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{
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{
"id": "mp-1068212",
"created_at": "2022-09-04T14:41:36.997588Z",
"structure_string": "Fe2 O3\n1.0\n3.788512 0.000000 0.000000\n0.000000 3.788512 0.000000\n0.000000 0.000000 3.788512\nFe O\n2 3\ndirect\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.500000 0.000000 O\n",
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{
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"updated_at": "2021-11-28T01:34:49.527000Z",
"spacegroup": 225
},
{
"id": "mp-1025177",
"created_at": "2022-09-04T14:40:55.802856Z",
"structure_string": "Rb2 Cu1 F4\n1.0\n-2.122798 2.122798 6.803630\n2.122798 -2.122798 6.803630\n2.122798 2.122798 -6.803630\nRb Cu F\n2 1 4\ndirect\n0.356248 0.356248 0.000000 Rb\n0.643752 0.643752 0.000000 Rb\n0.000000 0.000000 0.000000 Cu\n0.145237 0.145237 0.000000 F\n0.854763 0.854763 0.000000 F\n0.500000 0.000000 0.500000 F\n0.000000 0.500000 0.500000 F\n",
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"volume": 122.63601174745344,
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"formula_full": "Rb2 Cu1 F4",
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"formula_anonymous": "AB2C4",
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"updated_at": "2021-11-28T01:35:20.432000Z",
"spacegroup": 139
},
{
"id": "mp-1110640",
"created_at": "2022-09-04T14:44:11.479885Z",
"structure_string": "K2 In1 As1 Br6\n1.0\n0.000000 5.677835 5.677835\n5.677835 0.000000 5.677835\n5.677835 5.677835 0.000000\nK In As Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 As\n0.763201 0.236799 0.236799 Br\n0.236799 0.236799 0.763201 Br\n0.236799 0.763201 0.763201 Br\n0.236799 0.763201 0.236799 Br\n0.763201 0.236799 0.763201 Br\n0.763201 0.763201 0.236799 Br\n",
"nsites": 10,
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"elements": [
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],
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"density": 3.3900083281429914,
"density_atomic": 0.027316289169137437,
"volume": 366.08193514433236,
"volume_molar": 22.045969431323606,
"formula_full": "K2 In1 As1 Br6",
"formula_reduced": "K2InAsBr6",
"formula_anonymous": "ABC2D6",
"energy": -32.64828865,
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"updated_at": "2021-11-28T01:36:27.568000Z",
"spacegroup": 225
},
{
"id": "mp-1110811",
"created_at": "2022-09-04T14:43:06.322175Z",
"structure_string": "Rb2 Ag1 Bi1 Br6\n1.0\n0.000000 5.708025 5.708025\n5.708025 0.000000 5.708025\n5.708025 5.708025 0.000000\nRb Ag Bi Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Bi\n0.748433 0.251567 0.251567 Br\n0.251567 0.251567 0.748433 Br\n0.251567 0.748433 0.748433 Br\n0.251567 0.748433 0.251567 Br\n0.748433 0.251567 0.748433 Br\n0.748433 0.748433 0.251567 Br\n",
"nsites": 10,
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"elements": [
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"Bi",
"Br"
],
"chemical_system": "Ag-Bi-Br-Rb",
"density": 4.317988406153579,
"density_atomic": 0.02688514633239376,
"volume": 371.95259703500506,
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"formula_full": "Rb2 Ag1 Bi1 Br6",
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"formula_anonymous": "ABC2D6",
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"updated_at": "2021-11-28T01:36:06.023000Z",
"spacegroup": 225
},
{
"id": "mp-1095059",
"created_at": "2022-09-04T14:46:11.980700Z",
"structure_string": "In2 Ga2 Se4\n1.0\n-4.070546 4.070546 3.212646\n4.070546 -4.070546 3.212646\n4.070546 4.070546 -3.212646\nIn Ga Se\n2 2 4\ndirect\n0.250000 0.250000 0.000000 In\n0.750000 0.750000 0.000000 In\n0.250000 0.750000 0.500000 Ga\n0.750000 0.250000 0.500000 Ga\n0.162266 0.662266 0.824532 Se\n0.837734 0.337734 0.175468 Se\n0.337734 0.162266 0.500000 Se\n0.662266 0.837734 0.500000 Se\n",
"nsites": 8,
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"density": 5.341485022285088,
"density_atomic": 0.03757178152577821,
"volume": 212.92575638211767,
"volume_molar": 16.02836095453226,
"formula_full": "In2 Ga2 Se4",
"formula_reduced": "InGaSe2",
"formula_anonymous": "ABC2",
"energy": -31.3297666,
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"updated_at": "2021-11-28T01:37:23.594000Z",
"spacegroup": 140
},
{
"id": "mp-1110754",
"created_at": "2022-09-04T14:43:50.299670Z",
"structure_string": "K2 Rb1 Sb1 Br6\n1.0\n0.000000 6.048679 6.048679\n6.048679 0.000000 6.048679\n6.048679 6.048679 0.000000\nK Rb Sb Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Sb\n0.767823 0.232177 0.232177 Br\n0.232177 0.232177 0.767823 Br\n0.232177 0.767823 0.767823 Br\n0.232177 0.767823 0.232177 Br\n0.767823 0.232177 0.767823 Br\n0.767823 0.767823 0.232177 Br\n",
"nsites": 10,
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"elements": [
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"Br"
],
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"density": 2.8695437613935724,
"density_atomic": 0.022593753813257397,
"volume": 442.60020192537786,
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"formula_full": "K2 Rb1 Sb1 Br6",
"formula_reduced": "K2RbSbBr6",
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"updated_at": "2021-11-28T01:36:23.836000Z",
"spacegroup": 225
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{
"id": "mp-1025069",
"created_at": "2022-09-04T14:42:27.675759Z",
"structure_string": "Pr2 Sn4\n1.0\n2.278263 -7.990142 0.000000\n2.278263 7.990142 0.000000\n0.000000 0.000000 4.701142\nPr Sn\n2 4\ndirect\n0.854161 0.145839 0.500000 Pr\n0.145839 0.854161 0.500000 Pr\n0.681962 0.318038 0.000000 Sn\n0.318038 0.681962 0.000000 Sn\n0.500000 0.500000 0.500000 Sn\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 6,
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"elements": [
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"density": 7.341003922113975,
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"volume": 171.15583902836593,
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"formula_full": "Pr2 Sn4",
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"updated_at": "2021-11-28T01:35:47.734000Z",
"spacegroup": 65
},
{
"id": "mp-1205937",
"created_at": "2022-09-04T14:42:27.337853Z",
"structure_string": "Pr3 Mg3 Tl3\n1.0\n3.900834 -6.756443 0.000000\n3.900834 6.756443 0.000000\n0.000000 0.000000 4.797351\nPr Mg Tl\n3 3 3\ndirect\n0.575134 0.000000 0.000000 Pr\n0.000000 0.575134 0.000000 Pr\n0.424866 0.424866 0.000000 Pr\n0.243608 0.000000 0.500000 Mg\n0.000000 0.243608 0.500000 Mg\n0.756392 0.756392 0.500000 Mg\n0.333333 0.666667 0.500000 Tl\n0.666667 0.333333 0.500000 Tl\n0.000000 0.000000 0.000000 Tl\n",
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"formula_full": "Pr3 Mg3 Tl3",
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{
"id": "mp-1028184",
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"structure_string": "Ca1 Mg14 Ni1\n1.0\n6.325917 -0.000000 0.000000\n-3.162959 5.478405 -0.000000\n-0.000000 0.000000 10.087473\nCa Mg Ni\n1 14 1\ndirect\n0.166667 0.333333 0.125000 Ca\n0.176906 0.838452 0.125000 Mg\n0.159044 0.829522 0.625000 Mg\n0.661548 0.323094 0.125000 Mg\n0.670478 0.340956 0.625000 Mg\n0.661548 0.838452 0.125000 Mg\n0.670478 0.829522 0.625000 Mg\n0.328555 0.171445 0.396146 Mg\n0.328555 0.171445 0.853854 Mg\n0.328555 0.657112 0.396146 Mg\n0.328555 0.657112 0.853854 Mg\n0.842888 0.171445 0.396146 Mg\n0.842888 0.171445 0.853854 Mg\n0.833333 0.666667 0.365290 Mg\n0.833333 0.666667 0.884710 Mg\n0.166667 0.333333 0.625000 Ni\n",
"nsites": 16,
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"volume": 349.59081185430495,
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"formula_full": "Ca1 Mg14 Ni1",
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"spacegroup": 187
},
{
"id": "mp-1114122",
"created_at": "2022-09-04T14:43:16.717607Z",
"structure_string": "K1 Rb2 In1 Br6\n1.0\n0.000000 5.844036 5.844036\n5.844036 0.000000 5.844036\n5.844036 5.844036 0.000000\nK Rb In Br\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 K\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 In\n0.768581 0.231419 0.231419 Br\n0.231419 0.231419 0.768581 Br\n0.231419 0.768581 0.768581 Br\n0.231419 0.768581 0.231419 Br\n0.768581 0.231419 0.768581 Br\n0.768581 0.768581 0.231419 Br\n",
"nsites": 10,
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"elements": [
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"Br"
],
"chemical_system": "Br-In-K-Rb",
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"volume": 399.179880118019,
"volume_molar": 24.03917426630636,
"formula_full": "K1 Rb2 In1 Br6",
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"formula_anonymous": "ABC2D6",
"energy": -32.64251988,
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"spacegroup": 225
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{
"id": "mp-1065753",
"created_at": "2022-09-04T14:46:09.526310Z",
"structure_string": "Mn1 Ga1 Fe2\n1.0\n3.598925 0.000000 0.000000\n0.000000 3.598925 0.000000\n0.000000 0.000000 3.823859\nMn Ga Fe\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.000000 Ga\n0.000000 0.500000 0.500000 Fe\n0.500000 0.000000 0.500000 Fe\n",
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"updated_at": "2021-11-28T01:37:13.321000Z",
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}
]
}