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{
"id": "mp-862965",
"created_at": "2022-09-04T14:39:22.556993Z",
"structure_string": "Pm1 Tl1 Au2\n1.0\n0.000000 3.601780 3.601780\n3.601780 0.000000 3.601780\n3.601780 3.601780 0.000000\nPm Tl Au\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Pm\n0.000000 0.000000 0.000000 Tl\n0.250000 0.250000 0.250000 Au\n0.750000 0.750000 0.750000 Au\n",
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{
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{
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"structure_string": "Ca1 Ga4\n1.0\n3.091929 3.107029 0.000000\n-3.091929 3.107029 0.000000\n0.000000 3.004955 5.397958\nCa Ga\n1 4\ndirect\n0.000000 0.000000 0.000000 Ca\n0.597954 0.597954 0.770056 Ga\n0.402046 0.402046 0.229944 Ga\n0.764974 0.235026 0.500000 Ga\n0.235026 0.764974 0.500000 Ga\n",
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"formula_full": "Ca1 Ga4",
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"updated_at": "2021-11-28T01:36:45.257000Z",
"spacegroup": 12
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{
"id": "mp-1223814",
"created_at": "2022-09-04T14:46:00.592816Z",
"structure_string": "Ho1 Cu1 Si1\n1.0\n2.022307 -3.502739 0.000000\n2.022307 3.502739 0.000000\n0.000000 0.000000 3.992124\nHo Cu Si\n1 1 1\ndirect\n0.333333 0.666667 0.000000 Ho\n0.666667 0.333333 0.500000 Cu\n0.000000 0.000000 0.500000 Si\n",
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"chemical_system": "Cu-Ho-Si",
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"updated_at": "2021-11-28T01:37:14.122000Z",
"spacegroup": 187
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{
"id": "mp-1228993",
"created_at": "2022-09-04T14:48:09.785968Z",
"structure_string": "Ag1 Sb1 Se1 S1\n1.0\n3.953368 0.000000 0.000000\n0.000000 3.953368 0.000000\n0.000000 0.000000 5.781907\nAg Sb Se S\n1 1 1 1\ndirect\n0.000000 0.000000 0.000000 Ag\n0.500000 0.500000 0.500000 Sb\n0.500000 0.500000 0.000000 Se\n0.000000 0.000000 0.500000 S\n",
"nsites": 4,
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"elements": [
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"density": 6.259735506212973,
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"updated_at": "2021-11-28T01:38:24.573000Z",
"spacegroup": 123
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{
"id": "mp-569843",
"created_at": "2022-09-04T14:43:20.960105Z",
"structure_string": "Mn1 Br2\n1.0\n6.808551 -1.939080 0.000000\n6.808551 1.939080 0.000000\n6.256300 0.000000 3.312871\nMn Br\n1 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.741869 0.741869 0.741869 Br\n0.258131 0.258131 0.258131 Br\n",
"nsites": 3,
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"elements": [
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"Br"
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"chemical_system": "Br-Mn",
"density": 4.076517666758473,
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"volume": 87.47519973435922,
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"formula_full": "Mn1 Br2",
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"updated_at": "2021-11-28T01:36:10.375000Z",
"spacegroup": 166
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{
"id": "mp-570286",
"created_at": "2022-09-04T14:46:54.168173Z",
"structure_string": "Bi2 Se2\n1.0\n-2.117699 2.117699 12.699178\n2.117699 -2.117699 12.699178\n2.117699 2.117699 -12.699178\nBi Se\n2 2\ndirect\n0.684090 0.684090 0.000000 Bi\n0.315910 0.315910 0.000000 Bi\n0.800392 0.800392 0.000000 Se\n0.199608 0.199608 0.000000 Se\n",
"nsites": 4,
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"elements": [
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"density": 4.197760259783184,
"density_atomic": 0.017558844239908368,
"volume": 227.80542644763926,
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"formula_full": "Bi2 Se2",
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"energy": -15.935100380000002,
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"updated_at": "2021-11-28T01:37:42.867000Z",
"spacegroup": 139
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{
"id": "mp-1096207",
"created_at": "2022-09-04T14:40:00.900954Z",
"structure_string": "Al1 Fe2 Ge1\n1.0\n-4.697955 5.394012 7.644734\n4.697955 -5.394012 7.644734\n4.697955 5.394012 -7.644734\nAl Fe Ge\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Al\n0.000000 0.254994 0.254994 Fe\n0.000000 0.745006 0.745006 Fe\n0.000000 0.500000 0.500000 Ge\n",
"nsites": 4,
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"elements": [
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"Fe",
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"density": 0.45282373118628316,
"density_atomic": 0.005161986454088657,
"volume": 774.89548559968,
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"formula_full": "Al1 Fe2 Ge1",
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"spacegroup": 71
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{
"id": "mp-1225494",
"created_at": "2022-09-04T14:41:08.364592Z",
"structure_string": "Er1 Cu1 Si1\n1.0\n2.056711 -3.562329 0.000000\n2.056711 3.562329 0.000000\n0.000000 0.000000 3.682807\nEr Cu Si\n1 1 1\ndirect\n0.666667 0.333333 0.000000 Er\n0.000000 0.000000 0.500000 Cu\n0.333333 0.666667 0.500000 Si\n",
"nsites": 3,
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"density": 7.966158788623765,
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"formula_full": "Er1 Cu1 Si1",
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"spacegroup": 187
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{
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"created_at": "2022-09-04T14:40:24.948526Z",
"structure_string": "Th1 P1\n1.0\n0.000000 2.928603 2.928603\n2.928603 0.000000 2.928603\n2.928603 2.928603 0.000000\nTh P\n1 1\ndirect\n0.500000 0.500000 0.500000 Th\n0.000000 0.000000 0.000000 P\n",
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{
"id": "mp-1120770",
"created_at": "2022-09-04T14:40:02.822168Z",
"structure_string": "Tl2 Cl3\n1.0\n9.123047 -2.292175 0.000000\n9.123047 2.292175 0.000000\n8.547136 0.000000 3.928170\nTl Cl\n2 3\ndirect\n0.598609 0.598609 0.598609 Tl\n0.401391 0.401391 0.401391 Tl\n0.000000 0.000000 0.000000 Cl\n0.219561 0.219561 0.219561 Cl\n0.780439 0.780439 0.780439 Cl\n",
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{
"id": "mp-1229011",
"created_at": "2022-09-04T14:41:01.352645Z",
"structure_string": "Ag1 Sn1 Se2\n1.0\n6.733192 -2.029901 0.000000\n6.733192 2.029901 0.000000\n6.121224 0.000000 3.462224\nAg Sn Se\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ag\n0.500000 0.500000 0.500000 Sn\n0.251816 0.251816 0.251816 Se\n0.748184 0.748184 0.748184 Se\n",
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"updated_at": "2021-11-28T01:35:12.258000Z",
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]
}