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{
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{
"id": "mp-1096174",
"created_at": "2022-09-04T14:48:23.657456Z",
"structure_string": "Y1 Zn2 Cd1\n1.0\n-5.685727 6.042807 8.485349\n5.685727 -6.042807 8.485349\n5.685727 6.042807 -8.485349\nY Zn Cd\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Y\n0.000000 0.257187 0.257187 Zn\n0.000000 0.742813 0.742813 Zn\n0.000000 0.500000 0.500000 Cd\n",
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{
"id": "mp-1097218",
"created_at": "2022-09-04T14:42:52.462496Z",
"structure_string": "Li1 Cd2 In1\n1.0\n-5.868143 5.922758 8.383652\n5.868143 -5.922758 8.383652\n5.868143 5.922758 -8.383652\nLi Cd In\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.237874 0.237874 Cd\n0.000000 0.762126 0.762126 Cd\n0.000000 0.500000 0.500000 In\n",
"nsites": 4,
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"elements": [
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"updated_at": "2021-11-28T01:35:52.570000Z",
"spacegroup": 71
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{
"id": "mp-1096271",
"created_at": "2022-09-04T14:46:36.528296Z",
"structure_string": "Li1 Sc2 In1\n1.0\n-5.736438 6.121823 8.296746\n5.736438 -6.121823 8.296746\n5.736438 6.121823 -8.296746\nLi Sc In\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.259373 0.000000 0.259373 Sc\n0.740627 0.000000 0.740627 Sc\n0.500000 0.000000 0.500000 In\n",
"nsites": 4,
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"elements": [
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"density": 0.30159159854665885,
"density_atomic": 0.0034321727005872864,
"volume": 1165.4425196364832,
"volume_molar": 175.46147252349914,
"formula_full": "Li1 Sc2 In1",
"formula_reduced": "LiSc2In",
"formula_anonymous": "ABC2",
"energy": -8.89268528,
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"energy_uncorrected": -8.89268528,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:39.733000Z",
"spacegroup": 71
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{
"id": "mp-1095873",
"created_at": "2022-09-04T14:42:42.291231Z",
"structure_string": "Li1 Zr1 Hg2\n1.0\n-5.689727 6.077672 8.424744\n5.689727 -6.077672 8.424744\n5.689727 6.077672 -8.424744\nLi Zr Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Zr\n0.000000 0.236461 0.236461 Hg\n0.000000 0.763539 0.763539 Hg\n",
"nsites": 4,
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"elements": [
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"Zr",
"Hg"
],
"chemical_system": "Hg-Li-Zr",
"density": 0.7115483427359829,
"density_atomic": 0.0034325320401579124,
"volume": 1165.32051360429,
"volume_molar": 175.44310408601325,
"formula_full": "Li1 Zr1 Hg2",
"formula_reduced": "LiZrHg2",
"formula_anonymous": "ABC2",
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"total_magnetization": 3.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:05.890000Z",
"spacegroup": 71
},
{
"id": "mp-1093671",
"created_at": "2022-09-04T14:39:48.041484Z",
"structure_string": "Na1 Li2 Hg1\n1.0\n-5.881280 5.955124 8.312081\n5.881280 -5.955124 8.312081\n5.881280 5.955124 -8.312081\nNa Li Hg\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.262751 0.000000 0.262751 Li\n0.737249 0.000000 0.737249 Li\n0.500000 0.000000 0.500000 Hg\n",
"nsites": 4,
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"elements": [
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"density": 0.3386182599632298,
"density_atomic": 0.003435006539861234,
"volume": 1164.4810435096263,
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"formula_full": "Na1 Li2 Hg1",
"formula_reduced": "NaLi2Hg",
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"energy_uncorrected": -2.8068034,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:24.080000Z",
"spacegroup": 71
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{
"id": "mp-1097071",
"created_at": "2022-09-04T14:47:54.857459Z",
"structure_string": "Li1 Y2 Co1\n1.0\n-5.536245 6.067488 8.660098\n5.536245 -6.067488 8.660098\n5.536245 6.067488 -8.660098\nLi Y Co\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.300602 0.300602 Y\n0.000000 0.699398 0.699398 Y\n0.000000 0.500000 0.500000 Co\n",
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"Y",
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"density": 0.3477542645376495,
"density_atomic": 0.00343758120536229,
"volume": 1163.6088752639187,
"volume_molar": 175.18541091061502,
"formula_full": "Li1 Y2 Co1",
"formula_reduced": "LiY2Co",
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"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:27.204000Z",
"spacegroup": 71
},
{
"id": "mp-1095748",
"created_at": "2022-09-04T14:46:24.695668Z",
"structure_string": "Mg2 Cd1 Hg1\n1.0\n-5.655705 6.048993 8.501463\n5.655705 -6.048993 8.501463\n5.655705 6.048993 -8.501463\nMg Cd Hg\n2 1 1\ndirect\n0.000000 0.251767 0.251767 Mg\n0.000000 0.748233 0.748233 Mg\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Hg\n",
"nsites": 4,
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"Cd",
"Hg"
],
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"density": 0.516139669595641,
"density_atomic": 0.003438242468507863,
"volume": 1163.385083116587,
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"formula_full": "Mg2 Cd1 Hg1",
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"formula_anonymous": "ABC2",
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"total_magnetization": 1.22e-05,
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"updated_at": "2021-11-28T01:37:35.596000Z",
"spacegroup": 71
},
{
"id": "mp-1096388",
"created_at": "2022-09-04T14:43:14.121705Z",
"structure_string": "Tl1 Sn1 Pb2\n1.0\n-5.594027 6.049204 8.592358\n5.594027 -6.049204 8.592358\n5.594027 6.049204 -8.592358\nTl Sn Pb\n1 1 2\ndirect\n0.500000 0.000000 0.500000 Tl\n0.000000 0.000000 0.000000 Sn\n0.774118 0.000000 0.774119 Pb\n0.225881 0.000000 0.225882 Pb\n",
"nsites": 4,
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"elements": [
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"Sn",
"Pb"
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"density": 1.052960386517831,
"density_atomic": 0.00343925872384507,
"volume": 1163.0413182547734,
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"formula_full": "Tl1 Sn1 Pb2",
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"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:36:07.911000Z",
"spacegroup": 71
},
{
"id": "mp-1096068",
"created_at": "2022-09-04T14:41:17.774100Z",
"structure_string": "Sc1 Zn1 Hg2\n1.0\n-5.591471 6.034579 8.616294\n5.591471 -6.034579 8.616294\n5.591471 6.034579 -8.616294\nSc Zn Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.500000 0.500000 Zn\n0.000000 0.256556 0.256556 Hg\n0.000000 0.743444 0.743444 Hg\n",
"nsites": 4,
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"elements": [
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"Zn",
"Hg"
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"chemical_system": "Hg-Sc-Zn",
"density": 0.7304311945441582,
"density_atomic": 0.0034395880927538046,
"volume": 1162.9299474628424,
"volume_molar": 175.08319594101604,
"formula_full": "Sc1 Zn1 Hg2",
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"formula_anonymous": "ABC2",
"energy": -3.69335982,
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"updated_at": "2021-11-28T01:35:25.335000Z",
"spacegroup": 71
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{
"id": "mp-1097250",
"created_at": "2022-09-04T14:48:18.090521Z",
"structure_string": "Hf1 Mg1 Hg2\n1.0\n-5.791838 5.956809 8.422881\n5.791838 -5.956809 8.422881\n5.791838 5.956809 -8.422881\nHf Mg Hg\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Hf\n0.000000 0.000000 0.000000 Mg\n0.000000 0.250392 0.250392 Hg\n0.000000 0.749608 0.749608 Hg\n",
"nsites": 4,
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"elements": [
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"density": 0.8628142768022389,
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"volume": 1162.3869814333289,
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"formula_full": "Hf1 Mg1 Hg2",
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"updated_at": "2021-11-28T01:39:01.941000Z",
"spacegroup": 71
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{
"id": "mp-1093654",
"created_at": "2022-09-04T14:41:09.527578Z",
"structure_string": "Y2 Cu1 Hg1\n1.0\n-5.841317 5.939245 8.370870\n5.841317 -5.939245 8.370870\n5.841317 5.939245 -8.370870\nY Cu Hg\n2 1 1\ndirect\n0.000000 0.238376 0.238376 Y\n0.000000 0.761624 0.761624 Y\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.500000 Hg\n",
"nsites": 4,
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"volume": 1161.6427997485582,
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"formula_full": "Y2 Cu1 Hg1",
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"band_gap": 0.0874000000000001,
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"updated_at": "2021-11-28T01:35:10.551000Z",
"spacegroup": 71
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{
"id": "mp-1097092",
"created_at": "2022-09-04T14:40:13.642990Z",
"structure_string": "Y2 Ag1 Rh1\n1.0\n-5.417137 6.146092 8.719182\n5.417137 -6.146092 8.719182\n5.417137 6.146092 -8.719182\nY Ag Rh\n2 1 1\ndirect\n0.000000 0.222580 0.222580 Y\n0.000000 0.777420 0.777420 Y\n0.000000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 4,
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"volume": 1161.1935378700848,
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"formula_full": "Y2 Ag1 Rh1",
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"formula_anonymous": "ABC2",
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:34:53.645000Z",
"spacegroup": 71
}
]
}