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{
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{
"id": "mp-1097326",
"created_at": "2022-09-04T14:40:04.980675Z",
"structure_string": "Mg1 Sc1 In2\n1.0\n-5.750991 6.057484 8.526908\n5.750991 -6.057484 8.526908\n5.750991 6.057484 -8.526908\nMg Sc In\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Sc\n0.000000 0.249159 0.249159 In\n0.000000 0.750841 0.750841 In\n",
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{
"id": "mp-1097583",
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"structure_string": "Sc2 Al1 Tl1\n1.0\n-5.595718 6.167977 8.603863\n5.595718 -6.167977 8.603863\n5.595718 6.167977 -8.603863\nSc Al Tl\n2 1 1\ndirect\n0.000000 0.243168 0.243168 Sc\n0.000000 0.756832 0.756832 Sc\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 Tl\n",
"nsites": 4,
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"spacegroup": 71
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{
"id": "mp-1095725",
"created_at": "2022-09-04T14:41:07.364724Z",
"structure_string": "In1 Hg1 Pb2\n1.0\n-5.736310 6.043410 8.564927\n5.736310 -6.043410 8.564927\n5.736310 6.043410 -8.564927\nIn Hg Pb\n1 1 2\ndirect\n0.000000 0.000000 0.000000 In\n0.000000 0.500000 0.500000 Hg\n0.000000 0.244667 0.244667 Pb\n0.000000 0.755333 0.755333 Pb\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Hg-In-Pb",
"density": 1.0203740094064706,
"density_atomic": 0.003367919186753148,
"volume": 1187.6769536908666,
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"formula_full": "In1 Hg1 Pb2",
"formula_reduced": "InHgPb2",
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"energy": -6.00226267,
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"updated_at": "2021-11-28T01:35:13.369000Z",
"spacegroup": 71
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{
"id": "mp-1096395",
"created_at": "2022-09-04T14:39:11.549028Z",
"structure_string": "Li1 Mg1 Pb2\n1.0\n-5.603100 6.099543 8.680429\n5.603100 -6.099543 8.680429\n5.603100 6.099543 -8.680429\nLi Mg Pb\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Mg\n0.000000 0.247882 0.247882 Pb\n0.000000 0.752118 0.752118 Pb\n",
"nsites": 4,
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"elements": [
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"Mg",
"Pb"
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"chemical_system": "Li-Mg-Pb",
"density": 0.6236088342107752,
"density_atomic": 0.003370801201038132,
"volume": 1186.6614972037178,
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"formula_full": "Li1 Mg1 Pb2",
"formula_reduced": "LiMgPb2",
"formula_anonymous": "ABC2",
"energy": -6.28312831,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:31.860000Z",
"spacegroup": 71
},
{
"id": "mp-1097416",
"created_at": "2022-09-04T14:45:16.736620Z",
"structure_string": "Y2 Sn1 Pd1\n1.0\n-5.442179 6.205978 8.773974\n5.442179 -6.205978 8.773974\n5.442179 6.205978 -8.773974\nY Sn Pd\n2 1 1\ndirect\n0.000000 0.239761 0.239761 Y\n0.000000 0.760239 0.760239 Y\n0.000000 0.500000 0.500000 Sn\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 4,
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"elements": [
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"density": 0.5644843729754826,
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"volume": 1185.330305753705,
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"formula_full": "Y2 Sn1 Pd1",
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"band_gap": 0.1109999999999997,
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"total_magnetization": 5.33e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:57.707000Z",
"spacegroup": 71
},
{
"id": "mp-1093703",
"created_at": "2022-09-04T14:39:41.799346Z",
"structure_string": "Zr2 Zn1 Cd1\n1.0\n-5.773667 5.998361 8.553931\n5.773667 -5.998361 8.553931\n5.773667 5.998361 -8.553931\nZr Zn Cd\n2 1 1\ndirect\n0.000000 0.240611 0.240611 Zr\n0.000000 0.759389 0.759389 Zr\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Cd\n",
"nsites": 4,
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"elements": [
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"Cd"
],
"chemical_system": "Cd-Zn-Zr",
"density": 0.5048527433848427,
"density_atomic": 0.0033755918202963806,
"volume": 1184.977394467319,
"volume_molar": 178.40251667250604,
"formula_full": "Zr2 Zn1 Cd1",
"formula_reduced": "Zr2ZnCd",
"formula_anonymous": "ABC2",
"energy": -8.06354786,
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"energy_uncorrected": -8.06354786,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:35.466000Z",
"spacegroup": 71
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{
"id": "mp-1095817",
"created_at": "2022-09-04T14:45:17.366174Z",
"structure_string": "Na2 Hg1 Au1\n1.0\n-5.919935 5.954589 8.402815\n5.919935 -5.954589 8.402815\n5.919935 5.954589 -8.402815\nNa Hg Au\n2 1 1\ndirect\n0.000000 0.235932 0.235932 Na\n0.000000 0.764068 0.764068 Na\n0.000000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Au\n",
"nsites": 4,
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"elements": [
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"Hg",
"Au"
],
"chemical_system": "Au-Hg-Na",
"density": 0.6216193943301092,
"density_atomic": 0.0033760313348009663,
"volume": 1184.8231261265291,
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"formula_full": "Na2 Hg1 Au1",
"formula_reduced": "Na2HgAu",
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"updated_at": "2021-11-28T01:37:03.142000Z",
"spacegroup": 71
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{
"id": "mp-1095902",
"created_at": "2022-09-04T14:40:27.099596Z",
"structure_string": "Y2 Zn1 Ga1\n1.0\n-5.878138 6.002002 8.393690\n5.878138 -6.002002 8.393690\n5.878138 6.002002 -8.393690\nY Zn Ga\n2 1 1\ndirect\n0.000000 0.258700 0.258700 Y\n0.000000 0.741300 0.741300 Y\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Ga\n",
"nsites": 4,
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"elements": [
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"density": 0.4386988339333307,
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"volume": 1184.5375444406188,
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"formula_full": "Y2 Zn1 Ga1",
"formula_reduced": "Y2ZnGa",
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"updated_at": "2021-11-28T01:35:01.302000Z",
"spacegroup": 71
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{
"id": "mp-1095849",
"created_at": "2022-09-04T14:46:30.081830Z",
"structure_string": "La1 Y1 Zn2\n1.0\n-5.903820 5.986498 8.378115\n5.903820 -5.986498 8.378115\n5.903820 5.986498 -8.378115\nLa Y Zn\n1 1 2\ndirect\n0.500000 0.000000 0.500000 La\n0.000000 0.000000 0.000000 Y\n0.752682 0.000000 0.752682 Zn\n0.247318 0.000000 0.247318 Zn\n",
"nsites": 4,
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"elements": [
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"Y",
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"density": 0.5027853697268098,
"density_atomic": 0.0033771296441795105,
"volume": 1184.4377982035744,
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"formula_full": "La1 Y1 Zn2",
"formula_reduced": "LaYZn2",
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"energy": -5.65735476,
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"updated_at": "2021-11-28T01:37:35.617000Z",
"spacegroup": 71
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{
"id": "mp-1097134",
"created_at": "2022-09-04T14:43:10.658600Z",
"structure_string": "La2 Cd1 Ag1\n1.0\n-5.849968 6.021407 8.404536\n5.849968 -6.021407 8.404536\n5.849968 6.021407 -8.404536\nLa Cd Ag\n2 1 1\ndirect\n0.000000 0.238918 0.238918 La\n0.000000 0.761082 0.761082 La\n0.000000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Ag\n",
"nsites": 4,
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"volume": 1184.2004087974733,
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"formula_full": "La2 Cd1 Ag1",
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"updated_at": "2021-11-28T01:36:09.365000Z",
"spacegroup": 71
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{
"id": "mp-1093682",
"created_at": "2022-09-04T14:42:28.199308Z",
"structure_string": "Mg1 Sc2 Zn1\n1.0\n-5.863524 5.941002 8.496542\n5.863524 -5.941002 8.496542\n5.863524 5.941002 -8.496542\nMg Sc Zn\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.262711 0.262711 Sc\n0.000000 0.737289 0.737289 Sc\n0.000000 0.500000 0.500000 Zn\n",
"nsites": 4,
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"volume": 1183.9152249811896,
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"formula_full": "Mg1 Sc2 Zn1",
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"updated_at": "2021-11-28T01:35:49.924000Z",
"spacegroup": 71
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{
"id": "mp-1097107",
"created_at": "2022-09-04T14:48:20.691091Z",
"structure_string": "Hf1 Zr1 Hg2\n1.0\n-5.743174 6.020455 8.558003\n5.743174 -6.020455 8.558003\n5.743174 6.020455 -8.558003\nHf Zr Hg\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Hf\n0.000000 0.000000 0.000000 Zr\n0.000000 0.250532 0.250532 Hg\n0.000000 0.749468 0.749468 Hg\n",
"nsites": 4,
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"density": 0.9412159773015587,
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"volume": 1183.6238689248348,
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"formula_full": "Hf1 Zr1 Hg2",
"formula_reduced": "HfZrHg2",
"formula_anonymous": "ABC2",
"energy": -8.61753312,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:38:56.557000Z",
"spacegroup": 71
}
]
}