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{
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{
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{
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"created_at": "2022-09-04T14:39:08.394531Z",
"structure_string": "Rb3 Cd1\n1.0\n6.312502 0.000000 0.000000\n0.000000 6.312502 0.000000\n0.000000 0.000000 6.312502\nRb Cd\n3 1\ndirect\n0.000000 0.500000 0.500000 Rb\n0.500000 0.000000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Cd\n",
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"updated_at": "2021-11-28T01:34:41.218000Z",
"spacegroup": 221
},
{
"id": "mp-1096688",
"created_at": "2022-09-04T14:48:13.485887Z",
"structure_string": "Ba2 Li1 Tl1\n1.0\n-6.936571 7.176227 10.142471\n6.936571 -7.176227 10.142471\n6.936571 7.176227 -10.142471\nBa Li Tl\n2 1 1\ndirect\n0.000000 0.260079 0.260079 Ba\n0.000000 0.739921 0.739921 Ba\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Tl\n",
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"elements": [
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"formula_full": "Ba2 Li1 Tl1",
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},
{
"id": "mp-998860",
"created_at": "2022-09-04T14:40:16.796831Z",
"structure_string": "Al1\n1.0\n-1.610250 1.610250 1.610250\n1.610250 -1.610250 1.610250\n1.610250 1.610250 -1.610250\nAl\n1\ndirect\n0.000000 0.000000 0.000000 Al\n",
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},
{
"id": "mp-571292",
"created_at": "2022-09-04T14:40:26.833428Z",
"structure_string": "Zn1 I2\n1.0\n2.790365 -4.833053 0.000000\n2.790365 4.833053 0.000000\n0.000000 0.000000 4.187822\nZn I\n1 2\ndirect\n0.000000 0.000000 0.000000 Zn\n0.333333 0.666667 0.500000 I\n0.666667 0.333333 0.500000 I\n",
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"elements": [
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"chemical_system": "I-Zn",
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"spacegroup": 191
},
{
"id": "mp-1182980",
"created_at": "2022-09-04T14:45:58.000667Z",
"structure_string": "Ag1 I1\n1.0\n5.179415 -8.971011 0.000000\n5.179415 8.971011 0.000000\n0.000000 0.000000 7.883519\nAg I\n1 1\ndirect\n0.000000 0.000000 0.997507 Ag\n0.000000 0.000000 0.672493 I\n",
"nsites": 2,
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"elements": [
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"chemical_system": "Ag-I",
"density": 0.5321381835694491,
"density_atomic": 0.0027299694179338564,
"volume": 732.608939448734,
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"formula_full": "Ag1 I1",
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"energy": -3.65522895,
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"total_magnetization": 2.62e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:11.890000Z",
"spacegroup": 183
},
{
"id": "mp-1183987",
"created_at": "2022-09-04T14:44:26.490813Z",
"structure_string": "Ga1 Hg3\n1.0\n0.000000 3.690323 3.690323\n3.690323 0.000000 3.690323\n3.690323 3.690323 0.000000\nGa Hg\n1 3\ndirect\n0.000000 0.000000 0.000000 Ga\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n0.500000 0.500000 0.500000 Hg\n",
"nsites": 4,
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"elements": [
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"Hg"
],
"chemical_system": "Ga-Hg",
"density": 11.09347097936096,
"density_atomic": 0.03979576482719768,
"volume": 100.51320831171144,
"volume_molar": 15.132617217308205,
"formula_full": "Ga1 Hg3",
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"formula_anonymous": "AB3",
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"updated_at": "2021-11-28T01:36:34.639000Z",
"spacegroup": 225
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{
"id": "mp-22692",
"created_at": "2022-09-04T14:45:20.247751Z",
"structure_string": "Pb1\n1.0\n-2.002209 2.002209 2.002209\n2.002209 -2.002209 2.002209\n2.002209 2.002209 -2.002209\nPb\n1\ndirect\n0.000000 0.000000 0.000000 Pb\n",
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"volume": 32.10614915546086,
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"formula_full": "Pb1",
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"formula_anonymous": "A",
"energy": -3.66510887,
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"updated_at": "2021-11-28T01:36:53.844000Z",
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{
"id": "mp-1184016",
"created_at": "2022-09-04T14:44:28.226555Z",
"structure_string": "Cs1 Rb3\n1.0\n-3.550546 3.550546 7.697478\n3.550546 -3.550546 7.697478\n3.550546 3.550546 -7.697478\nCs Rb\n1 3\ndirect\n0.000000 0.000000 0.000000 Cs\n0.750000 0.250000 0.500000 Rb\n0.250000 0.750000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n",
"nsites": 4,
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"volume": 388.1492353318247,
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"formula_full": "Cs1 Rb3",
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"updated_at": "2021-11-28T01:36:38.345000Z",
"spacegroup": 139
},
{
"id": "mp-1184013",
"created_at": "2022-09-04T14:41:31.293240Z",
"structure_string": "Ga1 Hg3\n1.0\n-2.264290 2.264290 4.993795\n2.264290 -2.264290 4.993795\n2.264290 2.264290 -4.993795\nGa Hg\n1 3\ndirect\n0.000000 0.000000 0.000000 Ga\n0.750000 0.250000 0.500000 Hg\n0.250000 0.750000 0.500000 Hg\n0.500000 0.500000 0.000000 Hg\n",
"nsites": 4,
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"density": 10.8876910444002,
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"volume": 102.41293171355423,
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{
"id": "mp-1093890",
"created_at": "2022-09-04T14:39:08.056701Z",
"structure_string": "Li2 Tl1 Cd1\n1.0\n-5.758943 5.879143 8.366931\n5.758943 -5.879143 8.366931\n5.758943 5.879143 -8.366931\nLi Tl Cd\n2 1 1\ndirect\n0.000000 0.251342 0.251342 Li\n0.000000 0.748658 0.748658 Li\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Cd\n",
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"volume": 1133.1384662730727,
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"formula_full": "Li2 Tl1 Cd1",
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"updated_at": "2021-11-28T01:34:26.208000Z",
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]
}