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{
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{
"id": "mp-1097215",
"created_at": "2022-09-04T14:46:52.392782Z",
"structure_string": "Sr1 Cd1 Au2\n1.0\n-5.792116 6.381748 9.014437\n5.792116 -6.381748 9.014437\n5.792116 6.381748 -9.014437\nSr Cd Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.000000 0.500000 0.500000 Cd\n0.000000 0.248151 0.248151 Au\n0.000000 0.751849 0.751849 Au\n",
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{
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"formula_full": "Ca2 Hg1 Au1",
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"updated_at": "2021-11-28T01:36:17.577000Z",
"spacegroup": 71
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{
"id": "mp-1097393",
"created_at": "2022-09-04T14:44:15.831169Z",
"structure_string": "Mg2 Cd1 Rh1\n1.0\n-5.614682 6.388539 9.283333\n5.614682 -6.388539 9.283333\n5.614682 6.388539 -9.283333\nMg Cd Rh\n2 1 1\ndirect\n0.000000 0.223293 0.223293 Mg\n0.000000 0.776707 0.776707 Mg\n0.000000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 4,
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"elements": [
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"density": 0.3290345181343499,
"density_atomic": 0.0030030969740266152,
"volume": 1331.9583198929192,
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"formula_full": "Mg2 Cd1 Rh1",
"formula_reduced": "Mg2CdRh",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:36:36.580000Z",
"spacegroup": 71
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{
"id": "mp-1097198",
"created_at": "2022-09-04T14:44:21.280262Z",
"structure_string": "Y2 Ni1 Rh1\n1.0\n-4.971642 6.764998 9.898568\n4.971642 -6.764998 9.898568\n4.971642 6.764998 -9.898568\nY Ni Rh\n2 1 1\ndirect\n0.000000 0.253813 0.253813 Y\n0.000000 0.746187 0.746187 Y\n0.000000 0.000000 0.000000 Ni\n0.000000 0.500000 0.500000 Rh\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Ni-Rh-Y",
"density": 0.4232282181174944,
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"volume": 1331.6800175211401,
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"formula_full": "Y2 Ni1 Rh1",
"formula_reduced": "Y2NiRh",
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"updated_at": "2021-11-28T01:36:38.755000Z",
"spacegroup": 71
},
{
"id": "mp-1095744",
"created_at": "2022-09-04T14:44:07.458479Z",
"structure_string": "Na1 Y1 Hg2\n1.0\n-6.127312 6.280171 8.649224\n6.127312 -6.280171 8.649224\n6.127312 6.280171 -8.649224\nNa Y Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.000000 0.500000 Y\n0.754705 0.000000 0.754705 Hg\n0.245295 0.000000 0.245295 Hg\n",
"nsites": 4,
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"elements": [
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"density": 0.6399585936257911,
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"formula_full": "Na1 Y1 Hg2",
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"updated_at": "2021-11-28T01:36:32.626000Z",
"spacegroup": 71
},
{
"id": "mp-1096440",
"created_at": "2022-09-04T14:39:07.663467Z",
"structure_string": "Tl2 Cd1 Bi1\n1.0\n-5.787172 6.381009 9.008951\n5.787172 -6.381009 9.008951\n5.787172 6.381009 -9.008951\nTl Cd Bi\n2 1 1\ndirect\n0.000000 0.256881 0.256881 Tl\n0.000000 0.743119 0.743119 Tl\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Bi\n",
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"elements": [
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"Bi"
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"density": 0.9111208433617031,
"density_atomic": 0.003005868850298287,
"volume": 1330.7300481865868,
"volume_molar": 200.34609159353022,
"formula_full": "Tl2 Cd1 Bi1",
"formula_reduced": "Tl2CdBi",
"formula_anonymous": "ABC2",
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"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:42.155000Z",
"spacegroup": 71
},
{
"id": "mp-1096464",
"created_at": "2022-09-04T14:45:17.411967Z",
"structure_string": "Tl1 Hg2 Pb1\n1.0\n-6.038053 6.239051 8.819668\n6.038053 -6.239051 8.819668\n6.038053 6.239051 -8.819668\nTl Hg Pb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Tl\n0.000000 0.255637 0.255637 Hg\n0.000000 0.744363 0.744363 Hg\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
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"elements": [
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"Hg",
"Pb"
],
"chemical_system": "Hg-Pb-Tl",
"density": 1.0155130234640726,
"density_atomic": 0.003009763050584216,
"volume": 1329.0082749947946,
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"formula_full": "Tl1 Hg2 Pb1",
"formula_reduced": "TlHg2Pb",
"formula_anonymous": "ABC2",
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:37:04.075000Z",
"spacegroup": 71
},
{
"id": "mp-1093975",
"created_at": "2022-09-04T14:39:19.109166Z",
"structure_string": "Tl1 Cd1 In2\n1.0\n-5.986041 6.264683 8.858761\n5.986041 -6.264683 8.858761\n5.986041 6.264683 -8.858761\nTl Cd In\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Cd\n0.000000 0.252300 0.252300 In\n0.000000 0.747700 0.747700 In\n",
"nsites": 4,
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"elements": [
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"density": 0.6828292354115165,
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"volume": 1328.837157619825,
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"formula_full": "Tl1 Cd1 In2",
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:41.766000Z",
"spacegroup": 71
},
{
"id": "mp-1097124",
"created_at": "2022-09-04T14:41:04.700860Z",
"structure_string": "Ca2 Cd1 Rh1\n1.0\n-5.744299 6.326725 9.140542\n5.744299 -6.326725 9.140542\n5.744299 6.326725 -9.140542\nCa Cd Rh\n2 1 1\ndirect\n0.000000 0.207081 0.207081 Ca\n0.000000 0.792919 0.792919 Ca\n0.000000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 4,
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"elements": [
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"density": 0.3692480658837752,
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"volume": 1328.7642500757306,
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"formula_full": "Ca2 Cd1 Rh1",
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"updated_at": "2021-11-28T01:35:23.824000Z",
"spacegroup": 71
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{
"id": "mp-1093546",
"created_at": "2022-09-04T14:46:16.400298Z",
"structure_string": "Y2 Al1 Hg1\n1.0\n-5.997329 6.307839 8.779695\n5.997329 -6.307839 8.779695\n5.997329 6.307839 -8.779695\nY Al Hg\n2 1 1\ndirect\n0.000000 0.234963 0.234963 Y\n0.000000 0.765037 0.765037 Y\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 Hg\n",
"nsites": 4,
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"formula_full": "Y2 Al1 Hg1",
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"updated_at": "2021-11-28T01:37:29.095000Z",
"spacegroup": 71
},
{
"id": "mp-1096689",
"created_at": "2022-09-04T14:40:23.074662Z",
"structure_string": "Y2 Pt1 Pb1\n1.0\n-5.451422 6.563724 9.281260\n5.451422 -6.563724 9.281260\n5.451422 6.563724 -9.281260\nY Pt Pb\n2 1 1\ndirect\n0.000000 0.236843 0.236843 Y\n0.000000 0.763157 0.763157 Y\n0.000000 0.000000 0.000000 Pt\n0.000000 0.500000 0.500000 Pb\n",
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"volume": 1328.3944233166535,
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"updated_at": "2021-11-28T01:35:02.776000Z",
"spacegroup": 71
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{
"id": "mp-1096535",
"created_at": "2022-09-04T14:40:42.051270Z",
"structure_string": "Tl2 Hg1 Bi1\n1.0\n-5.793842 6.365098 8.988672\n5.793842 -6.365098 8.988672\n5.793842 6.365098 -8.988672\nTl Hg Bi\n2 1 1\ndirect\n0.000000 0.256862 0.256862 Tl\n0.000000 0.743138 0.743138 Tl\n0.000000 0.000000 0.000000 Hg\n0.000000 0.500000 0.500000 Bi\n",
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"volume": 1325.950363756779,
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"updated_at": "2021-11-28T01:35:05.461000Z",
"spacegroup": 71
}
]
}