Z",
"structure_string": "Sr1 Mg1 Si1\n1.0\n0.000000 3.611193 3.611193\n3.611193 0.000000 3.611193\n3.611193 3.611193 0.000000\nSr Mg Si\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Sr\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Si\n",
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"density": 2.468468608511633,
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"volume": 94.18507660276921,
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"formula_full": "Sr1 Mg1 Si1",
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"updated_at": "2021-11-28T01:34:48.851000Z",
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]
}