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{
"id": "mp-1202722",
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{
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{
"id": "mp-1093559",
"created_at": "2022-09-04T14:39:12.269402Z",
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{
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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": "Be1 Fe2 P1\n1.0\n-4.282575 4.426611 6.146749\n4.282575 -4.426611 6.146749\n4.282575 4.426611 -6.146749\nBe Fe P\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.257260 0.000000 0.257260 Fe\n0.742740 0.000000 0.742740 Fe\n0.500000 0.000000 0.500000 P\n",
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"nelements": 3,
"elements": [
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"Fe",
"P"
],
"chemical_system": "Be-Fe-P",
"density": 0.540361000536563,
"density_atomic": 0.008581795957228857,
"volume": 466.1029019957773,
"volume_molar": 70.17343211157639,
"formula_full": "Be1 Fe2 P1",
"formula_reduced": "BeFe2P",
"formula_anonymous": "ABC2",
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"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.74019957,
"band_gap": 0.0,
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"is_magnetic": true,
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"updated_at": "2021-11-28T01:37:05.520000Z",
"spacegroup": 71
},
{
"id": "mp-1097612",
"created_at": "2022-09-04T14:42:10.202638Z",
"structure_string": "Na1 Ag2 Sn1\n1.0\n-5.378962 5.779855 8.833547\n5.378962 -5.779855 8.833547\n5.378962 5.779855 -8.833547\nNa Ag Sn\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.261581 0.000000 0.261581 Ag\n0.738419 0.000000 0.738419 Ag\n0.500000 0.000000 0.500000 Sn\n",
"nsites": 4,
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"elements": [
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"Ag",
"Sn"
],
"chemical_system": "Ag-Na-Sn",
"density": 0.5403026026167213,
"density_atomic": 0.0036412412696016864,
"volume": 1098.5264924335975,
"volume_molar": 165.387029150605,
"formula_full": "Na1 Ag2 Sn1",
"formula_reduced": "NaAg2Sn",
"formula_anonymous": "ABC2",
"energy": -6.13477469,
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"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -6.13477469,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
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"updated_at": "2021-11-28T01:35:43.377000Z",
"spacegroup": 71
},
{
"id": "mp-1095959",
"created_at": "2022-09-04T14:42:27.085966Z",
"structure_string": "Sc2 Tl1 Rh1\n1.0\n-5.192000 6.327778 9.291301\n5.192000 -6.327778 9.291301\n5.192000 6.327778 -9.291301\nSc Tl Rh\n2 1 1\ndirect\n0.000000 0.218552 0.218552 Sc\n0.000000 0.781448 0.781448 Sc\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 4,
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"elements": [
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"Tl",
"Rh"
],
"chemical_system": "Rh-Sc-Tl",
"density": 0.5401776119199754,
"density_atomic": 0.003275952170213027,
"volume": 1221.0190479490088,
"volume_molar": 183.828714434753,
"formula_full": "Sc2 Tl1 Rh1",
"formula_reduced": "Sc2TlRh",
"formula_anonymous": "ABC2",
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"energy_uncorrected": -15.25368354,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.3993856,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:47.680000Z",
"spacegroup": 71
}
]
}