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{
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"results": [
{
"id": "mp-1095801",
"created_at": "2022-09-04T14:43:58.507406Z",
"structure_string": "Y2 Zn1 Hg1\n1.0\n-6.030603 6.285285 8.966578\n6.030603 -6.285285 8.966578\n6.030603 6.285285 -8.966578\nY Zn Hg\n2 1 1\ndirect\n0.000000 0.251112 0.251112 Y\n0.000000 0.748888 0.748888 Y\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Hg\n",
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{
"id": "mp-1098699",
"created_at": "2022-09-04T14:41:12.766870Z",
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"nsites": 4,
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"elements": [
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"updated_at": "2021-11-28T01:35:18.215000Z",
"spacegroup": 71
},
{
"id": "mp-1093587",
"created_at": "2022-09-04T14:41:21.143738Z",
"structure_string": "La2 Hg1 Au1\n1.0\n-5.698566 6.530020 9.132342\n5.698566 -6.530020 9.132342\n5.698566 6.530020 -9.132342\nLa Hg Au\n2 1 1\ndirect\n0.000000 0.237304 0.237304 La\n0.000000 0.762696 0.762696 La\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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"chemical_system": "Au-Hg-La",
"density": 0.8250248094271113,
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"volume": 1359.3217078957503,
"volume_molar": 204.6506665767953,
"formula_full": "La2 Hg1 Au1",
"formula_reduced": "La2HgAu",
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"energy": -7.54235148,
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"energy_uncorrected": -7.54235148,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:15.912000Z",
"spacegroup": 71
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{
"id": "mp-1093814",
"created_at": "2022-09-04T14:44:10.014289Z",
"structure_string": "Na1 Mg1 In2\n1.0\n-6.137566 6.288779 8.803244\n6.137566 -6.288779 8.803244\n6.137566 6.288779 -8.803244\nNa Mg In\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.500000 0.500000 Mg\n0.000000 0.259912 0.259912 In\n0.000000 0.740088 0.740088 In\n",
"nsites": 4,
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"elements": [
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"Mg",
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],
"chemical_system": "In-Mg-Na",
"density": 0.3383413442844207,
"density_atomic": 0.002943030427727461,
"volume": 1359.1432702544994,
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"formula_full": "Na1 Mg1 In2",
"formula_reduced": "NaMgIn2",
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"energy_uncorrected": -3.91853416,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:29.478000Z",
"spacegroup": 71
},
{
"id": "mp-1096510",
"created_at": "2022-09-04T14:40:22.315184Z",
"structure_string": "Y2 Sn1 Hg1\n1.0\n-6.024798 6.319706 8.921769\n6.024798 -6.319706 8.921769\n6.024798 6.319706 -8.921769\nY Sn Hg\n2 1 1\ndirect\n0.000000 0.233193 0.233193 Y\n0.000000 0.766807 0.766807 Y\n0.000000 0.000000 0.000000 Sn\n0.000000 0.500000 0.500000 Hg\n",
"nsites": 4,
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"elements": [
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"density": 0.607509048963736,
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"volume": 1358.7837081966068,
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"formula_full": "Y2 Sn1 Hg1",
"formula_reduced": "Y2SnHg",
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"energy_uncorrected": -10.52790831,
"band_gap": 0.1323000000000003,
"is_gap_direct": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:52.738000Z",
"spacegroup": 71
},
{
"id": "mp-1097341",
"created_at": "2022-09-04T14:40:36.829506Z",
"structure_string": "La1 Cd2 Ag1\n1.0\n-5.942965 6.377883 8.961954\n5.942965 -6.377883 8.961954\n5.942965 6.377883 -8.961954\nLa Cd Ag\n1 2 1\ndirect\n0.000000 0.500000 0.500000 La\n0.000000 0.231785 0.231785 Cd\n0.000000 0.768215 0.768215 Cd\n0.000000 0.000000 0.000000 Ag\n",
"nsites": 4,
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"elements": [
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"Cd",
"Ag"
],
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"density": 0.5763369767867764,
"density_atomic": 0.0029438628226609864,
"volume": 1358.758964313548,
"volume_molar": 204.56594355020007,
"formula_full": "La1 Cd2 Ag1",
"formula_reduced": "LaCd2Ag",
"formula_anonymous": "ABC2",
"energy": -4.0535213,
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"band_gap": 0.0950999999999999,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:06.597000Z",
"spacegroup": 71
},
{
"id": "mp-1093753",
"created_at": "2022-09-04T14:42:15.544410Z",
"structure_string": "Mg1 Cd1 Hg2\n1.0\n-5.951663 6.762131 8.415275\n5.951663 -6.762131 8.415275\n5.951663 6.762131 -8.415275\nMg Cd Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Cd\n0.248579 0.000000 0.248579 Hg\n0.751421 0.000000 0.751421 Hg\n",
"nsites": 4,
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"elements": [
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"Cd",
"Hg"
],
"chemical_system": "Cd-Hg-Mg",
"density": 0.6593214361824085,
"density_atomic": 0.0029526350790100315,
"volume": 1354.7221017712532,
"volume_molar": 203.9581796887383,
"formula_full": "Mg1 Cd1 Hg2",
"formula_reduced": "MgCdHg2",
"formula_anonymous": "ABC2",
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"band_gap": 1.38,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:42.457000Z",
"spacegroup": 71
},
{
"id": "mp-1096719",
"created_at": "2022-09-04T14:39:32.450449Z",
"structure_string": "Zr1 Sc1 Tl2\n1.0\n-5.874359 6.313516 9.126803\n5.874359 -6.313516 9.126803\n5.874359 6.313516 -9.126803\nZr Sc Tl\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Sc\n0.000000 0.249291 0.249291 Tl\n0.000000 0.750709 0.750709 Tl\n",
"nsites": 4,
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"elements": [
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"Sc",
"Tl"
],
"chemical_system": "Sc-Tl-Zr",
"density": 0.6683324332583988,
"density_atomic": 0.0029542657125558518,
"volume": 1353.9743507158814,
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"formula_full": "Zr1 Sc1 Tl2",
"formula_reduced": "ZrScTl2",
"formula_anonymous": "ABC2",
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"band_gap": 0.0,
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"is_magnetic": true,
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"updated_at": "2021-11-28T01:34:23.936000Z",
"spacegroup": 71
},
{
"id": "mp-1096197",
"created_at": "2022-09-04T14:45:59.071454Z",
"structure_string": "Ti2 Nb1 Mo1\n1.0\n-4.501337 7.174377 10.480420\n4.501337 -7.174377 10.480420\n4.501337 7.174377 -10.480420\nTi Nb Mo\n2 1 1\ndirect\n0.000000 0.251461 0.251461 Ti\n0.000000 0.748539 0.748539 Ti\n0.000000 0.000000 0.000000 Nb\n0.000000 0.500000 0.500000 Mo\n",
"nsites": 4,
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"elements": [
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"Nb",
"Mo"
],
"chemical_system": "Mo-Nb-Ti",
"density": 0.3490516145832397,
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"volume": 1353.8308342796129,
"volume_molar": 203.82399623150155,
"formula_full": "Ti2 Nb1 Mo1",
"formula_reduced": "Ti2NbMo",
"formula_anonymous": "ABC2",
"energy": -20.79117674,
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"updated_at": "2021-11-28T01:37:16.364000Z",
"spacegroup": 71
},
{
"id": "mp-1093905",
"created_at": "2022-09-04T14:43:53.576778Z",
"structure_string": "Li1 La2 Tl1\n1.0\n-6.004615 6.312828 8.919870\n6.004615 -6.312828 8.919870\n6.004615 6.312828 -8.919870\nLi La Tl\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.256999 0.256999 La\n0.000000 0.743001 0.743001 La\n0.000000 0.500000 0.500000 Tl\n",
"nsites": 4,
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"elements": [
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"volume": 1352.4699975266449,
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"formula_full": "Li1 La2 Tl1",
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"updated_at": "2021-11-28T01:36:23.141000Z",
"spacegroup": 71
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{
"id": "mp-1093811",
"created_at": "2022-09-04T14:47:26.063284Z",
"structure_string": "Y2 Cd1 Au1\n1.0\n-5.952070 6.344301 8.952714\n5.952070 -6.344301 8.952714\n5.952070 6.344301 -8.952714\nY Cd Au\n2 1 1\ndirect\n0.000000 0.272604 0.272604 Y\n0.000000 0.727396 0.727396 Y\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Au\n",
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"density": 0.5982466830498043,
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"formula_full": "Y2 Cd1 Au1",
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"updated_at": "2021-11-28T01:38:03.577000Z",
"spacegroup": 71
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{
"id": "mp-1097562",
"created_at": "2022-09-04T14:48:28.274140Z",
"structure_string": "Ca1 Hg2 Pb1\n1.0\n-6.030871 6.304210 8.885748\n6.030871 -6.304210 8.885748\n6.030871 6.304210 -8.885748\nCa Hg Pb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.256100 0.256100 Hg\n0.000000 0.743900 0.743900 Hg\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
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"elements": [
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"density": 0.7968310623763107,
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"volume": 1351.3401935387642,
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"formula_full": "Ca1 Hg2 Pb1",
"formula_reduced": "CaHg2Pb",
"formula_anonymous": "ABC2",
"energy": -2.92022167,
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"band_gap": 0.2955000000000001,
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"updated_at": "2021-11-28T01:39:15.845000Z",
"spacegroup": 71
}
]
}