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{
"id": "mp-1226773",
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{
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{
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"created_at": "2022-09-04T14:46:23.509999Z",
"structure_string": "Eu4 Sn2 Se10\n1.0\n4.149029 0.000000 0.000000\n0.000000 8.213927 0.000000\n0.000000 0.000000 12.029848\nEu Sn Se\n4 2 10\ndirect\n0.500000 0.577839 0.172201 Eu\n0.500000 0.422161 0.827799 Eu\n0.500000 0.922161 0.672201 Eu\n0.500000 0.077839 0.327799 Eu\n0.000000 0.500000 0.500000 Sn\n0.000000 0.000000 0.000000 Sn\n0.000000 0.000000 0.500000 Se\n0.000000 0.500000 0.000000 Se\n0.000000 0.857884 0.204498 Se\n0.000000 0.142116 0.795502 Se\n0.000000 0.642116 0.704498 Se\n0.000000 0.357884 0.295502 Se\n0.500000 0.699104 0.428302 Se\n0.500000 0.300896 0.571698 Se\n0.500000 0.800896 0.928302 Se\n0.500000 0.199104 0.071698 Se\n",
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{
"id": "mp-1191874",
"created_at": "2022-09-04T14:44:11.231927Z",
"structure_string": "Ba8 Fe4 S12\n1.0\n4.172534 0.000000 0.000000\n0.000000 12.100001 0.000000\n0.000000 0.000000 12.180521\nBa Fe S\n8 4 12\ndirect\n0.250000 0.480351 0.825228 Ba\n0.250000 0.019649 0.325228 Ba\n0.750000 0.519649 0.174772 Ba\n0.750000 0.980351 0.674772 Ba\n0.250000 0.670570 0.487643 Ba\n0.250000 0.829430 0.987643 Ba\n0.750000 0.329430 0.512357 Ba\n0.750000 0.170570 0.012357 Ba\n0.250000 0.200461 0.745110 Fe\n0.250000 0.299539 0.245110 Fe\n0.750000 0.799539 0.254890 Fe\n0.750000 0.700461 0.754890 Fe\n0.250000 0.054758 0.857294 S\n0.250000 0.445242 0.357294 S\n0.750000 0.945242 0.142706 S\n0.750000 0.554758 0.642706 S\n0.250000 0.144504 0.569009 S\n0.250000 0.355496 0.069009 S\n0.750000 0.855496 0.430991 S\n0.750000 0.644504 0.930991 S\n0.250000 0.737117 0.234238 S\n0.250000 0.762883 0.734238 S\n0.750000 0.262883 0.765762 S\n0.750000 0.237117 0.265762 S\n",
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{
"id": "mp-1232081",
"created_at": "2022-09-04T14:44:08.465395Z",
"structure_string": "Tm8 Mg4 Se16\n1.0\n3.967653 0.000000 0.000000\n0.000000 13.034087 0.000000\n0.000000 0.000000 13.873826\nTm Mg Se\n8 4 16\ndirect\n0.250000 0.113763 0.075730 Tm\n0.750000 0.886237 0.924270 Tm\n0.750000 0.386237 0.575730 Tm\n0.250000 0.613763 0.424270 Tm\n0.250000 0.144188 0.702071 Tm\n0.750000 0.855812 0.297929 Tm\n0.750000 0.355812 0.202071 Tm\n0.250000 0.644188 0.797929 Tm\n0.750000 0.115883 0.442351 Mg\n0.250000 0.884117 0.557649 Mg\n0.250000 0.384117 0.942351 Mg\n0.750000 0.615883 0.057649 Mg\n0.750000 0.015208 0.614149 Se\n0.250000 0.984792 0.385851 Se\n0.250000 0.484792 0.114149 Se\n0.750000 0.515208 0.885851 Se\n0.250000 0.030959 0.880783 Se\n0.750000 0.969041 0.119217 Se\n0.750000 0.469041 0.380783 Se\n0.250000 0.530959 0.619217 Se\n0.250000 0.219348 0.252003 Se\n0.750000 0.780652 0.747997 Se\n0.750000 0.280652 0.752003 Se\n0.250000 0.719348 0.247997 Se\n0.750000 0.256717 0.015219 Se\n0.250000 0.743283 0.984781 Se\n0.250000 0.243283 0.515219 Se\n0.750000 0.756717 0.484781 Se\n",
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{
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{
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{
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{
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{
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"formation_energy": null,
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"energy_uncorrected": -27.63819707,
"band_gap": 0.0,
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"total_magnetization": 2.1e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:35.495000Z",
"spacegroup": 38
},
{
"id": "mp-1187616",
"created_at": "2022-09-04T14:47:16.089950Z",
"structure_string": "Yb1 Ho1 Hg2\n1.0\n0.000000 3.714520 3.714520\n3.714520 0.000000 3.714520\n3.714520 3.714520 0.000000\nYb Ho Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Ho\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Ho",
"Hg"
],
"chemical_system": "Hg-Ho-Yb",
"density": 11.974124459378949,
"density_atomic": 0.03902311129192696,
"volume": 102.5033593573948,
"volume_molar": 15.432241460577366,
"formula_full": "Yb1 Ho1 Hg2",
"formula_reduced": "YbHoHg2",
"formula_anonymous": "ABC2",
"energy": -8.99432481,
"energy_per_atom": -2.2485812025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -8.99432481,
"band_gap": 0.0,
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"total_magnetization": 0.0023982,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:01.292000Z",
"spacegroup": 225
},
{
"id": "mp-1212858",
"created_at": "2022-09-04T14:40:24.520302Z",
"structure_string": "Dy10 Sb2 Pt4\n1.0\n-3.871062 3.871062 6.840535\n3.871062 -3.871062 6.840535\n3.871062 3.871062 -6.840535\nDy Sb Pt\n10 2 4\ndirect\n0.000000 0.000000 0.000000 Dy\n0.500000 0.500000 0.000000 Dy\n0.796337 0.296337 0.815861 Dy\n0.203663 0.703663 0.184139 Dy\n0.480476 0.980476 0.184139 Dy\n0.296337 0.480476 0.500000 Dy\n0.019524 0.203663 0.500000 Dy\n0.519524 0.019524 0.815861 Dy\n0.703663 0.519524 0.500000 Dy\n0.980476 0.796337 0.500000 Dy\n0.250000 0.250000 0.000000 Sb\n0.750000 0.750000 0.000000 Sb\n0.137687 0.637687 0.775375 Pt\n0.862313 0.362313 0.224625 Pt\n0.637687 0.862313 0.500000 Pt\n0.362313 0.137687 0.500000 Pt\n",
"nsites": 16,
"nelements": 3,
"elements": [
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"Sb",
"Pt"
],
"chemical_system": "Dy-Pt-Sb",
"density": 10.727465632064453,
"density_atomic": 0.03902201285788563,
"volume": 410.0249789335686,
"volume_molar": 15.432675864087406,
"formula_full": "Dy10 Sb2 Pt4",
"formula_reduced": "Dy5SbPt2",
"formula_anonymous": "AB2C5",
"energy": -94.46177058,
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"updated_at": "2021-11-28T01:34:47.655000Z",
"spacegroup": 140
}
]
}