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{
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{
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{
"id": "mp-1184951",
"created_at": "2022-09-04T14:41:04.131776Z",
"structure_string": "Li2 Ge1 Pt1\n1.0\n0.000000 3.005245 3.005245\n3.005245 0.000000 3.005245\n3.005245 3.005245 0.000000\nLi Ge Pt\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Li\n0.750000 0.750000 0.750000 Li\n0.500000 0.500000 0.500000 Ge\n0.000000 0.000000 0.000000 Pt\n",
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},
{
"id": "mp-1332076",
"created_at": "2022-09-04T14:47:15.579566Z",
"structure_string": "Li4 Mn2 V2 P8 O28\n1.0\n7.158114 0.000000 0.000000\n-1.744575 9.451797 0.000000\n-1.750527 -5.109986 7.954266\nLi Mn V P O\n4 2 2 8 28\ndirect\n0.325041 0.361297 0.568180 Li\n0.674270 0.861419 0.819310 Li\n0.325728 0.361310 0.071560 Li\n0.675924 0.860681 0.319144 Li\n0.269945 0.999499 0.742784 Mn\n0.730712 0.498153 0.509935 Mn\n0.271786 0.999286 0.243042 V\n0.727520 0.500268 0.005753 V\n0.518451 0.179081 0.470335 P\n0.521760 0.179207 0.969821 P\n0.087097 0.787956 0.545071 P\n0.088447 0.783006 0.044569 P\n0.910920 0.286217 0.419749 P\n0.913650 0.284228 0.920496 P\n0.483367 0.678577 0.102318 P\n0.476991 0.679957 0.598500 P\n0.084628 0.933598 0.875327 O\n0.391859 0.176507 0.806391 O\n0.505214 0.841410 0.956679 O\n0.112379 0.202642 0.518431 O\n0.150131 0.827164 0.690086 O\n0.480916 0.034152 0.628897 O\n0.494919 0.340492 0.454384 O\n0.506672 0.343045 0.956782 O\n0.604432 0.677249 0.765268 O\n0.609297 0.673092 0.271371 O\n0.916120 0.432761 0.939726 O\n0.911232 0.436510 0.438291 O\n0.750921 0.154952 0.500768 O\n0.246231 0.654621 0.595260 O\n0.250566 0.653890 0.095610 O\n0.087571 0.937085 0.376430 O\n0.395710 0.173860 0.306277 O\n0.492299 0.842805 0.448686 O\n0.517976 0.537069 0.584164 O\n0.517829 0.536493 0.084524 O\n0.855700 0.324364 0.736747 O\n0.846257 0.326631 0.235388 O\n0.888252 0.693902 0.029300 O\n0.885817 0.704770 0.528835 O\n0.113531 0.195823 0.025417 O\n0.147054 0.825481 0.185417 O\n0.482542 0.038068 0.128536 O\n0.752333 0.152585 0.000859 O\n",
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"formula_full": "Li4 Mn2 V2 P8 O28",
"formula_reduced": "Li2MnV(P2O7)2",
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"spacegroup": 1
},
{
"id": "mp-1214190",
"created_at": "2022-09-04T14:43:22.771873Z",
"structure_string": "Bi8 Se4\n1.0\n-2.116687 -3.666209 0.000000\n-2.116687 3.666209 0.000000\n0.000000 0.000000 -24.448134\nBi Se\n8 4\ndirect\n0.666667 0.333333 0.460297 Bi\n0.333333 0.666667 0.539703 Bi\n0.666667 0.333333 0.703979 Bi\n0.333333 0.666667 0.296021 Bi\n0.666667 0.333333 0.946636 Bi\n0.333333 0.666667 0.053364 Bi\n0.000000 0.000000 0.866280 Bi\n0.000000 0.000000 0.133720 Bi\n0.666667 0.333333 0.224081 Se\n0.333333 0.666667 0.775919 Se\n0.000000 0.000000 0.635910 Se\n0.000000 0.000000 0.364090 Se\n",
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"formula_full": "Bi8 Se4",
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{
"id": "mp-568495",
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"structure_string": "Cu20 Sn6\n1.0\n3.680850 -6.375420 0.000000\n3.680850 6.375420 0.000000\n0.000000 0.000000 7.934684\nCu Sn\n20 6\ndirect\n0.666667 0.333333 0.574216 Cu\n0.972316 0.331044 0.413501 Cu\n0.358728 0.027684 0.413501 Cu\n0.641272 0.972316 0.913501 Cu\n0.000000 0.000000 0.488079 Cu\n0.666667 0.333333 0.246745 Cu\n0.027751 0.671010 0.580742 Cu\n0.333333 0.666667 0.746745 Cu\n0.333333 0.666667 0.074216 Cu\n0.333333 0.666667 0.420024 Cu\n0.027684 0.668956 0.913501 Cu\n0.666667 0.333333 0.920024 Cu\n0.643259 0.972249 0.580742 Cu\n0.668956 0.641272 0.413501 Cu\n0.328990 0.356741 0.580742 Cu\n0.356741 0.027751 0.080742 Cu\n0.671010 0.643259 0.080742 Cu\n0.331044 0.358728 0.913501 Cu\n0.972249 0.328990 0.080742 Cu\n0.000000 0.000000 0.988079 Cu\n0.683649 0.976890 0.246802 Sn\n0.023110 0.706760 0.246802 Sn\n0.316351 0.023110 0.746802 Sn\n0.976890 0.293240 0.746802 Sn\n0.293240 0.316351 0.246802 Sn\n0.706760 0.683649 0.746802 Sn\n",
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{
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{
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{
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{
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{
"id": "mp-1111168",
"created_at": "2022-09-04T14:46:20.357760Z",
"structure_string": "Na2 In1 Hg1 F6\n1.0\n0.000000 4.558019 4.558019\n4.558019 0.000000 4.558019\n4.558019 4.558019 0.000000\nNa In Hg F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Na\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 Hg\n0.231053 0.231053 0.768947 F\n0.231053 0.768947 0.768947 F\n0.768947 0.768947 0.231053 F\n0.231053 0.768947 0.231053 F\n0.768947 0.231053 0.768947 F\n0.768947 0.231053 0.231053 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Na",
"In",
"Hg",
"F"
],
"chemical_system": "F-Hg-In-Na",
"density": 4.168019563836483,
"density_atomic": 0.05280093471478014,
"volume": 189.3905866253686,
"volume_molar": 11.40536771276943,
"formula_full": "Na2 In1 Hg1 F6",
"formula_reduced": "Na2InHgF6",
"formula_anonymous": "ABC2D6",
"energy": -40.67647217999999,
"energy_per_atom": -4.067647217999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.90447218,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0105213,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:27.664000Z",
"spacegroup": 225
},
{
"id": "mp-1179352",
"created_at": "2022-09-04T14:47:00.531364Z",
"structure_string": "Sn4 Sb4\n1.0\n5.620079 2.792126 2.883160\n-3.595985 3.609517 3.609666\n-2.851056 -5.227345 2.348683\nSn Sb\n4 4\ndirect\n0.000000 0.000000 0.000000 Sn\n0.500000 0.000000 0.000000 Sn\n0.000000 0.000000 0.500000 Sn\n0.500000 0.000000 0.500000 Sn\n0.000000 0.500000 0.000000 Sb\n0.500000 0.500000 0.000000 Sb\n0.000000 0.500000 0.500000 Sb\n0.500000 0.500000 0.500000 Sb\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Sn",
"Sb"
],
"chemical_system": "Sb-Sn",
"density": 6.872699972728997,
"density_atomic": 0.034422894041938795,
"volume": 232.40346933797252,
"volume_molar": 17.494580068320182,
"formula_full": "Sn4 Sb4",
"formula_reduced": "SnSb",
"formula_anonymous": "AB",
"energy": -32.54295897,
"energy_per_atom": -4.06786987125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.77495897,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002296,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:49.091000Z",
"spacegroup": 65
}
]
}