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{
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"results": [
{
"id": "mp-1096229",
"created_at": "2022-09-04T14:43:01.350172Z",
"structure_string": "La2 Zn1 In1\n1.0\n-5.671185 5.930050 8.613163\n5.671185 -5.930050 8.613163\n5.671185 5.930050 -8.613163\nLa Zn In\n2 1 1\ndirect\n0.000000 0.241901 0.241901 La\n0.000000 0.758099 0.758099 La\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 In\n",
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{
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"structure_string": "Tl1 Sn1\n1.0\n1.730070 2.981763 0.000000\n-1.730070 2.981763 0.000000\n0.000000 0.759963 5.744318\nTl Sn\n1 1\ndirect\n0.332386 0.332386 0.751489 Tl\n0.667612 0.667612 0.248510 Sn\n",
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"spacegroup": 8
},
{
"id": "mp-1094830",
"created_at": "2022-09-04T14:40:37.007748Z",
"structure_string": "Mg1 Cd5\n1.0\n1.598064 5.894294 0.000000\n-1.598064 5.894294 0.000000\n0.000000 2.024227 7.088267\nMg Cd\n1 5\ndirect\n0.611629 0.611629 0.276264 Mg\n0.001195 0.001195 0.003695 Cd\n0.332226 0.332226 0.333150 Cd\n0.945915 0.945915 0.609462 Cd\n0.666648 0.666648 0.662514 Cd\n0.275720 0.275720 0.948249 Cd\n",
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"volume": 133.5352814387946,
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"formula_full": "Mg1 Cd5",
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"updated_at": "2021-11-28T01:35:05.369000Z",
"spacegroup": 8
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{
"id": "mp-1206794",
"created_at": "2022-09-04T14:42:04.582394Z",
"structure_string": "Li1 Au1\n1.0\n3.144879 0.000000 0.000000\n0.000000 3.144879 0.000000\n0.000000 0.000000 3.144879\nLi Au\n1 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Au\n",
"nsites": 2,
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"elements": [
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"chemical_system": "Au-Li",
"density": 10.886057474442683,
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"volume": 31.103683321061062,
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"formula_full": "Li1 Au1",
"formula_reduced": "LiAu",
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"updated_at": "2021-11-28T01:35:38.542000Z",
"spacegroup": 221
},
{
"id": "mp-1097602",
"created_at": "2022-09-04T14:41:10.758351Z",
"structure_string": "La2 Mg1 Al1\n1.0\n-6.137076 7.376686 9.443863\n6.137076 -7.376686 9.443863\n6.137076 7.376686 -9.443863\nLa Mg Al\n2 1 1\ndirect\n0.000000 0.267876 0.267876 La\n0.000000 0.732124 0.732124 La\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Al\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Al-La-Mg",
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"volume": 1710.1431632176273,
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"formula_full": "La2 Mg1 Al1",
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"updated_at": "2021-11-28T01:35:15.302000Z",
"spacegroup": 71
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{
"id": "mp-23251",
"created_at": "2022-09-04T14:47:23.211334Z",
"structure_string": "K1 Br1\n1.0\n0.000000 3.351538 3.351538\n3.351538 0.000000 3.351538\n3.351538 3.351538 0.000000\nK Br\n1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 Br\n",
"nsites": 2,
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"elements": [
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"density": 2.624472422104685,
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"volume": 75.29435878270051,
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"formula_full": "K1 Br1",
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"updated_at": "2021-11-28T01:38:05.626000Z",
"spacegroup": 225
},
{
"id": "mp-1183297",
"created_at": "2022-09-04T14:42:43.283206Z",
"structure_string": "Ba1 Pr1\n1.0\n4.003787 -0.000214 0.000667\n-2.002079 3.467216 -0.000662\n0.001107 -0.000631 6.579148\nBa Pr\n1 1\ndirect\n0.666677 0.333325 0.749997 Ba\n0.333321 0.666673 0.250002 Pr\n",
"nsites": 2,
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"elements": [
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"density_atomic": 0.021898879631149788,
"volume": 91.32887315180841,
"volume_molar": 27.499766478618753,
"formula_full": "Ba1 Pr1",
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"energy": -6.27205705,
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"energy_above_hull": null,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:59.026000Z",
"spacegroup": 187
},
{
"id": "mp-2556",
"created_at": "2022-09-04T14:45:11.474633Z",
"structure_string": "Tl1 Sn1\n1.0\n3.347873 0.000000 0.000000\n0.000000 3.347873 0.000000\n0.000000 0.000000 5.290804\nTl Sn\n1 1\ndirect\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 2,
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"elements": [
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"chemical_system": "Sn-Tl",
"density": 9.047267403417562,
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"volume": 59.30067310755621,
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"formula_full": "Tl1 Sn1",
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"energy": -6.27700514,
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"updated_at": "2021-11-28T01:36:51.200000Z",
"spacegroup": 123
},
{
"id": "mp-1183305",
"created_at": "2022-09-04T14:39:12.395694Z",
"structure_string": "Ba1 Sr1 Hg2\n1.0\n0.000000 4.127551 4.127551\n4.127551 0.000000 4.127551\n4.127551 4.127551 0.000000\nBa Sr Hg\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Sr\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n",
"nsites": 4,
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"elements": [
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"Sr",
"Hg"
],
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"density": 7.392718839983788,
"density_atomic": 0.02844151008908509,
"volume": 140.63950850257658,
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"formula_full": "Ba1 Sr1 Hg2",
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"formula_anonymous": "ABC2",
"energy": -6.27717576,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:34:31.193000Z",
"spacegroup": 225
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{
"id": "mp-1093705",
"created_at": "2022-09-04T14:42:47.106344Z",
"structure_string": "K2 Hg1 Se1\n1.0\n-6.365558 6.783296 7.330611\n6.365558 -6.783296 7.330611\n6.365558 6.783296 -7.330611\nK Hg Se\n2 1 1\ndirect\n0.209359 0.000000 0.209359 K\n0.790641 0.000000 0.790641 K\n0.500000 0.000000 0.500000 Hg\n0.000000 0.000000 0.000000 Se\n",
"nsites": 4,
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"elements": [
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"density": 0.46918832695965723,
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"volume": 1266.127418584313,
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"formula_full": "K2 Hg1 Se1",
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"updated_at": "2021-11-28T01:35:50.179000Z",
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{
"id": "mp-31473",
"created_at": "2022-09-04T14:42:09.617966Z",
"structure_string": "K2 Hg7\n1.0\n3.571655 -6.186288 0.000000\n3.571655 6.186288 0.000000\n0.000000 0.000000 6.557126\nK Hg\n2 7\ndirect\n0.333333 0.666667 0.841138 K\n0.666667 0.333333 0.158862 K\n0.182049 0.364099 0.332506 Hg\n0.635901 0.817951 0.332506 Hg\n0.182049 0.817951 0.332506 Hg\n0.817951 0.635901 0.667494 Hg\n0.817951 0.182049 0.667494 Hg\n0.364099 0.182049 0.667494 Hg\n0.000000 0.000000 0.000000 Hg\n",
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"density": 8.494735057000101,
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"volume": 289.76315473570656,
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"formula_full": "K2 Hg7",
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{
"id": "mp-1187079",
"created_at": "2022-09-04T14:45:25.313953Z",
"structure_string": "Sr2 Cd1 Hg1\n1.0\n0.000000 4.039283 4.039283\n4.039283 0.000000 4.039283\n4.039283 4.039283 0.000000\nSr Cd Hg\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Sr\n0.250000 0.250000 0.250000 Sr\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Hg\n",
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"formula_full": "Sr2 Cd1 Hg1",
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"updated_at": "2021-11-28T01:36:54.074000Z",
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]
}