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{
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{
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{
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{
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{
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"structure_string": "Rb3 Nd1\n1.0\n-3.074328 3.074328 6.997882\n3.074328 -3.074328 6.997882\n3.074328 3.074328 -6.997882\nRb Nd\n3 1\ndirect\n0.500000 0.500000 0.000000 Rb\n0.750000 0.250000 0.500000 Rb\n0.250000 0.750000 0.500000 Rb\n0.000000 0.000000 0.000000 Nd\n",
"nsites": 4,
"nelements": 2,
"elements": [
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"Nd"
],
"chemical_system": "Nd-Rb",
"density": 2.5146772387912804,
"density_atomic": 0.015119345239658388,
"volume": 264.56172119860776,
"volume_molar": 39.8306981191473,
"formula_full": "Rb3 Nd1",
"formula_reduced": "Rb3Nd",
"formula_anonymous": "AB3",
"energy": -5.30667613,
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"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.30667613,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.6851287,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:32.874000Z",
"spacegroup": 139
},
{
"id": "mp-978790",
"created_at": "2022-09-04T14:39:28.057354Z",
"structure_string": "Sm3 Ag1\n1.0\n-2.360920 2.360920 5.158550\n2.360920 -2.360920 5.158550\n2.360920 2.360920 -5.158550\nSm Ag\n3 1\ndirect\n0.750000 0.250000 0.500000 Sm\n0.250000 0.750000 0.500000 Sm\n0.500000 0.500000 0.000000 Sm\n0.000000 0.000000 0.000000 Ag\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sm",
"Ag"
],
"chemical_system": "Ag-Sm",
"density": 8.069943261145738,
"density_atomic": 0.03477841722050638,
"volume": 115.01385973486688,
"volume_molar": 17.315741316856617,
"formula_full": "Sm3 Ag1",
"formula_reduced": "Sm3Ag",
"formula_anonymous": "AB3",
"energy": -16.91742199,
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"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -16.91742199,
"band_gap": 0.0,
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"total_magnetization": 0.0097839,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:41.008000Z",
"spacegroup": 139
},
{
"id": "mp-1072259",
"created_at": "2022-09-04T14:40:24.204194Z",
"structure_string": "Lu2 Sn4\n1.0\n2.191499 -8.063773 0.000000\n2.191499 8.063773 0.000000\n0.000000 0.000000 4.336309\nLu Sn\n2 4\ndirect\n0.901325 0.098675 0.750000 Lu\n0.098675 0.901325 0.250000 Lu\n0.565093 0.434907 0.750000 Sn\n0.434907 0.565093 0.250000 Sn\n0.250491 0.749509 0.750000 Sn\n0.749509 0.250491 0.250000 Sn\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Lu",
"Sn"
],
"chemical_system": "Lu-Sn",
"density": 8.936228626180029,
"density_atomic": 0.039149071141181664,
"volume": 153.26034118057234,
"volume_molar": 15.38258912525052,
"formula_full": "Lu2 Sn4",
"formula_reduced": "LuSn2",
"formula_anonymous": "AB2",
"energy": -28.08568969,
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"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.08568969,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003264,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:56.752000Z",
"spacegroup": 63
},
{
"id": "mp-23216",
"created_at": "2022-09-04T14:39:15.148847Z",
"structure_string": "Sn4 Br16\n1.0\n7.624877 0.000000 0.000000\n0.000000 11.413881 0.000000\n0.000000 2.562564 11.170791\nSn Br\n4 16\ndirect\n0.077465 0.250151 0.132740 Sn\n0.577465 0.749849 0.367260 Sn\n0.922535 0.749849 0.867260 Sn\n0.422535 0.250151 0.632740 Sn\n0.924289 0.198252 0.960280 Br\n0.424289 0.801748 0.539720 Br\n0.075711 0.801748 0.039720 Br\n0.575711 0.198252 0.460280 Br\n0.422605 0.073275 0.803960 Br\n0.922605 0.926725 0.696040 Br\n0.577395 0.926725 0.196040 Br\n0.077395 0.073275 0.303960 Br\n0.116144 0.310811 0.576712 Br\n0.616144 0.689189 0.923288 Br\n0.883856 0.689189 0.423288 Br\n0.383856 0.310811 0.076712 Br\n0.578571 0.418231 0.692868 Br\n0.078571 0.581769 0.807132 Br\n0.421429 0.581769 0.307132 Br\n0.921429 0.418231 0.192868 Br\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Sn",
"Br"
],
"chemical_system": "Br-Sn",
"density": 2.994719924131497,
"density_atomic": 0.020572159678103486,
"volume": 972.1876707620308,
"volume_molar": 29.27325499232743,
"formula_full": "Sn4 Br16",
"formula_reduced": "SnBr4",
"formula_anonymous": "AB4",
"energy": -64.57789081,
"energy_per_atom": -3.2288945405,
"energy_above_hull": null,
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"energy_uncorrected": -56.03389081,
"band_gap": 2.7107,
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"total_magnetization": 0.0005245,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:45.242000Z",
"spacegroup": 14
}
]
}