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"results": [
{
"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",
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{
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},
{
"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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"density": 1.9507668832250251,
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"volume": 335.15266048968846,
"volume_molar": 50.45841243893486,
"formula_full": "Rb3 Ba1",
"formula_reduced": "Rb3Ba",
"formula_anonymous": "AB3",
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:18.350000Z",
"spacegroup": 139
},
{
"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,
"nelements": 2,
"elements": [
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],
"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",
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:14.281000Z",
"spacegroup": 139
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{
"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",
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],
"chemical_system": "Cd-Hg-Li",
"density": 10.059663144273435,
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"volume": 85.92372418627943,
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"formula_full": "Li1 Cd1 Hg2",
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"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:30.672000Z",
"spacegroup": 225
},
{
"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",
"Tl"
],
"chemical_system": "Li-Na-Tl",
"density": 0.46789882436294616,
"density_atomic": 0.0025691994345445864,
"volume": 1556.9052157716342,
"volume_molar": 234.39755898387384,
"formula_full": "Na1 Li1 Tl2",
"formula_reduced": "NaLiTl2",
"formula_anonymous": "ABC2",
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"total_magnetization": 9.3e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:18.139000Z",
"spacegroup": 71
},
{
"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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"La",
"Hg"
],
"chemical_system": "Hg-La-Li",
"density": 0.6559100744797296,
"density_atomic": 0.0032554225961053725,
"volume": 1228.719123835229,
"volume_molar": 184.9879879559905,
"formula_full": "Li1 La2 Hg1",
"formula_reduced": "LiLa2Hg",
"formula_anonymous": "ABC2",
"energy": -4.2531831,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:46.361000Z",
"spacegroup": 71
},
{
"id": "mp-1185057",
"created_at": "2022-09-04T14:40:30.074780Z",
"structure_string": "K3 Yb1\n1.0\n0.000000 5.089460 5.089460\n5.089460 0.000000 5.089460\n5.089460 5.089460 0.000000\nK Yb\n3 1\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Yb\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "K-Yb",
"density": 1.828534796655681,
"density_atomic": 0.015171023440618256,
"volume": 263.66052466114905,
"volume_molar": 39.69501980912227,
"formula_full": "K3 Yb1",
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"formula_anonymous": "AB3",
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:04.740000Z",
"spacegroup": 225
},
{
"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",
"nsites": 4,
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"elements": [
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"density": 1.9494682449734304,
"density_atomic": 0.011926914642544487,
"volume": 335.3759224310706,
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"formula_full": "Rb3 Ba1",
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"updated_at": "2021-11-28T01:36:26.455000Z",
"spacegroup": 225
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{
"id": "mp-1093659",
"created_at": "2022-09-04T14:39:13.755492Z",
"structure_string": "Ca2 Al1 Tl1\n1.0\n-6.144115 6.691737 9.544502\n6.144115 -6.691737 9.544502\n6.144115 6.691737 -9.544502\nCa Al Tl\n2 1 1\ndirect\n0.000000 0.242329 0.242329 Ca\n0.000000 0.757671 0.757671 Ca\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 Tl\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Al-Ca-Tl",
"density": 0.32955259547917376,
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"volume": 1569.6812273717437,
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"formula_full": "Ca2 Al1 Tl1",
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"updated_at": "2021-11-28T01:34:33.585000Z",
"spacegroup": 71
},
{
"id": "mp-1185090",
"created_at": "2022-09-04T14:46:52.040991Z",
"structure_string": "K3 Rb1\n1.0\n0.000000 5.415650 5.415650\n5.415650 0.000000 5.415650\n5.415650 5.415650 0.000000\nK Rb\n3 1\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Rb\n",
"nsites": 4,
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"volume": 317.6740671550743,
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"updated_at": "2021-11-28T01:37:43.512000Z",
"spacegroup": 225
},
{
"id": "mp-1096726",
"created_at": "2022-09-04T14:42:19.617879Z",
"structure_string": "Ba1 Na2 Sn1\n1.0\n-6.894444 7.237143 10.015856\n6.894444 -7.237143 10.015856\n6.894444 7.237143 -10.015856\nBa Na Sn\n1 2 1\ndirect\n0.000000 0.500000 0.500000 Ba\n0.000000 0.216022 0.216022 Na\n0.000000 0.783978 0.783978 Na\n0.000000 0.000000 0.000000 Sn\n",
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"volume": 1999.0076941357943,
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"formula_full": "Ba1 Na2 Sn1",
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"formula_anonymous": "ABC2",
"energy": -4.23691662,
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"updated_at": "2021-11-28T01:35:45.633000Z",
"spacegroup": 71
}
]
}