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{
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{
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},
{
"id": "mp-752692",
"created_at": "2022-09-04T14:43:41.293911Z",
"structure_string": "K8 Sn4 O8\n1.0\n7.308729 0.000000 0.000000\n-3.632075 -6.650590 0.000000\n-3.352069 0.987175 -9.367782\nK Sn O\n8 4 8\ndirect\n0.394497 0.427665 0.140751 K\n0.937089 0.453406 0.172637 K\n0.927382 0.932609 0.183430 K\n0.241543 0.739574 0.507709 K\n0.758457 0.260426 0.492291 K\n0.072618 0.067391 0.816570 K\n0.062911 0.546594 0.827363 K\n0.605503 0.572335 0.859249 K\n0.398298 0.943935 0.125173 Sn\n0.694991 0.704511 0.474430 Sn\n0.305009 0.295489 0.525570 Sn\n0.601702 0.056065 0.874827 Sn\n0.067589 0.785406 0.020456 O\n0.503862 0.809706 0.007284 O\n0.342287 0.514799 0.374763 O\n0.804566 0.601335 0.352191 O\n0.195434 0.398665 0.647809 O\n0.657713 0.485201 0.625237 O\n0.496138 0.190294 0.992716 O\n0.932411 0.214594 0.979544 O\n",
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"elements": [
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],
"chemical_system": "K-O-Sn",
"density": 3.3390761013733012,
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"volume": 455.34315207655044,
"volume_molar": 13.710702779535364,
"formula_full": "K8 Sn4 O8",
"formula_reduced": "K2SnO2",
"formula_anonymous": "AB2C2",
"energy": -98.35302776999998,
"energy_per_atom": -4.9176513884999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -92.85702777,
"band_gap": 1.5380999999999998,
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"updated_at": "2021-11-28T01:36:14.240000Z",
"spacegroup": 2
},
{
"id": "mp-1207111",
"created_at": "2022-09-04T14:43:20.147585Z",
"structure_string": "Mg2 Al3 Si6\n1.0\n1.922972 7.462729 0.000000\n-1.922972 7.462729 0.000000\n0.000000 1.552896 6.341334\nMg Al Si\n2 3 6\ndirect\n0.172598 0.172598 0.072646 Mg\n0.827402 0.827402 0.927354 Mg\n0.910736 0.910736 0.446715 Al\n0.089264 0.089264 0.553285 Al\n0.000000 0.000000 0.000000 Al\n0.705230 0.705230 0.352477 Si\n0.294770 0.294770 0.647523 Si\n0.534447 0.534447 0.287049 Si\n0.465553 0.465553 0.712951 Si\n0.335770 0.335770 0.254255 Si\n0.664230 0.664230 0.745745 Si\n",
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"elements": [
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],
"chemical_system": "Al-Mg-Si",
"density": 2.7194597522650916,
"density_atomic": 0.06043818721835836,
"volume": 182.0041352375093,
"volume_molar": 9.96413201183961,
"formula_full": "Mg2 Al3 Si6",
"formula_reduced": "Mg2(AlSi2)3",
"formula_anonymous": "A2B3C6",
"energy": -44.20960814,
"energy_per_atom": -4.019055285454545,
"energy_above_hull": null,
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"formation_energy": null,
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"energy_uncorrected": -44.63560814,
"band_gap": 0.0,
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"is_magnetic": false,
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"updated_at": "2021-11-28T01:36:09.929000Z",
"spacegroup": 12
},
{
"id": "mp-1207129",
"created_at": "2022-09-04T14:43:20.148426Z",
"structure_string": "Nd2 Ni2 Sn1\n1.0\n-2.172555 2.916430 4.246927\n2.172555 -2.916430 4.246927\n2.172555 2.916430 -4.246927\nNd Ni Sn\n2 2 1\ndirect\n0.295808 0.795808 0.500000 Nd\n0.704192 0.204192 0.500000 Nd\n0.707981 0.500000 0.207981 Ni\n0.292019 0.500000 0.792019 Ni\n0.000000 0.000000 0.000000 Sn\n",
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"nelements": 3,
"elements": [
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"Ni",
"Sn"
],
"chemical_system": "Nd-Ni-Sn",
"density": 8.092903547871211,
"density_atomic": 0.04645290519518267,
"volume": 107.63589443956924,
"volume_molar": 12.963970142871746,
"formula_full": "Nd2 Ni2 Sn1",
"formula_reduced": "Nd2Ni2Sn",
"formula_anonymous": "AB2C2",
"energy": -27.70654845,
"energy_per_atom": -5.54130969,
"energy_above_hull": null,
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"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -27.70654845,
"band_gap": 0.0,
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"total_magnetization": 3.23e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:10.025000Z",
"spacegroup": 71
}
]
}