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{
"id": "mp-1239060",
"created_at": "2022-09-04T14:39:08.827554Z",
"structure_string": "Li1 Mn1 O1\n1.0\n8.704628 0.000000 0.000000\n0.000000 8.704628 0.000000\n0.000000 0.000000 6.633036\nLi Mn O\n1 1 1\ndirect\n0.000000 0.000000 0.033572 Li\n0.000000 0.000000 0.563251 Mn\n0.000000 0.000000 0.291178 O\n",
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{
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"structure_string": "Li1 Sc2 Ga1\n1.0\n-5.718306 5.852933 8.032961\n5.718306 -5.852933 8.032961\n5.718306 5.852933 -8.032961\nLi Sc Ga\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.721416 0.000000 0.721416 Sc\n0.278584 0.000000 0.278584 Sc\n0.500000 0.000000 0.500000 Ga\n",
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"spacegroup": 71
},
{
"id": "mp-1206117",
"created_at": "2022-09-04T14:46:18.434880Z",
"structure_string": "K1 Yb3 O6\n1.0\n5.048430 -7.790620 0.000000\n5.048430 7.790620 0.000000\n0.000000 0.000000 53.752585\nK Yb O\n1 3 6\ndirect\n0.000000 0.000000 0.000000 K\n0.000000 0.000000 0.500000 Yb\n0.500000 0.000000 0.000000 Yb\n0.000000 0.500000 0.000000 Yb\n0.000000 0.000000 0.230975 O\n0.000000 0.000000 0.769025 O\n0.283322 0.997794 0.000000 O\n0.716678 0.002206 0.000000 O\n0.997794 0.283322 0.000000 O\n0.002206 0.716678 0.000000 O\n",
"nsites": 10,
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"elements": [
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"volume": 4228.2213087760865,
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"formula_full": "K1 Yb3 O6",
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"formula_anonymous": "AB3C6",
"energy": -36.515322,
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"updated_at": "2021-11-28T01:37:27.159000Z",
"spacegroup": 65
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{
"id": "mp-1096235",
"created_at": "2022-09-04T14:45:54.085149Z",
"structure_string": "Mg1 Sc2 Ga1\n1.0\n-5.838295 5.981372 8.511138\n5.838295 -5.981372 8.511138\n5.838295 5.981372 -8.511138\nMg Sc Ga\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.273089 0.273089 Sc\n0.000000 0.726911 0.726911 Sc\n0.000000 0.500000 0.500000 Ga\n",
"nsites": 4,
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"volume": 1188.8702852116135,
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"formula_full": "Mg1 Sc2 Ga1",
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"updated_at": "2021-11-28T01:37:07.576000Z",
"spacegroup": 71
},
{
"id": "mp-1247858",
"created_at": "2022-09-04T14:45:42.939074Z",
"structure_string": "Ag8 Te4\n1.0\n14.019176 0.414772 8.191274\n4.998201 13.270844 8.302850\n6.409570 5.034730 54.395364\nAg Te\n8 4\ndirect\n0.699808 0.500069 0.124978 Ag\n0.502698 0.302756 0.375006 Ag\n0.750014 0.749916 0.187531 Ag\n0.697286 0.497362 0.374968 Ag\n0.300989 0.499891 0.625045 Ag\n0.698968 0.499987 0.625033 Ag\n0.517069 0.683181 0.874961 Ag\n0.683214 0.517011 0.874961 Ag\n0.000103 0.000019 0.999918 Te\n0.999891 0.999880 0.250085 Te\n0.000114 0.000089 0.499932 Te\n0.999846 0.999837 0.750082 Te\n",
"nsites": 12,
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"density": 0.2547269449252411,
"density_atomic": 0.001340377703821693,
"volume": 8952.700396153657,
"volume_molar": 449.28684973120903,
"formula_full": "Ag8 Te4",
"formula_reduced": "Ag2Te",
"formula_anonymous": "AB2",
"energy": -8.98729825,
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"updated_at": "2021-11-28T01:37:19.053000Z",
"spacegroup": 1
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{
"id": "mp-1206274",
"created_at": "2022-09-04T14:45:31.177284Z",
"structure_string": "K1 Nd3 O6\n1.0\n-5.615127 -9.725685 0.000000\n-3.585194 8.553702 0.000000\n0.000000 0.000000 -44.707771\nK Nd O\n1 3 6\ndirect\n-0.000000 -0.000000 0.000000 K\n-0.000000 -0.000000 0.500000 Nd\n0.500000 0.500000 0.000000 Nd\n-0.000000 0.500000 0.000000 Nd\n-0.000000 -0.000000 0.769131 O\n-0.000000 -0.000000 0.230869 O\n0.714595 0.732369 -0.000000 O\n0.285405 0.267631 0.000000 O\n0.982226 0.267631 0.000000 O\n0.017774 0.732369 -0.000000 O\n",
"nsites": 10,
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"elements": [
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"Nd",
"O"
],
"chemical_system": "K-Nd-O",
"density": 0.25440764261854915,
"density_atomic": 0.002698173269833473,
"volume": 3706.211202891793,
"volume_molar": 223.193255501033,
"formula_full": "K1 Nd3 O6",
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"formula_anonymous": "AB3C6",
"energy": -45.88659767,
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"updated_at": "2021-11-28T01:36:59.931000Z",
"spacegroup": 65
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{
"id": "mp-1208704",
"created_at": "2022-09-04T14:42:05.916085Z",
"structure_string": "Tb2 Zn1 Sn3\n1.0\n10.336248 0.000000 0.000000\n0.000000 10.336248 0.000000\n0.000000 0.000000 45.322748\nTb Zn Sn\n2 1 3\ndirect\n0.500000 0.500000 0.250147 Tb\n0.500000 0.500000 0.749853 Tb\n0.500000 0.500000 0.500000 Zn\n0.500000 0.500000 0.000000 Sn\n0.500000 0.500000 0.685047 Sn\n0.500000 0.500000 0.314953 Sn\n",
"nsites": 6,
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"elements": [
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"Zn",
"Sn"
],
"chemical_system": "Sn-Tb-Zn",
"density": 0.2535598101856546,
"density_atomic": 0.0012391080388687453,
"volume": 4842.192780443708,
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"formula_full": "Tb2 Zn1 Sn3",
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"formula_anonymous": "AB2C3",
"energy": -8.21484536,
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"spacegroup": 123
},
{
"id": "mp-1093815",
"created_at": "2022-09-04T14:39:06.474916Z",
"structure_string": "Li2 Sc1 In1\n1.0\n-5.830803 6.195357 7.909795\n5.830803 -6.195357 7.909795\n5.830803 6.195357 -7.909795\nLi Sc In\n2 1 1\ndirect\n0.000000 0.254295 0.254295 Li\n0.000000 0.745705 0.745705 Li\n0.000000 0.000000 0.000000 Sc\n0.000000 0.500000 0.500000 In\n",
"nsites": 4,
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"elements": [
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"In"
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"density": 0.25230086860452267,
"density_atomic": 0.00349977453144646,
"volume": 1142.9307699850015,
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"formula_full": "Li2 Sc1 In1",
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"updated_at": "2021-11-28T01:34:39.920000Z",
"spacegroup": 71
},
{
"id": "mp-1093682",
"created_at": "2022-09-04T14:42:28.199308Z",
"structure_string": "Mg1 Sc2 Zn1\n1.0\n-5.863524 5.941002 8.496542\n5.863524 -5.941002 8.496542\n5.863524 5.941002 -8.496542\nMg Sc Zn\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.262711 0.262711 Sc\n0.000000 0.737289 0.737289 Sc\n0.000000 0.500000 0.500000 Zn\n",
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"volume": 1183.9152249811896,
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"formula_full": "Mg1 Sc2 Zn1",
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{
"id": "mp-1096633",
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"structure_string": "K2 Na1 Hg1\n1.0\n-6.936203 7.334759 9.804301\n6.936203 -7.334759 9.804301\n6.936203 7.334759 -9.804301\nK Na Hg\n2 1 1\ndirect\n0.251699 0.000000 0.251699 K\n0.748301 0.000000 0.748301 K\n0.000000 0.000000 0.000000 Na\n0.500000 0.000000 0.500000 Hg\n",
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"volume": 1995.1900532914656,
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"formula_full": "K2 Na1 Hg1",
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{
"id": "mp-1096726",
"created_at": "2022-09-04T14:42:19.617879Z",
"structure_string": "Ba1 Na2 Sn1\n1.0\n-6.894444 7.237143 10.015856\n6.894444 -7.237143 10.015856\n6.894444 7.237143 -10.015856\nBa Na Sn\n1 2 1\ndirect\n0.000000 0.500000 0.500000 Ba\n0.000000 0.216022 0.216022 Na\n0.000000 0.783978 0.783978 Na\n0.000000 0.000000 0.000000 Sn\n",
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"volume": 1999.0076941357943,
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{
"id": "mp-1093760",
"created_at": "2022-09-04T14:42:16.047472Z",
"structure_string": "K2 Rb1 Bi1\n1.0\n-7.562770 7.746729 10.539607\n7.562770 -7.746729 10.539607\n7.562770 7.746729 -10.539607\nK Rb Bi\n2 1 1\ndirect\n0.722165 0.000000 0.722165 K\n0.277835 0.000000 0.277835 K\n0.000000 0.000000 0.000000 Rb\n0.500000 0.000000 0.500000 Bi\n",
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"volume": 2469.9244249414974,
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"formula_full": "K2 Rb1 Bi1",
"formula_reduced": "K2RbBi",
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"energy": -4.66687083,
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"updated_at": "2021-11-28T01:35:38.162000Z",
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}
]
}