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{
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"results": [
{
"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",
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{
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"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",
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},
{
"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,
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"volume": 272.1736882370433,
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"formula_full": "Rb3 Mg1",
"formula_reduced": "Rb3Mg",
"formula_anonymous": "AB3",
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"band_gap": 0.0,
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"total_magnetization": 0.0044425,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:16.112000Z",
"spacegroup": 44
},
{
"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,
"nelements": 3,
"elements": [
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"K",
"Rb"
],
"chemical_system": "Cs-K-Rb",
"density": 1.5426789945505686,
"density_atomic": 0.010836003514228724,
"volume": 369.139784307712,
"volume_molar": 55.57529353042701,
"formula_full": "Cs1 K1 Rb2",
"formula_reduced": "CsKRb2",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:36:04.617000Z",
"spacegroup": 225
},
{
"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,
"nelements": 2,
"elements": [
"Rb",
"Mg"
],
"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",
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"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:25.801000Z",
"spacegroup": 12
},
{
"id": "mp-975204",
"created_at": "2022-09-04T14:40:40.967739Z",
"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",
"nsites": 2,
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"elements": [
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"density": 1.554570124248827,
"density_atomic": 0.01095364583240984,
"volume": 182.58760878340294,
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"formula_full": "Rb2",
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"total_magnetization": 0.0221897,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:05.617000Z",
"spacegroup": 63
},
{
"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",
"nsites": 4,
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"elements": [
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"Zn",
"Ga"
],
"chemical_system": "Ga-Li-Zn",
"density": 0.28456681801197253,
"density_atomic": 0.004600108538219551,
"volume": 869.5447002535684,
"volume_molar": 130.9130145509749,
"formula_full": "Li2 Zn1 Ga1",
"formula_reduced": "Li2ZnGa",
"formula_anonymous": "ABC2",
"energy": -3.87591088,
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"updated_at": "2021-11-28T01:35:32.146000Z",
"spacegroup": 71
},
{
"id": "mp-983388",
"created_at": "2022-09-04T14:40:54.270910Z",
"structure_string": "K3 Hg1\n1.0\n0.000000 4.673705 4.673705\n4.673705 0.000000 4.673705\n4.673705 4.673705 0.000000\nK Hg\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 Hg\n",
"nsites": 4,
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"elements": [
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"Hg"
],
"chemical_system": "Hg-K",
"density": 2.585265261913387,
"density_atomic": 0.0195905264006701,
"volume": 204.18032257995776,
"volume_molar": 30.7400660749678,
"formula_full": "K3 Hg1",
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"formula_anonymous": "AB3",
"energy": -3.87768566,
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"updated_at": "2021-11-28T01:35:23.864000Z",
"spacegroup": 225
},
{
"id": "mp-1096408",
"created_at": "2022-09-04T14:40:04.972645Z",
"structure_string": "Li2 Mg1 Ga1\n1.0\n-5.654088 5.769143 7.853717\n5.654088 -5.769143 7.853717\n5.654088 5.769143 -7.853717\nLi Mg Ga\n2 1 1\ndirect\n0.262825 0.000000 0.262825 Li\n0.737175 0.000000 0.737175 Li\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Ga\n",
"nsites": 4,
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"elements": [
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"Ga"
],
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"density": 0.1748645132233259,
"density_atomic": 0.003903470347228855,
"volume": 1024.7291881798649,
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"formula_full": "Li2 Mg1 Ga1",
"formula_reduced": "Li2MgGa",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:34:47.326000Z",
"spacegroup": 71
},
{
"id": "mp-1096001",
"created_at": "2022-09-04T14:42:47.317468Z",
"structure_string": "Li2 Cd1 Ga1\n1.0\n-5.395811 5.635955 7.893240\n5.395811 -5.635955 7.893240\n5.395811 5.635955 -7.893240\nLi Cd Ga\n2 1 1\ndirect\n0.239963 0.000000 0.239963 Li\n0.760037 0.000000 0.760037 Li\n0.500000 0.000000 0.500000 Cd\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 4,
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"elements": [
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],
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"density": 0.3390010743749378,
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"volume": 960.1510150928569,
"volume_molar": 144.55411409365172,
"formula_full": "Li2 Cd1 Ga1",
"formula_reduced": "Li2CdGa",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:35:50.016000Z",
"spacegroup": 71
},
{
"id": "mp-975129",
"created_at": "2022-09-04T14:39:09.466263Z",
"structure_string": "Rb2\n1.0\n2.525341 -4.374019 0.000000\n2.525341 4.374019 0.000000\n0.000000 0.000000 8.192657\nRb\n2\ndirect\n0.333333 0.666667 0.250000 Rb\n0.666667 0.333333 0.750000 Rb\n",
"nsites": 2,
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"spacegroup": 194
},
{
"id": "mp-998861",
"created_at": "2022-09-04T14:45:58.407954Z",
"structure_string": "Br1\n1.0\n0.000000 2.362556 2.362556\n2.362556 0.000000 2.362556\n2.362556 2.362556 0.000000\nBr\n1\ndirect\n0.000000 0.000000 0.000000 Br\n",
"nsites": 1,
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"updated_at": "2021-11-28T01:37:08.184000Z",
"spacegroup": 225
}
]
}