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{
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{
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"created_at": "2022-09-04T14:41:36.657110Z",
"structure_string": "Mg2 Sn9 O13\n1.0\n1.600300 8.032857 0.000000\n-1.600300 8.032857 0.000000\n0.000000 4.726130 15.058145\nMg Sn O\n2 9 13\ndirect\n0.372154 0.372154 0.764443 Mg\n0.627846 0.627846 0.235557 Mg\n0.500000 0.500000 0.500000 Sn\n0.673672 0.673672 0.889495 Sn\n0.326328 0.326328 0.110505 Sn\n0.795459 0.795459 0.622921 Sn\n0.204541 0.204541 0.377079 Sn\n0.968473 0.968473 0.886852 Sn\n0.031527 0.031527 0.113148 Sn\n0.088932 0.088932 0.673406 Sn\n0.911068 0.911068 0.326594 Sn\n0.000000 0.000000 0.000000 O\n0.958764 0.958764 0.753491 O\n0.041236 0.041236 0.246509 O\n0.381697 0.381697 0.903300 O\n0.618303 0.618303 0.096700 O\n0.563950 0.563950 0.837355 O\n0.436050 0.436050 0.162645 O\n0.782934 0.782934 0.761426 O\n0.217066 0.217066 0.238574 O\n0.392499 0.392499 0.617067 O\n0.607501 0.607501 0.382933 O\n0.059528 0.059528 0.547159 O\n0.940472 0.940472 0.452841 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Mg",
"Sn",
"O"
],
"chemical_system": "Mg-O-Sn",
"density": 5.683155087517885,
"density_atomic": 0.06199238288606411,
"volume": 387.14433746013015,
"volume_molar": 9.714323727591019,
"formula_full": "Mg2 Sn9 O13",
"formula_reduced": "Mg2Sn9O13",
"formula_anonymous": "A2B9C13",
"energy": -148.93800503,
"energy_per_atom": -6.205750209583333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -140.00700503,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.04e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:27.712000Z",
"spacegroup": 12
},
{
"id": "mp-1220199",
"created_at": "2022-09-04T14:41:30.346620Z",
"structure_string": "Nd1 In7 Cu5\n1.0\n-2.816512 4.725795 4.736374\n2.816512 -4.725795 4.736374\n2.816512 4.725795 -4.736374\nNd In Cu\n1 7 5\ndirect\n0.999809 0.000000 0.999809 Nd\n0.655376 0.000000 0.655376 In\n0.336668 0.000000 0.336668 In\n0.329136 0.341621 0.987515 In\n0.645894 0.658379 0.987515 In\n0.772494 0.500000 0.272494 In\n0.811740 0.299092 0.512648 In\n0.213556 0.700908 0.512648 In\n0.494396 0.487057 0.496723 Cu\n0.494396 0.997673 0.007339 Cu\n0.009666 0.002327 0.496723 Cu\n0.009666 0.512943 0.007339 Cu\n0.227202 0.500000 0.727202 Cu\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Nd",
"In",
"Cu"
],
"chemical_system": "Cu-In-Nd",
"density": 8.334637719756763,
"density_atomic": 0.05155263737014984,
"volume": 252.16944589390297,
"volume_molar": 11.681537681109907,
"formula_full": "Nd1 In7 Cu5",
"formula_reduced": "NdIn7Cu5",
"formula_anonymous": "AB5C7",
"energy": -45.78478327,
"energy_per_atom": -3.521906405384615,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -45.78478327,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:19.565000Z",
"spacegroup": 44
}
]
}