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{
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"results": [
{
"id": "mp-1095974",
"created_at": "2022-09-04T14:47:12.384782Z",
"structure_string": "Ca2 Zn1 Cd1\n1.0\n-6.479656 6.791448 9.161412\n6.479656 -6.791448 9.161412\n6.479656 6.791448 -9.161412\nCa Zn Cd\n2 1 1\ndirect\n0.246514 0.000000 0.246514 Ca\n0.753486 0.000000 0.753486 Ca\n0.000000 0.000000 0.000000 Zn\n0.500000 0.000000 0.500000 Cd\n",
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{
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"elements": [
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"updated_at": "2021-11-28T01:34:36.652000Z",
"spacegroup": 71
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{
"id": "mp-1093940",
"created_at": "2022-09-04T14:40:28.001532Z",
"structure_string": "Ba1 Ca1 Cd2\n1.0\n-6.957490 7.029899 9.855929\n6.957490 -7.029899 9.855929\n6.957490 7.029899 -9.855929\nBa Ca Cd\n1 1 2\ndirect\n0.500000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Ca\n0.240494 0.000000 0.240494 Cd\n0.759506 0.000000 0.759506 Cd\n",
"nsites": 4,
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"elements": [
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"Cd"
],
"chemical_system": "Ba-Ca-Cd",
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"volume": 1928.2317688237722,
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"formula_full": "Ba1 Ca1 Cd2",
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"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:34:58.979000Z",
"spacegroup": 71
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{
"id": "mp-639751",
"created_at": "2022-09-04T14:48:19.711770Z",
"structure_string": "I1\n1.0\n-1.491663 1.879321 4.148181\n1.491663 -1.879321 4.148181\n1.491663 1.879321 -4.148181\nI\n1\ndirect\n0.000000 0.000000 0.000000 I\n",
"nsites": 1,
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"elements": [
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"chemical_system": "I",
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"density_atomic": 0.021498622140968978,
"volume": 46.51460886390221,
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"formula_full": "I1",
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"updated_at": "2021-11-28T01:39:07.258000Z",
"spacegroup": 71
},
{
"id": "mp-1408617",
"created_at": "2022-09-04T14:41:48.969230Z",
"structure_string": "V2 Ni1 O6\n1.0\n4.948966 0.000000 0.000000\n-2.469341 4.494626 0.000000\n-0.231333 -2.620646 4.576411\nV Ni O\n2 1 6\ndirect\n0.005798 0.981580 0.966410 V\n0.040734 0.496671 0.458968 V\n0.603360 0.302424 0.097108 Ni\n0.476626 0.859623 0.280126 O\n0.853758 0.605204 0.272771 O\n0.126254 0.256372 0.295975 O\n0.875323 0.755996 0.778636 O\n0.047909 0.339459 0.800776 O\n0.469437 0.151870 0.800833 O\n",
"nsites": 9,
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"elements": [
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"density": 4.185300646044114,
"density_atomic": 0.08841164246520304,
"volume": 101.79654793249894,
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"formula_full": "V2 Ni1 O6",
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"formula_anonymous": "AB2C6",
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"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:41.298000Z",
"spacegroup": 1
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{
"id": "mp-1096164",
"created_at": "2022-09-04T14:47:13.417829Z",
"structure_string": "K1 Rb1 Hg2\n1.0\n-6.580816 7.442841 9.302626\n6.580816 -7.442841 9.302626\n6.580816 7.442841 -9.302626\nK Rb Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.000000 0.500000 Rb\n0.246586 0.000000 0.246586 Hg\n0.753414 0.000000 0.753414 Hg\n",
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"elements": [
"K",
"Rb",
"Hg"
],
"chemical_system": "Hg-K-Rb",
"density": 0.47900617871118706,
"density_atomic": 0.0021947039714458024,
"volume": 1822.5692631179436,
"volume_molar": 274.39421618364327,
"formula_full": "K1 Rb1 Hg2",
"formula_reduced": "KRbHg2",
"formula_anonymous": "ABC2",
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"band_gap": 0.1083999999999998,
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"is_magnetic": false,
"total_magnetization": 5.7e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:00.367000Z",
"spacegroup": 71
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{
"id": "mp-19858",
"created_at": "2022-09-04T14:46:35.674047Z",
"structure_string": "Sr1\n1.0\n2.035118 -3.524927 0.000000\n2.035118 3.524927 0.000000\n0.000000 0.000000 3.773756\nSr\n1\ndirect\n0.000000 0.000000 0.000000 Sr\n",
"nsites": 1,
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"elements": [
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"density": 2.687254577070871,
"density_atomic": 0.01846955641025743,
"volume": 54.14315199495698,
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"formula_full": "Sr1",
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"formula_anonymous": "A",
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"energy_above_hull": null,
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"is_theoretical": false,
"updated_at": "2021-11-28T01:37:39.240000Z",
"spacegroup": 191
},
{
"id": "mp-30488",
"created_at": "2022-09-04T14:41:05.505628Z",
"structure_string": "Cd1 Hg2\n1.0\n-2.052865 2.052865 4.492229\n2.052865 -2.052865 4.492229\n2.052865 2.052865 -4.492229\nCd Hg\n1 2\ndirect\n0.000000 0.000000 0.000000 Cd\n0.333281 0.333281 0.000000 Hg\n0.666719 0.666719 0.000000 Hg\n",
"nsites": 3,
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"elements": [
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"chemical_system": "Cd-Hg",
"density": 11.262215753654495,
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"volume": 75.72558885469955,
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"formula_full": "Cd1 Hg2",
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"updated_at": "2021-11-28T01:35:13.752000Z",
"spacegroup": 139
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{
"id": "mp-1010048",
"created_at": "2022-09-04T14:41:52.170840Z",
"structure_string": "Br1\n1.0\n-1.437199 1.437199 4.380070\n1.437199 -1.437199 4.380070\n1.437199 1.437199 -4.380070\nBr\n1\ndirect\n0.000000 0.000000 0.000000 Br\n",
"nsites": 1,
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"volume": 36.188856068799886,
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"formula_full": "Br1",
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"energy": -1.43585196,
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"energy_above_hull": null,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:31.768000Z",
"spacegroup": 139
},
{
"id": "mp-1096012",
"created_at": "2022-09-04T14:40:37.475012Z",
"structure_string": "Ca2 Cd1 Hg1\n1.0\n-6.464141 6.846135 9.139241\n6.464141 -6.846135 9.139241\n6.464141 6.846135 -9.139241\nCa Cd Hg\n2 1 1\ndirect\n0.251680 0.000000 0.251680 Ca\n0.748320 0.000000 0.748320 Ca\n0.000000 0.000000 0.000000 Cd\n0.500000 0.000000 0.500000 Hg\n",
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"volume": 1617.8058476068945,
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"formula_full": "Ca2 Cd1 Hg1",
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{
"id": "mp-1180981",
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"structure_string": "I1\n1.0\n0.000000 2.390326 4.415368\n2.182730 0.000000 4.415368\n2.182730 2.390326 0.000000\nI\n1\ndirect\n0.000000 0.000000 0.000000 I\n",
"nsites": 1,
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{
"id": "mp-1097680",
"created_at": "2022-09-04T14:47:26.525725Z",
"structure_string": "Ca2 Mg1 Zn1\n1.0\n-6.569225 6.946878 9.284802\n6.569225 -6.946878 9.284802\n6.569225 6.946878 -9.284802\nCa Mg Zn\n2 1 1\ndirect\n0.260497 0.000000 0.260497 Ca\n0.739503 0.000000 0.739503 Ca\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Zn\n",
"nsites": 4,
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"volume": 1694.8702125426207,
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"updated_at": "2021-11-28T01:38:07.503000Z",
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}
]
}