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{
"id": "mp-1095981",
"created_at": "2022-09-04T14:42:22.932092Z",
"structure_string": "Na1 Mg1 Cd2\n1.0\n-6.170359 6.331766 8.953741\n6.170359 -6.331766 8.953741\n6.170359 6.331766 -8.953741\nNa Mg Cd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.500000 0.500000 Mg\n0.000000 0.250342 0.250342 Cd\n0.000000 0.749658 0.749658 Cd\n",
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{
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{
"id": "mp-1095784",
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"structure_string": "Li1 Al1 Zn2\n1.0\n-5.311388 5.322754 7.526007\n5.311388 -5.322754 7.526007\n5.311388 5.322754 -7.526007\nLi Al Zn\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Al\n0.000000 0.249880 0.249880 Zn\n0.000000 0.750120 0.750120 Zn\n",
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"elements": [
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"volume": 851.0773492896335,
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"formula_full": "Li1 Al1 Zn2",
"formula_reduced": "LiAlZn2",
"formula_anonymous": "ABC2",
"energy": -3.25380539,
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"updated_at": "2021-11-28T01:38:28.739000Z",
"spacegroup": 71
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{
"id": "mp-1206918",
"created_at": "2022-09-04T14:46:28.599201Z",
"structure_string": "Tb3 Tl1 Se6\n1.0\n-5.729296 -9.923432 0.000000\n-5.961285 10.057371 0.000000\n0.000000 0.000000 -51.159997\nTb Tl Se\n3 1 6\ndirect\n0.000000 0.000000 0.500000 Tb\n0.500000 0.500000 -0.000000 Tb\n0.000000 0.500000 -0.000000 Tb\n0.000000 0.000000 -0.000000 Tl\n0.000000 0.000000 0.768983 Se\n0.000000 0.000000 0.231017 Se\n0.724735 0.717689 0.000000 Se\n0.275265 0.282311 0.000000 Se\n0.007046 0.282311 -0.000000 Se\n0.992954 0.717689 0.000000 Se\n",
"nsites": 10,
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"elements": [
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"chemical_system": "Se-Tb-Tl",
"density": 0.3210029193728802,
"density_atomic": 0.0016738179730926336,
"volume": 5974.365289866901,
"volume_molar": 359.78468727236674,
"formula_full": "Tb3 Tl1 Se6",
"formula_reduced": "Tb3TlSe6",
"formula_anonymous": "AB3C6",
"energy": -30.05619085,
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"updated_at": "2021-11-28T01:37:36.967000Z",
"spacegroup": 65
},
{
"id": "mp-1093629",
"created_at": "2022-09-04T14:47:59.727004Z",
"structure_string": "Mn1 Al2 Fe1\n1.0\n-5.021962 5.505678 7.706126\n5.021962 -5.505678 7.706126\n5.021962 5.505678 -7.706126\nMn Al Fe\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.257158 0.257158 Al\n0.000000 0.742842 0.742842 Al\n0.000000 0.500000 0.500000 Fe\n",
"nsites": 4,
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"elements": [
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"density": 0.3209844333555849,
"density_atomic": 0.004693314572242307,
"volume": 852.2761341541475,
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"formula_full": "Mn1 Al2 Fe1",
"formula_reduced": "MnAl2Fe",
"formula_anonymous": "ABC2",
"energy": -15.62109825,
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"updated_at": "2021-11-28T01:38:25.148000Z",
"spacegroup": 71
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{
"id": "mp-1097195",
"created_at": "2022-09-04T14:39:06.463512Z",
"structure_string": "Sr1 Ca1 Cd2\n1.0\n-6.700021 7.196469 9.467469\n6.700021 -7.196469 9.467469\n6.700021 7.196469 -9.467469\nSr Ca Cd\n1 1 2\ndirect\n0.500000 0.000000 0.500000 Sr\n0.000000 0.000000 0.000000 Ca\n0.245277 0.000000 0.245277 Cd\n0.754723 0.000000 0.754723 Cd\n",
"nsites": 4,
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"elements": [
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"Ca",
"Cd"
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"density": 0.3205851143346066,
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"volume": 1825.9526271917166,
"volume_molar": 274.90359355100804,
"formula_full": "Sr1 Ca1 Cd2",
"formula_reduced": "SrCaCd2",
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"energy": -1.39642433,
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"updated_at": "2021-11-28T01:34:29.895000Z",
"spacegroup": 71
},
{
"id": "mp-1096610",
"created_at": "2022-09-04T14:47:21.526960Z",
"structure_string": "Y2 Mg1 Ga1\n1.0\n-6.247762 6.320256 8.923658\n6.247762 -6.320256 8.923658\n6.247762 6.320256 -8.923658\nY Mg Ga\n2 1 1\ndirect\n0.000000 0.275862 0.275862 Y\n0.000000 0.724138 0.724138 Y\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Ga\n",
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],
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"density": 0.3202579533415583,
"density_atomic": 0.0028379055380047475,
"volume": 1409.4901843745965,
"volume_molar": 212.20370725355434,
"formula_full": "Y2 Mg1 Ga1",
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"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:38:06.193000Z",
"spacegroup": 71
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{
"id": "mp-1207532",
"created_at": "2022-09-04T14:42:55.439057Z",
"structure_string": "Zr2 Cu1 Sn3\n1.0\n8.987911 0.000000 0.000000\n0.000000 8.987911 0.000000\n0.000000 0.000000 38.670931\nZr Cu Sn\n2 1 3\ndirect\n0.500000 0.500000 0.251613 Zr\n0.500000 0.500000 0.748387 Zr\n0.500000 0.500000 0.500000 Cu\n0.500000 0.500000 0.675783 Sn\n0.500000 0.500000 0.324217 Sn\n0.500000 0.500000 0.000000 Sn\n",
"nsites": 6,
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"elements": [
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"volume": 3123.936190594023,
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"formula_full": "Zr2 Cu1 Sn3",
"formula_reduced": "Zr2CuSn3",
"formula_anonymous": "AB2C3",
"energy": -13.02978642,
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"updated_at": "2021-11-28T01:35:58.051000Z",
"spacegroup": 123
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{
"id": "mp-1096069",
"created_at": "2022-09-04T14:40:31.812405Z",
"structure_string": "Ba2 Na1 In1\n1.0\n-7.195333 7.255329 10.248390\n7.195333 -7.255329 10.248390\n7.195333 7.255329 -10.248390\nBa Na In\n2 1 1\ndirect\n0.000000 0.268231 0.268231 Ba\n0.000000 0.731769 0.731769 Ba\n0.000000 0.000000 0.000000 Na\n0.000000 0.500000 0.500000 In\n",
"nsites": 4,
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"elements": [
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"density": 0.3200436051318614,
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"volume": 2140.048638329161,
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"formula_full": "Ba2 Na1 In1",
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"updated_at": "2021-11-28T01:34:56.999000Z",
"spacegroup": 71
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{
"id": "mp-1097626",
"created_at": "2022-09-04T14:44:59.028696Z",
"structure_string": "Y2 Mg1 Zn1\n1.0\n-6.102177 6.350623 8.965326\n6.102177 -6.350623 8.965326\n6.102177 6.350623 -8.965326\nY Mg Zn\n2 1 1\ndirect\n0.000000 0.264324 0.264324 Y\n0.000000 0.735676 0.735676 Y\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Zn\n",
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{
"id": "mp-1097602",
"created_at": "2022-09-04T14:41:10.758351Z",
"structure_string": "La2 Mg1 Al1\n1.0\n-6.137076 7.376686 9.443863\n6.137076 -7.376686 9.443863\n6.137076 7.376686 -9.443863\nLa Mg Al\n2 1 1\ndirect\n0.000000 0.267876 0.267876 La\n0.000000 0.732124 0.732124 La\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Al\n",
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"volume": 1710.1431632176273,
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"formula_full": "La2 Mg1 Al1",
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{
"id": "mp-1206473",
"created_at": "2022-09-04T14:46:12.504078Z",
"structure_string": "Pr2 Zn1 Sb3\n1.0\n9.486870 0.000000 0.000000\n0.000000 9.486870 0.000000\n0.000000 0.000000 41.142718\nPr Zn Sb\n2 1 3\ndirect\n0.500000 0.500000 0.242785 Pr\n0.500000 0.500000 0.757215 Pr\n0.500000 0.500000 0.500000 Zn\n0.500000 0.500000 0.690792 Sb\n0.500000 0.500000 0.309208 Sb\n0.500000 0.500000 0.000000 Sb\n",
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"volume": 3702.8735185175806,
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"formula_full": "Pr2 Zn1 Sb3",
"formula_reduced": "Pr2ZnSb3",
"formula_anonymous": "AB2C3",
"energy": -12.0693538,
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"updated_at": "2021-11-28T01:37:27.816000Z",
"spacegroup": 123
}
]
}