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{
"id": "mp-973740",
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"structure_string": "Ba1 Ce1\n1.0\n1.958947 -3.392996 0.000000\n1.958947 3.392996 0.000000\n0.000000 0.000000 6.619631\nBa Ce\n1 1\ndirect\n0.000000 0.000000 0.500000 Ba\n0.666667 0.333333 0.000000 Ce\n",
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{
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"structure_string": "In1 Sb1\n1.0\n0.000000 3.073513 3.073513\n3.073513 0.000000 3.073513\n3.073513 3.073513 0.000000\nIn Sb\n1 1\ndirect\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 Sb\n",
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"spacegroup": 225
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{
"id": "mp-1187110",
"created_at": "2022-09-04T14:44:24.165718Z",
"structure_string": "Sr3 Ca1\n1.0\n-2.957993 2.957993 5.886483\n2.957993 -2.957993 5.886483\n2.957993 2.957993 -5.886483\nSr Ca\n3 1\ndirect\n0.750000 0.250000 0.500000 Sr\n0.250000 0.750000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n0.000000 0.000000 0.000000 Ca\n",
"nsites": 4,
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"elements": [
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"formula_full": "Sr3 Ca1",
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"spacegroup": 139
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{
"id": "mp-1039167",
"created_at": "2022-09-04T14:43:04.869163Z",
"structure_string": "Ca2 Mg2\n1.0\n3.692641 0.000000 0.000000\n0.000000 5.809565 0.000000\n0.000000 0.000000 5.989297\nCa Mg\n2 2\ndirect\n0.000000 0.000000 0.093221 Ca\n0.500000 0.500000 0.906779 Ca\n0.500000 0.000000 0.584969 Mg\n0.000000 0.500000 0.415031 Mg\n",
"nsites": 4,
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"density": 1.664154908159112,
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"volume": 128.4862198834268,
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"formula_full": "Ca2 Mg2",
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{
"id": "mp-1187105",
"created_at": "2022-09-04T14:40:39.046896Z",
"structure_string": "Sr3 Ca1\n1.0\n5.879216 0.000000 0.000000\n0.000000 5.879216 0.000000\n0.000000 0.000000 5.879216\nSr Ca\n3 1\ndirect\n0.000000 0.500000 0.500000 Sr\n0.500000 0.000000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n0.000000 0.000000 0.000000 Ca\n",
"nsites": 4,
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"chemical_system": "Ca-Sr",
"density": 2.4753955306475275,
"density_atomic": 0.019683473618213508,
"volume": 203.21616385325,
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"updated_at": "2021-11-28T01:35:04.760000Z",
"spacegroup": 221
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{
"id": "mp-1212332",
"created_at": "2022-09-04T14:39:41.880222Z",
"structure_string": "In1 Sb2\n1.0\n15.710309 0.000000 0.000000\n0.000000 16.547481 0.000000\n0.000000 0.000000 16.636454\nIn Sb\n1 2\ndirect\n0.500000 0.000000 0.500000 In\n0.500000 0.837010 0.500000 Sb\n0.500000 0.162990 0.500000 Sb\n",
"nsites": 3,
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"elements": [
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"density": 0.13758293859148263,
"density_atomic": 0.0006936555620604051,
"volume": 4324.913060725596,
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"formula_full": "In1 Sb2",
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"band_gap": 0.0026999999999999,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:36.181000Z",
"spacegroup": 47
},
{
"id": "mp-1183458",
"created_at": "2022-09-04T14:42:45.324620Z",
"structure_string": "Ca2 Cd1 Hg1\n1.0\n0.000000 3.831044 3.831044\n3.831044 0.000000 3.831044\n3.831044 3.831044 0.000000\nCa Cd Hg\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Ca\n0.250000 0.250000 0.250000 Ca\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 4,
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"elements": [
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"Cd",
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],
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"density": 5.805420664888019,
"density_atomic": 0.035569566790925995,
"volume": 112.45568503860505,
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"formula_full": "Ca2 Cd1 Hg1",
"formula_reduced": "Ca2CdHg",
"formula_anonymous": "ABC2",
"energy": -7.03693701,
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"updated_at": "2021-11-28T01:35:51.895000Z",
"spacegroup": 225
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{
"id": "mp-866194",
"created_at": "2022-09-04T14:40:19.550321Z",
"structure_string": "Li2 Mg1 Cd1\n1.0\n0.000000 3.354378 3.354378\n3.354378 0.000000 3.354378\n3.354378 3.354378 0.000000\nLi Mg Cd\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Li\n0.750000 0.750000 0.750000 Li\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Cd\n",
"nsites": 4,
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"elements": [
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"Mg",
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"density": 3.312854048491222,
"density_atomic": 0.05299000890913414,
"volume": 75.48592805219364,
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"formula_full": "Li2 Mg1 Cd1",
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"spacegroup": 225
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{
"id": "mp-1097668",
"created_at": "2022-09-04T14:39:11.044563Z",
"structure_string": "Li1 Ag2 Sb1\n1.0\n-5.334480 5.659598 8.004992\n5.334480 -5.659598 8.004992\n5.334480 5.659598 -8.004992\nLi Ag Sb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.247229 0.247229 Ag\n0.000000 0.752771 0.752771 Ag\n0.000000 0.500000 0.500000 Sb\n",
"nsites": 4,
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"volume": 966.7152489836659,
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"formula_full": "Li1 Ag2 Sb1",
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"updated_at": "2021-11-28T01:34:43.287000Z",
"spacegroup": 71
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{
"id": "mp-1094853",
"created_at": "2022-09-04T14:39:11.227328Z",
"structure_string": "Li2 Mg2\n1.0\n1.567822 -2.715548 0.000000\n1.567822 2.715548 0.000000\n0.000000 0.000000 10.178402\nLi Mg\n2 2\ndirect\n0.666667 0.333333 0.624123 Li\n0.333333 0.666667 0.375877 Li\n0.333333 0.666667 0.871644 Mg\n0.666667 0.333333 0.128356 Mg\n",
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{
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"created_at": "2022-09-04T14:39:49.390001Z",
"structure_string": "Li2 Al1 Au1\n1.0\n-5.264389 5.313405 7.426382\n5.264389 -5.313405 7.426382\n5.264389 5.313405 -7.426382\nLi Al Au\n2 1 1\ndirect\n0.265288 0.000000 0.265288 Li\n0.734712 0.000000 0.734712 Li\n0.000000 0.000000 0.000000 Al\n0.500000 0.000000 0.500000 Au\n",
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"volume": 830.91800406684,
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"formula_full": "Li2 Al1 Au1",
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"updated_at": "2021-11-28T01:34:35.591000Z",
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}