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{
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{
"id": "mp-1095995",
"created_at": "2022-09-04T14:40:56.137544Z",
"structure_string": "Na1 Tl1 Hg2\n1.0\n-5.949219 6.021277 8.548806\n5.949219 -6.021277 8.548806\n5.949219 6.021277 -8.548806\nNa Tl Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.000000 0.500000 Tl\n0.248512 0.000000 0.248512 Hg\n0.751488 0.000000 0.751488 Hg\n",
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{
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"updated_at": "2021-11-28T01:36:58.305000Z",
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{
"id": "mp-1096195",
"created_at": "2022-09-04T14:41:05.424956Z",
"structure_string": "Sc2 Tl1 V1\n1.0\n-5.575553 6.279996 8.753972\n5.575553 -6.279996 8.753972\n5.575553 6.279996 -8.753972\nSc Tl V\n2 1 1\ndirect\n0.000000 0.233919 0.233919 Sc\n0.000000 0.766081 0.766081 Sc\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 V\n",
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"elements": [
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"chemical_system": "Sc-Tl-V",
"density": 0.46757738573504326,
"density_atomic": 0.0032624775453282528,
"volume": 1226.062078412724,
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"formula_full": "Sc2 Tl1 V1",
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"is_magnetic": true,
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"updated_at": "2021-11-28T01:35:14.423000Z",
"spacegroup": 71
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{
"id": "mp-1096021",
"created_at": "2022-09-04T14:41:00.403112Z",
"structure_string": "Sc1 Ti1 Tl2\n1.0\n-5.723483 6.206236 8.631755\n5.723483 -6.206236 8.631755\n5.723483 6.206236 -8.631755\nSc Ti Tl\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.500000 0.500000 Ti\n0.000000 0.253563 0.253563 Tl\n0.000000 0.746437 0.746437 Tl\n",
"nsites": 4,
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"elements": [
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],
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"density_atomic": 0.003261461164758785,
"volume": 1226.4441604337903,
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"formula_full": "Sc1 Ti1 Tl2",
"formula_reduced": "ScTiTl2",
"formula_anonymous": "ABC2",
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:00.662000Z",
"spacegroup": 71
},
{
"id": "mp-1093663",
"created_at": "2022-09-04T14:44:19.110370Z",
"structure_string": "Li1 Ca2 Pd1\n1.0\n-5.958239 6.036064 8.530422\n5.958239 -6.036064 8.530422\n5.958239 6.036064 -8.530422\nLi Ca Pd\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.283564 0.283564 Ca\n0.000000 0.716436 0.716436 Ca\n0.000000 0.500000 0.500000 Pd\n",
"nsites": 4,
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"elements": [
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"volume": 1227.1630308543595,
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"formula_full": "Li1 Ca2 Pd1",
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:34.813000Z",
"spacegroup": 71
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{
"id": "mp-1093882",
"created_at": "2022-09-04T14:42:02.853292Z",
"structure_string": "Ca1 Hg1 Au2\n1.0\n-5.658597 6.197454 8.752095\n5.658597 -6.197454 8.752095\n5.658597 6.197454 -8.752095\nCa Hg Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.500000 Hg\n0.000000 0.238104 0.238104 Au\n0.000000 0.761896 0.761896 Au\n",
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"Hg",
"Au"
],
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"density": 0.8583330843650777,
"density_atomic": 0.003258111178992402,
"volume": 1227.705188758179,
"volume_molar": 184.83533646210307,
"formula_full": "Ca1 Hg1 Au2",
"formula_reduced": "CaHgAu2",
"formula_anonymous": "ABC2",
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"energy_uncorrected": -7.18371354,
"band_gap": 1.6528999999999998,
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"total_magnetization": 4.16e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:33.938000Z",
"spacegroup": 71
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{
"id": "mp-1095920",
"created_at": "2022-09-04T14:44:41.996842Z",
"structure_string": "Y2 Ni1 Pd1\n1.0\n-5.019307 6.412632 9.541862\n5.019307 -6.412632 9.541862\n5.019307 6.412632 -9.541862\nY Ni Pd\n2 1 1\ndirect\n0.000000 0.240107 0.240107 Y\n0.000000 0.759893 0.759893 Y\n0.000000 0.000000 0.000000 Ni\n0.000000 0.500000 0.500000 Pd\n",
"nsites": 4,
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"elements": [
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"Ni",
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],
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"density": 0.4635271439755727,
"density_atomic": 0.003256017956185,
"volume": 1228.4944536014495,
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"formula_full": "Y2 Ni1 Pd1",
"formula_reduced": "Y2NiPd",
"formula_anonymous": "ABC2",
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"energy_uncorrected": -16.49738502,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:39.329000Z",
"spacegroup": 71
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{
"id": "mp-1096324",
"created_at": "2022-09-04T14:42:52.411171Z",
"structure_string": "Mg2 Cd1 Pb1\n1.0\n-5.631653 6.211150 8.780678\n5.631653 -6.211150 8.780678\n5.631653 6.211150 -8.780678\nMg Cd Pb\n2 1 1\ndirect\n0.000000 0.251134 0.251134 Mg\n0.000000 0.748866 0.748866 Mg\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
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"Cd",
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"volume": 1228.558801727596,
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"formula_full": "Mg2 Cd1 Pb1",
"formula_reduced": "Mg2CdPb",
"formula_anonymous": "ABC2",
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"band_gap": 0.4485999999999999,
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"updated_at": "2021-11-28T01:35:51.869000Z",
"spacegroup": 71
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{
"id": "mp-1096038",
"created_at": "2022-09-04T14:46:58.421046Z",
"structure_string": "Li1 La2 Hg1\n1.0\n-5.915391 6.197638 8.378822\n5.915391 -6.197638 8.378822\n5.915391 6.197638 -8.378822\nLi La Hg\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.745184 0.000000 0.745184 La\n0.254816 0.000000 0.254816 La\n0.500000 0.000000 0.500000 Hg\n",
"nsites": 4,
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"elements": [
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"density": 0.6559100744797296,
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"volume": 1228.719123835229,
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"formula_full": "Li1 La2 Hg1",
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"updated_at": "2021-11-28T01:37:46.361000Z",
"spacegroup": 71
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{
"id": "mp-1208130",
"created_at": "2022-09-04T14:42:22.253627Z",
"structure_string": "Yb2 Ga12\n1.0\n14.320480 0.000000 0.000000\n0.000000 14.320480 0.000000\n0.000000 0.000000 20.970766\nYb Ga\n2 12\ndirect\n0.500000 0.000000 0.000000 Yb\n0.000000 0.500000 0.000000 Yb\n0.872779 0.000000 0.349929 Ga\n0.127221 0.000000 0.349929 Ga\n0.000000 0.872779 0.349929 Ga\n0.000000 0.127221 0.650071 Ga\n0.127221 0.000000 0.650071 Ga\n0.000000 0.127221 0.349929 Ga\n0.000000 0.872779 0.650071 Ga\n0.872779 0.000000 0.650071 Ga\n0.000000 0.500000 0.161439 Ga\n0.500000 0.000000 0.161439 Ga\n0.500000 0.000000 0.838561 Ga\n0.000000 0.500000 0.838561 Ga\n",
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"formula_full": "Yb2 Ga12",
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{
"id": "mp-1095915",
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"structure_string": "Na1 Ag2 Pb1\n1.0\n-5.737424 6.153168 8.701722\n5.737424 -6.153168 8.701722\n5.737424 6.153168 -8.701722\nNa Ag Pb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.253477 0.253477 Ag\n0.000000 0.746523 0.746523 Ag\n0.000000 0.500000 0.500000 Pb\n",
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"formula_full": "Na1 Ag2 Pb1",
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{
"id": "mp-1096146",
"created_at": "2022-09-04T14:46:13.849108Z",
"structure_string": "Y2 Rh1 Pb1\n1.0\n-5.268432 6.407531 9.102130\n5.268432 -6.407531 9.102130\n5.268432 6.407531 -9.102130\nY Rh Pb\n2 1 1\ndirect\n0.000000 0.228854 0.228854 Y\n0.000000 0.771146 0.771146 Y\n0.000000 0.000000 0.000000 Rh\n0.000000 0.500000 0.500000 Pb\n",
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"volume": 1229.0657606590678,
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"formula_full": "Y2 Rh1 Pb1",
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"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:37:30.938000Z",
"spacegroup": 71
}
]
}