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{
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{
"id": "mp-975037",
"created_at": "2022-09-04T14:43:53.990225Z",
"structure_string": "Rb3 Ba1\n1.0\n0.000000 5.514430 5.514430\n5.514430 0.000000 5.514430\n5.514430 5.514430 0.000000\nRb Ba\n3 1\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Ba\n",
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{
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"elements": [
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"spacegroup": 225
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{
"id": "mp-1096038",
"created_at": "2022-09-04T14:46:58.421046Z",
"structure_string": "Li1 La2 Hg1\n1.0\n-5.915391 6.197638 8.378822\n5.915391 -6.197638 8.378822\n5.915391 6.197638 -8.378822\nLi La Hg\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.745184 0.000000 0.745184 La\n0.254816 0.000000 0.254816 La\n0.500000 0.000000 0.500000 Hg\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Hg-La-Li",
"density": 0.6559100744797296,
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"volume": 1228.719123835229,
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"formula_full": "Li1 La2 Hg1",
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"updated_at": "2021-11-28T01:37:46.361000Z",
"spacegroup": 71
},
{
"id": "mp-1226722",
"created_at": "2022-09-04T14:45:23.951307Z",
"structure_string": "Cd1 Te1\n1.0\n-2.999704 2.999704 1.582997\n2.999704 -2.999704 1.582997\n2.999704 2.999704 -1.582997\nCd Te\n1 1\ndirect\n0.750000 0.250000 0.500000 Cd\n0.000000 0.000000 0.000000 Te\n",
"nsites": 2,
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"elements": [
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"Te"
],
"chemical_system": "Cd-Te",
"density": 6.99492973506814,
"density_atomic": 0.03510210072492274,
"volume": 56.97664694409546,
"volume_molar": 17.156069396508332,
"formula_full": "Cd1 Te1",
"formula_reduced": "CdTe",
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"updated_at": "2021-11-28T01:37:04.606000Z",
"spacegroup": 119
},
{
"id": "mp-1096278",
"created_at": "2022-09-04T14:47:38.543073Z",
"structure_string": "Na1 Li1 Tl2\n1.0\n-6.181795 6.839335 9.206058\n6.181795 -6.839335 9.206058\n6.181795 6.839335 -9.206058\nNa Li Tl\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Li\n0.000000 0.237326 0.237326 Tl\n0.000000 0.762674 0.762674 Tl\n",
"nsites": 4,
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"elements": [
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"Li",
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"chemical_system": "Li-Na-Tl",
"density": 0.46789882436294616,
"density_atomic": 0.0025691994345445864,
"volume": 1556.9052157716342,
"volume_molar": 234.39755898387384,
"formula_full": "Na1 Li1 Tl2",
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:18.139000Z",
"spacegroup": 71
},
{
"id": "mp-1185207",
"created_at": "2022-09-04T14:42:07.418303Z",
"structure_string": "Li1 Cd1 Hg2\n1.0\n0.000000 3.502362 3.502362\n3.502362 0.000000 3.502362\n3.502362 3.502362 0.000000\nLi Cd Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Cd\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n",
"nsites": 4,
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"elements": [
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"Cd",
"Hg"
],
"chemical_system": "Cd-Hg-Li",
"density": 10.059663144273435,
"density_atomic": 0.046552916995638474,
"volume": 85.92372418627943,
"volume_molar": 12.93611904182978,
"formula_full": "Li1 Cd1 Hg2",
"formula_reduced": "LiCdHg2",
"formula_anonymous": "ABC2",
"energy": -4.25836963,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:30.672000Z",
"spacegroup": 225
},
{
"id": "mp-974959",
"created_at": "2022-09-04T14:41:27.859575Z",
"structure_string": "Rb3 Li1\n1.0\n-3.283282 3.283282 6.460627\n3.283282 -3.283282 6.460627\n3.283282 3.283282 -6.460627\nRb Li\n3 1\ndirect\n0.750000 0.250000 0.500000 Rb\n0.250000 0.750000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Li\n",
"nsites": 4,
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"elements": [
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"Li"
],
"chemical_system": "Li-Rb",
"density": 1.5697198642323973,
"density_atomic": 0.014358496295258025,
"volume": 278.58070356023444,
"volume_molar": 41.94130524648913,
"formula_full": "Rb3 Li1",
"formula_reduced": "Rb3Li",
"formula_anonymous": "AB3",
"energy": -4.25982999,
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"updated_at": "2021-11-28T01:35:14.281000Z",
"spacegroup": 139
},
{
"id": "mp-975053",
"created_at": "2022-09-04T14:43:39.706517Z",
"structure_string": "Rb3 Ba1\n1.0\n-3.371459 3.371459 7.371348\n3.371459 -3.371459 7.371348\n3.371459 3.371459 -7.371348\nRb Ba\n3 1\ndirect\n0.750000 0.250000 0.500000 Rb\n0.250000 0.750000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Ba\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Ba-Rb",
"density": 1.9507668832250251,
"density_atomic": 0.011934859756612515,
"volume": 335.15266048968846,
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"formula_full": "Rb3 Ba1",
"formula_reduced": "Rb3Ba",
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"updated_at": "2021-11-28T01:36:18.350000Z",
"spacegroup": 139
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{
"id": "mp-1095972",
"created_at": "2022-09-04T14:47:22.444443Z",
"structure_string": "Sr2 Hg1 Ge1\n1.0\n-6.410819 6.531191 9.241228\n6.410819 -6.531191 9.241228\n6.410819 6.531191 -9.241228\nSr Hg Ge\n2 1 1\ndirect\n0.000000 0.224059 0.224059 Sr\n0.000000 0.775941 0.775941 Sr\n0.000000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Ge\n",
"nsites": 4,
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"elements": [
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"density": 0.4811571208264284,
"density_atomic": 0.00258442786388782,
"volume": 1547.7313396484974,
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"formula_full": "Sr2 Hg1 Ge1",
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"updated_at": "2021-11-28T01:38:06.774000Z",
"spacegroup": 71
},
{
"id": "mp-1093602",
"created_at": "2022-09-04T14:39:59.541302Z",
"structure_string": "Ba2 Zn1 Pb1\n1.0\n-6.276325 7.189133 10.167398\n6.276325 -7.189133 10.167398\n6.276325 7.189133 -10.167398\nBa Zn Pb\n2 1 1\ndirect\n0.000000 0.252126 0.252126 Ba\n0.000000 0.747874 0.747874 Ba\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
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"density": 0.49521458440537564,
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"volume": 1835.066292112319,
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"formula_full": "Ba2 Zn1 Pb1",
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"updated_at": "2021-11-28T01:34:45.681000Z",
"spacegroup": 71
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{
"id": "mp-974938",
"created_at": "2022-09-04T14:47:18.362973Z",
"structure_string": "Rb3 Li1\n1.0\n6.545835 0.000000 0.000000\n0.000000 6.545835 0.000000\n0.000000 0.000000 6.545835\nRb Li\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 Li\n",
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"formula_full": "Rb3 Li1",
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"updated_at": "2021-11-28T01:37:59.387000Z",
"spacegroup": 221
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{
"id": "mp-1097380",
"created_at": "2022-09-04T14:47:05.734485Z",
"structure_string": "Li1 Ca2 Ag1\n1.0\n-6.266142 6.387362 8.858483\n6.266142 -6.387362 8.858483\n6.266142 6.387362 -8.858483\nLi Ca Ag\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.265457 0.000000 0.265457 Ca\n0.734543 0.000000 0.734543 Ca\n0.500000 0.000000 0.500000 Ag\n",
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"formula_full": "Li1 Ca2 Ag1",
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"updated_at": "2021-11-28T01:37:52.415000Z",
"spacegroup": 71
}
]
}