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{
"id": "mp-1206726",
"created_at": "2022-09-04T14:42:01.320940Z",
"structure_string": "Tb2 Ag1 Sb3\n1.0\n10.262590 0.000000 0.000000\n0.000000 10.262590 0.000000\n0.000000 0.000000 38.551178\nTb Ag Sb\n2 1 3\ndirect\n0.500000 0.500000 0.241815 Tb\n0.500000 0.500000 0.758185 Tb\n0.500000 0.500000 0.500000 Ag\n0.500000 0.500000 0.689723 Sb\n0.500000 0.500000 0.310277 Sb\n0.500000 0.500000 0.000000 Sb\n",
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{
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{
"id": "mp-1097376",
"created_at": "2022-09-04T14:39:17.349016Z",
"structure_string": "Ba2 Sr1 Ca1\n1.0\n-7.829504 7.976100 10.955554\n7.829504 -7.976100 10.955554\n7.829504 7.976100 -10.955554\nBa Sr Ca\n2 1 1\ndirect\n0.248774 0.000000 0.248774 Ba\n0.751226 0.000000 0.751226 Ba\n0.500000 0.000000 0.500000 Sr\n0.000000 0.000000 0.000000 Ca\n",
"nsites": 4,
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"volume": 2736.6494851373973,
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"formula_full": "Ba2 Sr1 Ca1",
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"spacegroup": 71
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{
"id": "mp-1206225",
"created_at": "2022-09-04T14:47:37.102866Z",
"structure_string": "Tb2 Te3\n1.0\n9.816850 0.000000 0.000000\n0.000000 9.816850 0.000000\n0.000000 0.000000 35.751802\nTb Te\n2 3\ndirect\n0.500000 0.500000 0.284070 Tb\n0.500000 0.500000 0.715930 Tb\n0.500000 0.500000 0.642031 Te\n0.500000 0.500000 0.357969 Te\n0.500000 0.500000 0.000000 Te\n",
"nsites": 5,
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"density": 0.3376823885360381,
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"volume": 3445.4206049495233,
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"formula_full": "Tb2 Te3",
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"energy": -12.76986251,
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"updated_at": "2021-11-28T01:38:21.948000Z",
"spacegroup": 123
},
{
"id": "mp-1206317",
"created_at": "2022-09-04T14:41:25.024245Z",
"structure_string": "La2 Cd1 Sb3\n1.0\n9.870107 0.000000 0.000000\n0.000000 9.870107 0.000000\n0.000000 0.000000 42.535734\nLa Cd Sb\n2 1 3\ndirect\n0.500000 0.500000 0.243978 La\n0.500000 0.500000 0.756022 La\n0.500000 0.500000 0.500000 Cd\n0.500000 0.500000 0.691877 Sb\n0.500000 0.500000 0.308123 Sb\n0.500000 0.500000 0.000000 Sb\n",
"nsites": 6,
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"volume": 4143.789189118232,
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"formula_full": "La2 Cd1 Sb3",
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"updated_at": "2021-11-28T01:35:20.507000Z",
"spacegroup": 123
},
{
"id": "mp-1207230",
"created_at": "2022-09-04T14:43:04.258253Z",
"structure_string": "Mg1 Br6\n1.0\n5.533107 -8.439012 0.000000\n5.533107 8.439012 0.000000\n0.000000 0.000000 52.555475\nMg Br\n1 6\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.000000 0.249998 Br\n0.000000 0.000000 0.750002 Br\n0.253143 0.010350 0.000000 Br\n0.746857 0.989650 0.000000 Br\n0.010350 0.253143 0.000000 Br\n0.989650 0.746857 0.000000 Br\n",
"nsites": 7,
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"density": 0.17042661461676434,
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"volume": 4908.046113339103,
"volume_molar": 422.2420650156999,
"formula_full": "Mg1 Br6",
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"formula_anonymous": "AB6",
"energy": -14.15298613,
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"updated_at": "2021-11-28T01:35:55.341000Z",
"spacegroup": 65
},
{
"id": "mp-1207339",
"created_at": "2022-09-04T14:43:57.577920Z",
"structure_string": "Lu2 Cu1 Sb3\n1.0\n10.221528 0.000000 0.000000\n0.000000 10.221528 0.000000\n0.000000 0.000000 40.407838\nLu Cu Sb\n2 1 3\ndirect\n0.500000 0.500000 0.243891 Lu\n0.500000 0.500000 0.756109 Lu\n0.500000 0.500000 0.500000 Cu\n0.500000 0.500000 0.691925 Sb\n0.500000 0.500000 0.308075 Sb\n0.500000 0.500000 0.000000 Sb\n",
"nsites": 6,
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"volume": 4221.796151429697,
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"formula_full": "Lu2 Cu1 Sb3",
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"formula_anonymous": "AB2C3",
"energy": -11.10765553,
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"updated_at": "2021-11-28T01:36:42.591000Z",
"spacegroup": 123
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{
"id": "mp-1207321",
"created_at": "2022-09-04T14:42:20.565353Z",
"structure_string": "Pr2 Cu1 Sb3\n1.0\n10.074944 0.000000 0.000000\n0.000000 10.074944 0.000000\n0.000000 0.000000 41.747216\nPr Cu Sb\n2 1 3\ndirect\n0.500000 0.500000 0.243344 Pr\n0.500000 0.500000 0.756656 Pr\n0.500000 0.500000 0.500000 Cu\n0.500000 0.500000 0.691321 Sb\n0.500000 0.500000 0.308679 Sb\n0.500000 0.500000 0.000000 Sb\n",
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"volume": 4237.530144662385,
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"formula_full": "Pr2 Cu1 Sb3",
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"formula_anonymous": "AB2C3",
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"updated_at": "2021-11-28T01:35:42.116000Z",
"spacegroup": 123
},
{
"id": "mp-1097396",
"created_at": "2022-09-04T14:45:59.802166Z",
"structure_string": "Y2 Ga1 Pb1\n1.0\n-5.696480 9.229179 13.484509\n5.696480 -9.229179 13.484509\n5.696480 9.229179 -13.484509\nY Ga Pb\n2 1 1\ndirect\n0.000000 0.249157 0.249157 Y\n0.000000 0.750843 0.750843 Y\n0.000000 0.000000 0.000000 Ga\n0.000000 0.500000 0.500000 Pb\n",
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"volume": 2835.729328831114,
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"formula_full": "Y2 Ga1 Pb1",
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"updated_at": "2021-11-28T01:37:19.799000Z",
"spacegroup": 71
},
{
"id": "mp-1225236",
"created_at": "2022-09-04T14:43:10.128845Z",
"structure_string": "Na4 Zn2 Sn10\n1.0\n18.732225 -0.000000 -0.000000\n-0.000000 18.660966 -0.000000\n9.366113 9.330484 32.641176\nNa Zn Sn\n4 2 10\ndirect\n0.406011 0.954778 0.789564 Na\n0.343989 0.994342 0.710436 Na\n0.804424 0.255658 0.789564 Na\n0.945576 0.295222 0.710436 Na\n0.749991 0.249991 0.500017 Zn\n0.000009 0.000009 0.999983 Zn\n0.266693 0.777340 0.130877 Sn\n0.483307 0.158217 0.369123 Sn\n0.602430 0.091783 0.130877 Sn\n0.147570 0.472660 0.369123 Sn\n0.222690 0.397538 0.869052 Sn\n0.527310 0.516590 0.630948 Sn\n0.908258 0.733410 0.869052 Sn\n0.841742 0.852462 0.630948 Sn\n0.249972 0.749972 0.500056 Sn\n0.500028 0.500028 -0.000056 Sn\n",
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{
"id": "mp-1206272",
"created_at": "2022-09-04T14:47:12.740983Z",
"structure_string": "Ta1 Se6\n1.0\n5.030092 -8.664420 0.000000\n5.030092 8.664420 0.000000\n0.000000 0.000000 57.327041\nTa Se\n1 6\ndirect\n0.000000 0.000000 0.000000 Ta\n0.000000 0.000000 0.250000 Se\n0.000000 0.000000 0.750000 Se\n0.246090 0.998302 0.000000 Se\n0.753910 0.001698 0.000000 Se\n0.998302 0.246090 0.000000 Se\n0.001698 0.753910 0.000000 Se\n",
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"volume": 4996.94933327022,
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"formula_full": "Ta1 Se6",
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{
"id": "mp-1206948",
"created_at": "2022-09-04T14:45:32.547451Z",
"structure_string": "Ho2 Cu1 Sb3\n1.0\n10.238273 0.000000 0.000000\n0.000000 10.238273 0.000000\n0.000000 0.000000 40.888291\nHo Cu Sb\n2 1 3\ndirect\n0.500000 0.500000 0.243911 Ho\n0.500000 0.500000 0.756089 Ho\n0.500000 0.500000 0.500000 Cu\n0.500000 0.500000 0.691911 Sb\n0.500000 0.500000 0.308089 Sb\n0.500000 0.500000 0.000000 Sb\n",
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"density": 0.2939403207653395,
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"volume": 4286.002007983266,
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"updated_at": "2021-11-28T01:37:03.348000Z",
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}
]
}