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{
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"results": [
{
"id": "mp-1111739",
"created_at": "2022-09-04T14:40:39.954940Z",
"structure_string": "Na2 Li1 Bi1 Br6\n1.0\n0.000000 5.538814 5.538814\n5.538814 0.000000 5.538814\n5.538814 5.538814 0.000000\nNa Li Bi Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Bi\n0.743116 0.256884 0.256884 Br\n0.256884 0.256884 0.743116 Br\n0.256884 0.743116 0.743116 Br\n0.256884 0.743116 0.256884 Br\n0.743116 0.256884 0.743116 Br\n0.743116 0.743116 0.256884 Br\n",
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"spacegroup": 225
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{
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"structure_string": "Si2 Au6\n1.0\n2.918134 -5.054357 0.000000\n2.918134 5.054357 0.000000\n0.000000 0.000000 4.739346\nSi Au\n2 6\ndirect\n0.333333 0.666667 0.750000 Si\n0.666667 0.333333 0.250000 Si\n0.169183 0.338367 0.250000 Au\n0.661633 0.830817 0.250000 Au\n0.169183 0.830817 0.250000 Au\n0.830817 0.661633 0.750000 Au\n0.338367 0.169183 0.750000 Au\n0.830817 0.169183 0.750000 Au\n",
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"volume": 139.80398670062337,
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"formula_full": "Si2 Au6",
"formula_reduced": "SiAu3",
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"updated_at": "2021-11-28T01:34:33.599000Z",
"spacegroup": 194
},
{
"id": "mp-1221979",
"created_at": "2022-09-04T14:45:14.702800Z",
"structure_string": "Mn1 In2 Te4\n1.0\n-3.155621 3.155621 6.274183\n3.155621 -3.155621 6.274183\n3.155621 3.155621 -6.274183\nMn In Te\n1 2 4\ndirect\n0.750000 0.250000 0.500000 Mn\n0.000000 0.000000 0.000000 In\n0.250000 0.750000 0.500000 In\n0.835425 0.383545 0.985058 Te\n0.398487 0.850367 0.014942 Te\n0.149633 0.164575 0.548120 Te\n0.616455 0.601513 0.451880 Te\n",
"nsites": 7,
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"In",
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],
"chemical_system": "In-Mn-Te",
"density": 5.282204356359942,
"density_atomic": 0.02800987636980574,
"volume": 249.91184921993812,
"volume_molar": 21.500061908490906,
"formula_full": "Mn1 In2 Te4",
"formula_reduced": "Mn(InTe2)2",
"formula_anonymous": "AB2C4",
"energy": -30.85225554,
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"updated_at": "2021-11-28T01:37:04.249000Z",
"spacegroup": 82
},
{
"id": "mp-754631",
"created_at": "2022-09-04T14:41:13.081700Z",
"structure_string": "Na1 Cu2 O3\n1.0\n1.875358 -5.807173 0.000000\n1.875358 5.807173 0.000000\n0.000000 0.000000 3.449245\nNa Cu O\n1 2 3\ndirect\n0.000000 0.000000 0.500000 Na\n0.657839 0.342161 0.000000 Cu\n0.342161 0.657839 0.000000 Cu\n0.820654 0.179346 0.000000 O\n0.500000 0.500000 0.000000 O\n0.179346 0.820654 0.000000 O\n",
"nsites": 6,
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"Cu",
"O"
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"chemical_system": "Cu-Na-O",
"density": 4.378109997287469,
"density_atomic": 0.07986348575691703,
"volume": 75.12820086844677,
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"formula_full": "Na1 Cu2 O3",
"formula_reduced": "NaCu2O3",
"formula_anonymous": "AB2C3",
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"updated_at": "2021-11-28T01:35:11.865000Z",
"spacegroup": 65
},
{
"id": "mp-1235439",
"created_at": "2022-09-04T14:39:31.613538Z",
"structure_string": "Li1 Bi2 I2 O2\n1.0\n4.232823 0.000000 0.000000\n0.000000 4.232823 0.000000\n0.000000 0.000000 9.999939\nLi Bi I O\n1 2 2 2\ndirect\n0.250000 0.750000 0.500000 Li\n0.750000 0.750000 0.891823 Bi\n0.250000 0.250000 0.108177 Bi\n0.250000 0.250000 0.677501 I\n0.750000 0.750000 0.322499 I\n0.750000 0.250000 0.000000 O\n0.250000 0.750000 0.000000 O\n",
"nsites": 7,
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"elements": [
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"I",
"O"
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"chemical_system": "Bi-I-Li-O",
"density": 6.5869395076746065,
"density_atomic": 0.03906973562585198,
"volume": 179.16681256906645,
"volume_molar": 15.413825211592219,
"formula_full": "Li1 Bi2 I2 O2",
"formula_reduced": "LiBi2(IO)2",
"formula_anonymous": "AB2C2D2",
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"updated_at": "2021-11-28T01:34:39.058000Z",
"spacegroup": 115
},
{
"id": "mp-867922",
"created_at": "2022-09-04T14:41:35.681722Z",
"structure_string": "Sc1 Al1 Rh2\n1.0\n0.000000 3.120387 3.120387\n3.120387 0.000000 3.120387\n3.120387 3.120387 0.000000\nSc Al Rh\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Al\n0.250000 0.250000 0.250000 Rh\n0.750000 0.750000 0.750000 Rh\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Al-Rh-Sc",
"density": 7.590062761470937,
"density_atomic": 0.06582708381467836,
"volume": 60.7652620805916,
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"formula_full": "Sc1 Al1 Rh2",
"formula_reduced": "ScAlRh2",
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"energy": -29.16655509,
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"energy_above_hull": null,
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"total_magnetization": 2.43e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:28.891000Z",
"spacegroup": 225
},
{
"id": "mp-1223928",
"created_at": "2022-09-04T14:46:17.826112Z",
"structure_string": "Ho2 Zn1 Cu1 Si2\n1.0\n0.000000 0.000000 -3.987077\n-2.029492 -3.517706 0.000000\n-6.091003 3.519170 0.000000\nHo Zn Cu Si\n2 1 1 2\ndirect\n0.000000 0.999944 0.003357 Ho\n0.000000 0.499852 0.496504 Ho\n0.500000 0.500106 0.835385 Zn\n0.500000 0.000112 0.332243 Cu\n0.500000 0.499904 0.172828 Si\n0.500000 0.999882 0.659684 Si\n",
"nsites": 6,
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"elements": [
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"Si"
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"chemical_system": "Cu-Ho-Si-Zn",
"density": 7.5076362809846735,
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"volume": 113.90475010929953,
"volume_molar": 11.432507306513786,
"formula_full": "Ho2 Zn1 Cu1 Si2",
"formula_reduced": "Ho2ZnCuSi2",
"formula_anonymous": "ABC2D2",
"energy": -29.02585311,
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"spacegroup": 25
},
{
"id": "mp-1206478",
"created_at": "2022-09-04T14:43:16.486700Z",
"structure_string": "Eu1 Mg2 P2\n1.0\n2.164643 -3.749272 0.000000\n2.164643 3.749272 0.000000\n0.000000 0.000000 7.193098\nEu Mg P\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Eu\n0.333333 0.666667 0.631990 Mg\n0.666667 0.333333 0.368010 Mg\n0.333333 0.666667 0.258552 P\n0.666667 0.333333 0.741448 P\n",
"nsites": 5,
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"Mg",
"P"
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"density": 3.7336603820569407,
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"volume": 116.75599862278025,
"volume_molar": 14.062421165614976,
"formula_full": "Eu1 Mg2 P2",
"formula_reduced": "Eu(MgP)2",
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"energy": -29.1690492,
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"updated_at": "2021-11-28T01:36:05.420000Z",
"spacegroup": 164
},
{
"id": "mp-1110886",
"created_at": "2022-09-04T14:47:18.506959Z",
"structure_string": "K3 Ga1 Br6\n1.0\n0.000000 5.667810 5.667810\n5.667810 0.000000 5.667810\n5.667810 5.667810 0.000000\nK Ga Br\n3 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Ga\n0.773916 0.226084 0.226084 Br\n0.226084 0.226084 0.773916 Br\n0.226084 0.773916 0.773916 Br\n0.226084 0.773916 0.226084 Br\n0.773916 0.226084 0.773916 Br\n0.773916 0.773916 0.226084 Br\n",
"nsites": 10,
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],
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"density": 3.0390339120033256,
"density_atomic": 0.02746149364081412,
"volume": 364.1462525963151,
"volume_molar": 21.929399903615252,
"formula_full": "K3 Ga1 Br6",
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{
"id": "mp-1113578",
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"structure_string": "Cs2 Ag1 As1 Br6\n1.0\n0.000000 5.552431 5.552431\n5.552431 0.000000 5.552431\n5.552431 5.552431 0.000000\nCs Ag As Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 As\n0.757553 0.242447 0.242447 Br\n0.242447 0.242447 0.757553 Br\n0.242447 0.757553 0.757553 Br\n0.242447 0.757553 0.242447 Br\n0.757553 0.242447 0.757553 Br\n0.757553 0.757553 0.242447 Br\n",
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"volume": 342.3572320887746,
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"formula_full": "Cs2 Ag1 As1 Br6",
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{
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"nsites": 4,
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"density": 11.089261237917771,
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"volume": 54.81782018927715,
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"formula_full": "Hf1 Ga1 Co2",
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"updated_at": "2021-11-28T01:36:48.345000Z",
"spacegroup": 225
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{
"id": "mp-1028079",
"created_at": "2022-09-04T14:48:17.510091Z",
"structure_string": "Ce1 Mg14 Zn1\n1.0\n6.531471 0.090719 0.000000\n-3.187171 5.520341 0.000000\n0.000000 0.000000 10.286205\nCe Mg Zn\n1 14 1\ndirect\n0.148229 0.824114 0.125000 Ce\n0.162216 0.331108 0.625000 Mg\n0.166854 0.833427 0.625000 Mg\n0.642710 0.331964 0.125000 Mg\n0.665714 0.328871 0.625000 Mg\n0.642710 0.810745 0.125000 Mg\n0.665714 0.836843 0.625000 Mg\n0.337718 0.171830 0.379142 Mg\n0.337718 0.171830 0.870858 Mg\n0.337718 0.665889 0.379142 Mg\n0.337718 0.665889 0.870858 Mg\n0.846999 0.173500 0.356973 Mg\n0.846999 0.173500 0.893027 Mg\n0.830419 0.665210 0.384641 Mg\n0.830419 0.665210 0.865359 Mg\n0.200144 0.350071 0.125000 Zn\n",
"nsites": 16,
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"elements": [
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],
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"density": 2.4242521896412588,
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"volume": 373.85298597546625,
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"formula_full": "Ce1 Mg14 Zn1",
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"updated_at": "2021-11-28T01:38:41.460000Z",
"spacegroup": 38
}
]
}