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{
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{
"id": "mp-1097399",
"created_at": "2022-09-04T14:43:53.535547Z",
"structure_string": "Li1 In1 Hg2\n1.0\n-5.780514 5.799187 8.289156\n5.780514 -5.799187 8.289156\n5.780514 5.799187 -8.289156\nLi In Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 In\n0.000000 0.233308 0.233308 Hg\n0.000000 0.766692 0.766692 Hg\n",
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{
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"nsites": 4,
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"elements": [
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"density": 0.923498460342543,
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"volume": 1110.1069199889464,
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"formula_full": "Hf1 Sc1 Au2",
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"updated_at": "2021-11-28T01:35:06.976000Z",
"spacegroup": 71
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{
"id": "mp-1097580",
"created_at": "2022-09-04T14:47:19.195016Z",
"structure_string": "Li2 Tl1 Sb1\n1.0\n-5.634010 5.897992 8.347853\n5.634010 -5.897992 8.347853\n5.634010 5.897992 -8.347853\nLi Tl Sb\n2 1 1\ndirect\n0.000000 0.241484 0.241484 Li\n0.000000 0.758516 0.758516 Li\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Li-Sb-Tl",
"density": 0.5088663735075998,
"density_atomic": 0.003604984605971984,
"volume": 1109.574779701871,
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"formula_full": "Li2 Tl1 Sb1",
"formula_reduced": "Li2TlSb",
"formula_anonymous": "ABC2",
"energy": -7.05559538,
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"energy_uncorrected": -6.86359538,
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"total_magnetization": 1.7367956,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:02.272000Z",
"spacegroup": 71
},
{
"id": "mp-1093980",
"created_at": "2022-09-04T14:48:06.826402Z",
"structure_string": "Sc2 Ga1 Hg1\n1.0\n-5.749744 5.779442 8.346705\n5.749744 -5.779442 8.346705\n5.749744 5.779442 -8.346705\nSc Ga Hg\n2 1 1\ndirect\n0.000000 0.231699 0.231699 Sc\n0.000000 0.768301 0.768301 Sc\n0.000000 0.000000 0.000000 Ga\n0.000000 0.500000 0.500000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Ga",
"Hg"
],
"chemical_system": "Ga-Hg-Sc",
"density": 0.5391545333118021,
"density_atomic": 0.0036053756163321247,
"volume": 1109.4544440474529,
"volume_molar": 167.03227072153265,
"formula_full": "Sc2 Ga1 Hg1",
"formula_reduced": "Sc2GaHg",
"formula_anonymous": "ABC2",
"energy": -8.5343415,
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"energy_uncorrected": -8.5343415,
"band_gap": 0.1114999999999999,
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"updated_at": "2021-11-28T01:38:34.038000Z",
"spacegroup": 71
},
{
"id": "mp-1097282",
"created_at": "2022-09-04T14:39:40.260156Z",
"structure_string": "Li1 Cd1 Hg2\n1.0\n-5.757913 5.836900 8.247286\n5.757913 -5.836900 8.247286\n5.757913 5.836900 -8.247286\nLi Cd Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Cd\n0.000000 0.237947 0.237947 Hg\n0.000000 0.762053 0.762053 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Cd",
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"chemical_system": "Cd-Hg-Li",
"density": 0.779611312960708,
"density_atomic": 0.0036077928475945864,
"volume": 1108.7111064779976,
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"formula_full": "Li1 Cd1 Hg2",
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"energy_uncorrected": -1.7696006,
"band_gap": 0.0521,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:40.454000Z",
"spacegroup": 71
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{
"id": "mp-1096309",
"created_at": "2022-09-04T14:42:22.732407Z",
"structure_string": "Sc2 Hg1 Pd1\n1.0\n-5.411093 6.012537 8.517888\n5.411093 -6.012537 8.517888\n5.411093 6.012537 -8.517888\nSc Hg Pd\n2 1 1\ndirect\n0.000000 0.217039 0.217039 Sc\n0.000000 0.782961 0.782961 Sc\n0.000000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 4,
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"elements": [
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"Hg",
"Pd"
],
"chemical_system": "Hg-Pd-Sc",
"density": 0.5945924620149997,
"density_atomic": 0.0036084884083639615,
"volume": 1108.4973948450465,
"volume_molar": 166.8881835962542,
"formula_full": "Sc2 Hg1 Pd1",
"formula_reduced": "Sc2HgPd",
"formula_anonymous": "ABC2",
"energy": -11.56451425,
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"energy_uncorrected": -11.56451425,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:43.263000Z",
"spacegroup": 71
},
{
"id": "mp-1097424",
"created_at": "2022-09-04T14:46:25.142375Z",
"structure_string": "Y1 Zn2 Ag1\n1.0\n-5.736728 5.890208 8.199925\n5.736728 -5.890208 8.199925\n5.736728 5.890208 -8.199925\nY Zn Ag\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Y\n0.000000 0.275217 0.275217 Zn\n0.000000 0.724783 0.724783 Zn\n0.000000 0.500000 0.500000 Ag\n",
"nsites": 4,
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"elements": [
"Y",
"Zn",
"Ag"
],
"chemical_system": "Ag-Y-Zn",
"density": 0.49081484491384736,
"density_atomic": 0.003609069370505426,
"volume": 1108.3189568727594,
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"formula_full": "Y1 Zn2 Ag1",
"formula_reduced": "YZn2Ag",
"formula_anonymous": "ABC2",
"energy": -5.64694633,
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"energy_uncorrected": -5.64694633,
"band_gap": 0.3673000000000002,
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"total_magnetization": 1.78e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:36.109000Z",
"spacegroup": 71
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{
"id": "mp-1096260",
"created_at": "2022-09-04T14:46:05.069323Z",
"structure_string": "Li2 In1 Pb1\n1.0\n-5.742488 5.819797 8.290064\n5.742488 -5.819797 8.290064\n5.742488 5.819797 -8.290064\nLi In Pb\n2 1 1\ndirect\n0.000000 0.256150 0.256150 Li\n0.000000 0.743850 0.743850 Li\n0.000000 0.000000 0.000000 In\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
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"elements": [
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"density": 0.503307374756521,
"density_atomic": 0.0036093931019675913,
"volume": 1108.219550211773,
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"formula_full": "Li2 In1 Pb1",
"formula_reduced": "Li2InPb",
"formula_anonymous": "ABC2",
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"energy_above_hull": null,
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"energy_uncorrected": -5.87968155,
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"updated_at": "2021-11-28T01:37:25.249000Z",
"spacegroup": 71
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{
"id": "mp-1093673",
"created_at": "2022-09-04T14:43:52.870720Z",
"structure_string": "Li1 Ca1 Au2\n1.0\n-5.359469 6.046168 8.549620\n5.359469 -6.046168 8.549620\n5.359469 6.046168 -8.549620\nLi Ca Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Ca\n0.000000 0.239345 0.239345 Au\n0.000000 0.760655 0.760655 Au\n",
"nsites": 4,
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"elements": [
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"Ca",
"Au"
],
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"density": 0.6607417858878887,
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"volume": 1108.17609433594,
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"formula_full": "Li1 Ca1 Au2",
"formula_reduced": "LiCaAu2",
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"updated_at": "2021-11-28T01:36:28.076000Z",
"spacegroup": 71
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{
"id": "mp-1095956",
"created_at": "2022-09-04T14:45:53.697377Z",
"structure_string": "Y1 Ag1 Au2\n1.0\n-5.403409 6.017068 8.516633\n5.403409 -6.017068 8.516633\n5.403409 6.017068 -8.516633\nY Ag Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.000000 0.500000 0.500000 Ag\n0.000000 0.250467 0.250467 Au\n0.000000 0.749533 0.749533 Au\n",
"nsites": 4,
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"formula_full": "Y1 Ag1 Au2",
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"updated_at": "2021-11-28T01:37:05.085000Z",
"spacegroup": 71
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{
"id": "mp-1097523",
"created_at": "2022-09-04T14:46:38.093674Z",
"structure_string": "Mg2 In1 Pd1\n1.0\n-5.586519 5.924461 8.361275\n5.586519 -5.924461 8.361275\n5.586519 5.924461 -8.361275\nMg In Pd\n2 1 1\ndirect\n0.000000 0.221316 0.221316 Mg\n0.000000 0.778684 0.778684 Mg\n0.000000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 4,
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"volume": 1106.9362854768012,
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"formula_full": "Mg2 In1 Pd1",
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"updated_at": "2021-11-28T01:37:43.988000Z",
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{
"id": "mp-1096371",
"created_at": "2022-09-04T14:45:34.052677Z",
"structure_string": "Mg2 Ag1 Hg1\n1.0\n-5.564453 5.931409 8.383128\n5.564453 -5.931409 8.383128\n5.564453 5.931409 -8.383128\nMg Ag Hg\n2 1 1\ndirect\n0.000000 0.240443 0.240443 Mg\n0.000000 0.759557 0.759557 Mg\n0.000000 0.000000 0.000000 Ag\n0.000000 0.500000 0.500000 Hg\n",
"nsites": 4,
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"volume": 1106.7421213184778,
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"formula_full": "Mg2 Ag1 Hg1",
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"updated_at": "2021-11-28T01:37:04.854000Z",
"spacegroup": 71
}
]
}