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{
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"results": [
{
"id": "mp-10393",
"created_at": "2022-09-04T14:46:18.263830Z",
"structure_string": "Sm2 Ga2 Sb4\n1.0\n2.167716 -11.224757 0.000000\n2.167716 11.224757 0.000000\n0.000000 0.000000 4.372711\nSm Ga Sb\n2 2 4\ndirect\n0.862724 0.137276 0.250000 Sm\n0.137276 0.862724 0.750000 Sm\n0.158370 0.158370 0.000000 Ga\n0.841630 0.841630 0.500000 Ga\n0.249778 0.750222 0.250000 Sb\n0.750222 0.249778 0.750000 Sb\n0.407677 0.592323 0.750000 Sb\n0.592323 0.407677 0.250000 Sb\n",
"nsites": 8,
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"elements": [
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"Ga",
"Sb"
],
"chemical_system": "Ga-Sb-Sm",
"density": 7.235444706852431,
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"volume": 212.79435448214554,
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},
{
"id": "mp-1039293",
"created_at": "2022-09-04T14:44:57.359612Z",
"structure_string": "Mg3 Cd1\n1.0\n-2.288927 2.288927 4.224501\n2.288927 -2.288927 4.224501\n2.288927 2.288927 -4.224501\nMg Cd\n3 1\ndirect\n0.500000 0.500000 0.000000 Mg\n0.250000 0.750000 0.500000 Mg\n0.750000 0.250000 0.500000 Mg\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Cd-Mg",
"density": 3.476051137764631,
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"volume": 88.5317996945847,
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"formula_full": "Mg3 Cd1",
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:46.555000Z",
"spacegroup": 139
},
{
"id": "mp-1039292",
"created_at": "2022-09-04T14:45:04.673802Z",
"structure_string": "Ca6 Zn2\n1.0\n3.610268 -6.253167 0.000000\n3.610268 6.253167 0.000000\n0.000000 0.000000 5.682863\nCa Zn\n6 2\ndirect\n0.653806 0.826903 0.750000 Ca\n0.173097 0.346194 0.750000 Ca\n0.173097 0.826903 0.750000 Ca\n0.826903 0.653806 0.250000 Ca\n0.826903 0.173097 0.250000 Ca\n0.346194 0.173097 0.250000 Ca\n0.666667 0.333333 0.750000 Zn\n0.333333 0.666667 0.250000 Zn\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ca",
"Zn"
],
"chemical_system": "Ca-Zn",
"density": 2.4028187920418844,
"density_atomic": 0.031178364907806826,
"volume": 256.5881829805918,
"volume_molar": 19.315126940772004,
"formula_full": "Ca6 Zn2",
"formula_reduced": "Ca3Zn",
"formula_anonymous": "AB3",
"energy": -14.59110296,
"energy_per_atom": -1.82388787,
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"is_stable": null,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:36:50.448000Z",
"spacegroup": 194
},
{
"id": "mp-1039288",
"created_at": "2022-09-04T14:43:57.482123Z",
"structure_string": "Ce4 Mg2\n1.0\n2.884554 -4.996193 0.000000\n2.884554 4.996193 0.000000\n0.000000 0.000000 5.639219\nCe Mg\n4 2\ndirect\n0.000000 0.666494 0.000000 Ce\n0.666494 0.000000 0.000000 Ce\n0.333506 0.333506 0.000000 Ce\n0.000000 0.000000 0.500000 Ce\n0.666667 0.333333 0.500000 Mg\n0.333333 0.666667 0.500000 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ce",
"Mg"
],
"chemical_system": "Ce-Mg",
"density": 6.222319707511363,
"density_atomic": 0.03691343102346007,
"volume": 162.54246309931858,
"volume_molar": 16.314226537686704,
"formula_full": "Ce4 Mg2",
"formula_reduced": "Ce2Mg",
"formula_anonymous": "AB2",
"energy": -26.311437660000003,
"energy_per_atom": -4.38523961,
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"updated_at": "2021-11-28T01:36:24.361000Z",
"spacegroup": 189
},
{
"id": "mp-1039275",
"created_at": "2022-09-04T14:45:00.119908Z",
"structure_string": "Ca1 Zn1\n1.0\n3.013921 -2.449982 0.000000\n3.013921 2.449982 0.000000\n1.022358 0.000000 3.747121\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"
],
"chemical_system": "Ca-Zn",
"density": 3.165377913303534,
"density_atomic": 0.036141612443422406,
"volume": 55.337874123100725,
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"formula_full": "Ca1 Zn1",
"formula_reduced": "CaZn",
"formula_anonymous": "AB",
"energy": -3.4821986,
"energy_per_atom": -1.7410993,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -3.4821986,
"band_gap": 0.0,
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"total_magnetization": 0.0022428,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:48.201000Z",
"spacegroup": 166
},
{
"id": "mp-1039273",
"created_at": "2022-09-04T14:47:31.780084Z",
"structure_string": "Ca1 Mg5\n1.0\n2.853043 -4.941616 0.000000\n2.853043 4.941616 0.000000\n0.000000 0.000000 5.398895\nCa Mg\n1 5\ndirect\n0.000000 0.000000 0.500000 Ca\n0.000000 0.641785 0.000000 Mg\n0.641785 0.000000 0.000000 Mg\n0.358215 0.358215 0.000000 Mg\n0.666667 0.333333 0.500000 Mg\n0.333333 0.666667 0.500000 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ca",
"Mg"
],
"chemical_system": "Ca-Mg",
"density": 1.762732158375463,
"density_atomic": 0.03941296083705419,
"volume": 152.23418572397856,
"volume_molar": 15.279594915229689,
"formula_full": "Ca1 Mg5",
"formula_reduced": "CaMg5",
"formula_anonymous": "AB5",
"energy": -10.14196833,
"energy_per_atom": -1.690328055,
"energy_above_hull": null,
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"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.0066427,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:11.058000Z",
"spacegroup": 189
},
{
"id": "mp-1039270",
"created_at": "2022-09-04T14:39:59.484669Z",
"structure_string": "Ce1 Mg1\n1.0\n0.000000 3.207483 3.207483\n3.207483 0.000000 3.207483\n3.207483 3.207483 0.000000\nCe Mg\n1 1\ndirect\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 Mg\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ce",
"Mg"
],
"chemical_system": "Ce-Mg",
"density": 4.136978818499538,
"density_atomic": 0.030304485162786107,
"volume": 65.99683146757428,
"volume_molar": 19.872110440586486,
"formula_full": "Ce1 Mg1",
"formula_reduced": "CeMg",
"formula_anonymous": "AB",
"energy": -6.24786899,
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"energy_above_hull": null,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:54.553000Z",
"spacegroup": 225
},
{
"id": "mp-1039269",
"created_at": "2022-09-04T14:43:52.799950Z",
"structure_string": "Ce4 Mg2\n1.0\n1.561349 -2.704336 0.000000\n1.561349 2.704336 0.000000\n0.000000 0.000000 18.240091\nCe Mg\n4 2\ndirect\n0.333333 0.666667 0.914299 Ce\n0.333333 0.666667 0.585701 Ce\n0.666667 0.333333 0.414299 Ce\n0.666667 0.333333 0.085701 Ce\n0.666667 0.333333 0.750000 Mg\n0.333333 0.666667 0.250000 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ce",
"Mg"
],
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"density": 6.566009745717829,
"density_atomic": 0.03895234562687875,
"volume": 154.03436952099102,
"volume_molar": 15.460277585554362,
"formula_full": "Ce4 Mg2",
"formula_reduced": "Ce2Mg",
"formula_anonymous": "AB2",
"energy": -26.51016567,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:36:23.735000Z",
"spacegroup": 194
},
{
"id": "mp-1039263",
"created_at": "2022-09-04T14:45:08.825004Z",
"structure_string": "Mg2 Bi4\n1.0\n1.695184 6.538130 0.000000\n-1.695184 6.538130 0.000000\n0.000000 2.303956 7.982272\nMg Bi\n2 4\ndirect\n0.642063 0.642063 0.481593 Mg\n0.357937 0.357937 0.518407 Mg\n0.286980 0.286980 0.188058 Bi\n0.027423 0.027423 0.234297 Bi\n0.972577 0.972577 0.765703 Bi\n0.713020 0.713020 0.811942 Bi\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Bi"
],
"chemical_system": "Bi-Mg",
"density": 8.301097900939348,
"density_atomic": 0.033909730329095916,
"volume": 176.94036318689794,
"volume_molar": 17.75932955395036,
"formula_full": "Mg2 Bi4",
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"energy": -18.74478847,
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"updated_at": "2021-11-28T01:36:48.680000Z",
"spacegroup": 12
},
{
"id": "mp-1039262",
"created_at": "2022-09-04T14:44:26.941572Z",
"structure_string": "Ca2 Zn6\n1.0\n3.196580 -5.536640 0.000000\n3.196580 5.536640 0.000000\n0.000000 0.000000 4.604187\nCa Zn\n2 6\ndirect\n0.666667 0.333333 0.250000 Ca\n0.333333 0.666667 0.750000 Ca\n0.143817 0.287635 0.250000 Zn\n0.712365 0.856183 0.250000 Zn\n0.143817 0.856183 0.250000 Zn\n0.287635 0.143817 0.750000 Zn\n0.856183 0.143817 0.750000 Zn\n0.856183 0.712365 0.750000 Zn\n",
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"total_magnetization": 9.2e-05,
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"updated_at": "2021-11-28T01:36:36.708000Z",
"spacegroup": 194
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{
"id": "mp-1039259",
"created_at": "2022-09-04T14:47:46.582749Z",
"structure_string": "Ce8 Mg4\n1.0\n3.239146 0.000000 0.000000\n0.000000 17.740525 0.000000\n0.000000 0.000000 5.664767\nCe Mg\n8 4\ndirect\n0.000000 0.565455 0.250000 Ce\n0.500000 0.722615 0.250000 Ce\n0.000000 0.777385 0.750000 Ce\n0.500000 0.934545 0.750000 Ce\n0.500000 0.065455 0.250000 Ce\n0.000000 0.222615 0.250000 Ce\n0.500000 0.277385 0.750000 Ce\n0.000000 0.434545 0.750000 Ce\n0.000000 0.887437 0.250000 Mg\n0.500000 0.612563 0.750000 Mg\n0.500000 0.387437 0.250000 Mg\n0.000000 0.112563 0.750000 Mg\n",
"nsites": 12,
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"density": 6.213983718553039,
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"volume": 325.52102395460946,
"volume_molar": 16.33611188828325,
"formula_full": "Ce8 Mg4",
"formula_reduced": "Ce2Mg",
"formula_anonymous": "AB2",
"energy": -52.92043629,
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"updated_at": "2021-11-28T01:38:20.491000Z",
"spacegroup": 63
},
{
"id": "mp-1039255",
"created_at": "2022-09-04T14:47:18.932203Z",
"structure_string": "Mg4 Cd2\n1.0\n1.613292 -8.089837 0.000000\n1.613292 8.089837 0.000000\n0.000000 0.000000 5.153413\nMg Cd\n4 2\ndirect\n0.612692 0.387308 0.250000 Mg\n0.943571 0.056429 0.250000 Mg\n0.056429 0.943571 0.750000 Mg\n0.387308 0.612692 0.750000 Mg\n0.279447 0.720553 0.250000 Cd\n0.720553 0.279447 0.750000 Cd\n",
"nsites": 6,
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"chemical_system": "Cd-Mg",
"density": 3.9754282246437467,
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"volume": 134.51716189239448,
"volume_molar": 13.501354725861793,
"formula_full": "Mg4 Cd2",
"formula_reduced": "Mg2Cd",
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"energy": -8.62516455,
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"total_magnetization": 2.04e-05,
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"updated_at": "2021-11-28T01:38:07.279000Z",
"spacegroup": 63
}
]
}