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{
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{
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{
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{
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{
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{
"id": "mp-1192951",
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"structure_string": "Re2 S4 N2 O18\n1.0\n7.717741 0.287626 -1.751001\n-2.922917 7.218153 -1.918330\n-0.208202 -0.266557 8.004114\nRe S N O\n2 4 2 18\ndirect\n0.830471 0.842691 0.553281 Re\n0.169529 0.157309 0.446719 Re\n0.781911 0.827140 0.126182 S\n0.218089 0.172860 0.873818 S\n0.809607 0.248686 0.540080 S\n0.190393 0.751314 0.459920 S\n0.780311 0.280595 0.030641 N\n0.219689 0.719405 0.969359 N\n0.979971 0.709770 0.460931 O\n0.020029 0.290230 0.539069 O\n0.947884 0.027130 0.228801 O\n0.052116 0.972870 0.771199 O\n0.713934 0.811457 0.297191 O\n0.286066 0.188543 0.702809 O\n0.785504 0.074844 0.608425 O\n0.214496 0.925156 0.391575 O\n0.854719 0.686455 0.067344 O\n0.145281 0.313545 0.932656 O\n0.638232 0.854581 0.002012 O\n0.361768 0.145419 0.997988 O\n0.818234 0.398105 0.688293 O\n0.181766 0.601895 0.311707 O\n0.680684 0.196434 0.359084 O\n0.319316 0.803566 0.640916 O\n0.674872 0.696161 0.607332 O\n0.325128 0.303839 0.392668 O\n",
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{
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{
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"id": "mp-1017531",
"created_at": "2022-09-04T14:40:29.633191Z",
"structure_string": "V2 Pt2\n1.0\n2.708746 0.000000 0.000000\n0.000000 4.406270 0.000000\n0.000000 0.000000 4.809712\nV Pt\n2 2\ndirect\n0.000000 0.250000 0.170633 V\n0.000000 0.750000 0.829367 V\n0.500000 0.250000 0.681526 Pt\n0.500000 0.750000 0.318474 Pt\n",
"nsites": 4,
"nelements": 2,
"elements": [
"V",
"Pt"
],
"chemical_system": "Pt-V",
"density": 14.233141125508912,
"density_atomic": 0.06967893925172831,
"volume": 57.40615518771383,
"volume_molar": 8.642698675770422,
"formula_full": "V2 Pt2",
"formula_reduced": "VPt",
"formula_anonymous": "AB",
"energy": -32.51031696,
"energy_per_atom": -8.12757924,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.51031696,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.8e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:53.383000Z",
"spacegroup": 51
},
{
"id": "mp-402",
"created_at": "2022-09-04T14:40:29.652908Z",
"structure_string": "Cd4 P8\n1.0\n5.247706 0.000000 0.000000\n0.000000 5.482379 0.000000\n0.000000 0.000000 10.014610\nCd P\n4 8\ndirect\n0.247773 0.398926 0.347962 Cd\n0.747773 0.601074 0.652038 Cd\n0.247773 0.101074 0.847962 Cd\n0.747773 0.898926 0.152038 Cd\n0.597976 0.224925 0.506621 P\n0.097976 0.775075 0.493379 P\n0.597976 0.275075 0.006621 P\n0.097976 0.724925 0.993379 P\n0.401551 0.559549 0.119494 P\n0.901551 0.440451 0.880506 P\n0.401551 0.940451 0.619494 P\n0.901551 0.059549 0.380506 P\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Cd",
"P"
],
"chemical_system": "Cd-P",
"density": 4.0195707785757095,
"density_atomic": 0.04164939082369889,
"volume": 288.11946015719127,
"volume_molar": 14.459132873015147,
"formula_full": "Cd4 P8",
"formula_reduced": "CdP2",
"formula_anonymous": "AB2",
"energy": -48.44747204,
"energy_per_atom": -4.0372893366666665,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -48.44747204,
"band_gap": 1.4897999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0014315,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:03.722000Z",
"spacegroup": 33
}
]
}