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{
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"results": [
{
"id": "mp-1096442",
"created_at": "2022-09-04T14:42:07.521892Z",
"structure_string": "Li2 Zn1 Ga1\n1.0\n-5.316634 5.462811 7.484779\n5.316634 -5.462811 7.484779\n5.316634 5.462811 -7.484779\nLi Zn Ga\n2 1 1\ndirect\n0.749294 0.000000 0.749294 Li\n0.250706 0.000000 0.250706 Li\n0.000000 0.000000 0.000000 Zn\n0.500000 0.000000 0.500000 Ga\n",
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"density": 0.28456681801197253,
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"volume": 869.5447002535684,
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"formula_full": "Li2 Zn1 Ga1",
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{
"id": "mp-975204",
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"structure_string": "Rb2\n1.0\n2.505664 -4.451718 0.000000\n2.505664 4.451718 0.000000\n0.000000 0.000000 8.184475\nRb\n2\ndirect\n0.839840 0.160160 0.250000 Rb\n0.160160 0.839840 0.750000 Rb\n",
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"updated_at": "2021-11-28T01:35:05.617000Z",
"spacegroup": 63
},
{
"id": "mp-1186819",
"created_at": "2022-09-04T14:39:48.209360Z",
"structure_string": "Rb4 Mg2\n1.0\n2.226736 9.713351 0.000000\n-2.226736 9.713351 0.000000\n0.000000 2.322908 8.675127\nRb Mg\n4 2\ndirect\n0.880628 0.880628 0.561835 Rb\n0.119372 0.119372 0.438165 Rb\n0.842923 0.842923 0.092759 Rb\n0.157077 0.157077 0.907241 Rb\n0.497669 0.497669 0.824409 Mg\n0.502331 0.502331 0.175591 Mg\n",
"nsites": 6,
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"elements": [
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],
"chemical_system": "Mg-Rb",
"density": 1.7278481670040944,
"density_atomic": 0.015988495544270773,
"volume": 375.269829696391,
"volume_molar": 37.66546229021491,
"formula_full": "Rb4 Mg2",
"formula_reduced": "Rb2Mg",
"formula_anonymous": "AB2",
"energy": -5.81184339,
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"energy_uncorrected": -5.81184339,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:25.801000Z",
"spacegroup": 12
},
{
"id": "mp-1183953",
"created_at": "2022-09-04T14:43:08.458037Z",
"structure_string": "Cs1 K1 Rb2\n1.0\n0.000000 5.693600 5.693600\n5.693600 0.000000 5.693600\n5.693600 5.693600 0.000000\nCs K Rb\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Cs\n0.000000 0.000000 0.000000 K\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n",
"nsites": 4,
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"elements": [
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"K",
"Rb"
],
"chemical_system": "Cs-K-Rb",
"density": 1.5426789945505686,
"density_atomic": 0.010836003514228724,
"volume": 369.139784307712,
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"formula_full": "Cs1 K1 Rb2",
"formula_reduced": "CsKRb2",
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"energy": -3.8672623,
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"energy_uncorrected": -3.8672623,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:04.617000Z",
"spacegroup": 225
},
{
"id": "mp-974981",
"created_at": "2022-09-04T14:41:12.912628Z",
"structure_string": "Rb3 Mg1\n1.0\n-2.517592 3.711235 7.282531\n2.517592 -3.711235 7.282531\n2.517592 3.711235 -7.282531\nRb Mg\n3 1\ndirect\n0.759484 0.708633 0.050851 Rb\n0.090383 0.500000 0.590383 Rb\n0.342219 0.291367 0.050851 Rb\n0.641244 0.000000 0.641244 Mg\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Mg-Rb",
"density": 1.7126095749447197,
"density_atomic": 0.014696497761812649,
"volume": 272.1736882370433,
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"formula_full": "Rb3 Mg1",
"formula_reduced": "Rb3Mg",
"formula_anonymous": "AB3",
"energy": -3.8616348,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:16.112000Z",
"spacegroup": 44
},
{
"id": "mp-12628",
"created_at": "2022-09-04T14:45:54.824065Z",
"structure_string": "Rb1\n1.0\n0.000000 3.568601 3.568601\n3.568601 0.000000 3.568601\n3.568601 3.568601 0.000000\nRb\n1\ndirect\n0.000000 0.000000 0.000000 Rb\n",
"nsites": 1,
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"elements": [
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"density_atomic": 0.011002111090589649,
"volume": 90.89164722716919,
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"formula_full": "Rb1",
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:11.586000Z",
"spacegroup": 225
},
{
"id": "mp-983365",
"created_at": "2022-09-04T14:44:56.779844Z",
"structure_string": "K3 Hg1\n1.0\n-2.942159 2.942159 5.946657\n2.942159 -2.942159 5.946657\n2.942159 2.942159 -5.946657\nK Hg\n3 1\ndirect\n0.750000 0.250000 0.500000 K\n0.250000 0.750000 0.500000 K\n0.500000 0.500000 0.000000 K\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 4,
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"elements": [
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"Hg"
],
"chemical_system": "Hg-K",
"density": 2.5636210992340356,
"density_atomic": 0.019426512074311803,
"volume": 205.90417799648694,
"volume_molar": 30.99959857417348,
"formula_full": "K3 Hg1",
"formula_reduced": "K3Hg",
"formula_anonymous": "AB3",
"energy": -3.86031069,
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"total_magnetization": 0.0390885,
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"updated_at": "2021-11-28T01:36:46.473000Z",
"spacegroup": 139
},
{
"id": "mp-639755",
"created_at": "2022-09-04T14:39:38.685598Z",
"structure_string": "Rb1\n1.0\n-2.918119 2.918119 2.651043\n2.918119 -2.918119 2.651043\n2.918119 2.918119 -2.651043\nRb\n1\ndirect\n0.000000 0.000000 0.000000 Rb\n",
"nsites": 1,
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"elements": [
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"volume": 90.29896240648092,
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"formula_full": "Rb1",
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"updated_at": "2021-11-28T01:34:26.508000Z",
"spacegroup": 139
},
{
"id": "mp-1713",
"created_at": "2022-09-04T14:40:44.125218Z",
"structure_string": "Cs2 Cd26\n1.0\n0.000000 7.104386 7.104386\n7.104386 0.000000 7.104386\n7.104386 7.104386 0.000000\nCs Cd\n2 26\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Cd\n0.441211 0.199195 0.800805 Cd\n0.941211 0.699195 0.058789 Cd\n0.699195 0.941211 0.300805 Cd\n0.300805 0.699195 0.941211 Cd\n0.941211 0.058789 0.300805 Cd\n0.699195 0.058789 0.941211 Cd\n0.300805 0.941211 0.058789 Cd\n0.800805 0.441211 0.199195 Cd\n0.199195 0.800805 0.441211 Cd\n0.441211 0.558789 0.199195 Cd\n0.441211 0.800805 0.558789 Cd\n0.199195 0.558789 0.800805 Cd\n0.558789 0.441211 0.800805 Cd\n0.558789 0.199195 0.441211 Cd\n0.800805 0.199195 0.558789 Cd\n0.058789 0.941211 0.699195 Cd\n0.058789 0.300805 0.941211 Cd\n0.941211 0.300805 0.699195 Cd\n0.058789 0.699195 0.300805 Cd\n0.300805 0.058789 0.699195 Cd\n0.699195 0.300805 0.058789 Cd\n0.199195 0.441211 0.558789 Cd\n0.800805 0.558789 0.441211 Cd\n0.558789 0.800805 0.199195 Cd\n",
"nsites": 28,
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"elements": [
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],
"chemical_system": "Cd-Cs",
"density": 7.382873923324317,
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"volume": 717.1494092247765,
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"formula_full": "Cs2 Cd26",
"formula_reduced": "CsCd13",
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"updated_at": "2021-11-28T01:35:07.775000Z",
"spacegroup": 226
},
{
"id": "mp-975519",
"created_at": "2022-09-04T14:39:18.207240Z",
"structure_string": "Rb1\n1.0\n-2.468885 2.468885 3.730519\n2.468885 -2.468885 3.730519\n2.468885 2.468885 -3.730519\nRb\n1\ndirect\n0.000000 0.000000 0.000000 Rb\n",
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"formula_full": "Rb1",
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{
"id": "mp-1093935",
"created_at": "2022-09-04T14:41:19.900384Z",
"structure_string": "Sr2 Tl1 Ga1\n1.0\n-6.441521 7.022453 9.867292\n6.441521 -7.022453 9.867292\n6.441521 7.022453 -9.867292\nSr Tl Ga\n2 1 1\ndirect\n0.000000 0.238828 0.238828 Sr\n0.000000 0.761172 0.761172 Sr\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 4,
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],
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"volume": 1785.398805499195,
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"formula_full": "Sr2 Tl1 Ga1",
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"updated_at": "2021-11-28T01:35:18.415000Z",
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{
"id": "mp-1398032",
"created_at": "2022-09-04T14:44:29.316516Z",
"structure_string": "Sc1 N3 F6\n1.0\n6.495050 0.000000 0.000000\n-2.268629 6.126092 0.000000\n-1.783624 -3.113293 5.461797\nSc N F\n1 3 6\ndirect\n0.877612 0.994809 0.135569 Sc\n0.951334 0.527159 0.503189 N\n0.487716 0.262737 0.259439 N\n0.483462 0.758236 0.774755 N\n0.690601 0.376227 0.623363 F\n0.951350 0.214416 0.260001 F\n0.999365 0.738767 0.263080 F\n0.978312 0.654770 0.629232 F\n0.053153 0.176924 0.793258 F\n0.527095 0.795956 0.258113 F\n",
"nsites": 10,
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"elements": [
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"density": 1.5355750597792401,
"density_atomic": 0.04601489465436514,
"volume": 217.32093651661472,
"volume_molar": 13.08737269798078,
"formula_full": "Sc1 N3 F6",
"formula_reduced": "Sc(NF2)3",
"formula_anonymous": "AB3C6",
"energy": -9.61900167,
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"updated_at": "2021-11-28T01:36:34.813000Z",
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}
]
}