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{
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"results": [
{
"id": "mp-1093631",
"created_at": "2022-09-04T14:41:17.762349Z",
"structure_string": "Ba1 Hg2 Bi1\n1.0\n-5.992811 6.744829 9.402999\n5.992811 -6.744829 9.402999\n5.992811 6.744829 -9.402999\nBa Hg Bi\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.267672 0.267672 Hg\n0.000000 0.732328 0.732328 Hg\n0.000000 0.500000 0.500000 Bi\n",
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"elements": [
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"density": 0.8164414921943298,
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"volume": 1520.2951360975444,
"volume_molar": 228.88578265806922,
"formula_full": "Ba1 Hg2 Bi1",
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"spacegroup": 71
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{
"id": "mp-1093835",
"created_at": "2022-09-04T14:41:55.981325Z",
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"nsites": 4,
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"elements": [
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],
"chemical_system": "Hg-La-Pb",
"density": 0.747883006436318,
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"volume": 1522.2529930082353,
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"formula_full": "La2 Hg1 Pb1",
"formula_reduced": "La2HgPb",
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"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:26.863000Z",
"spacegroup": 71
},
{
"id": "mp-1096141",
"created_at": "2022-09-04T14:39:44.327040Z",
"structure_string": "Sr2 Li1 Ga1\n1.0\n-6.343284 6.716797 8.963921\n6.343284 -6.716797 8.963921\n6.343284 6.716797 -8.963921\nSr Li Ga\n2 1 1\ndirect\n0.265312 0.000000 0.265311 Sr\n0.734689 0.000000 0.734689 Sr\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Ga\n",
"nsites": 4,
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"elements": [
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"Li",
"Ga"
],
"chemical_system": "Ga-Li-Sr",
"density": 0.2738102933860131,
"density_atomic": 0.002618337348954047,
"volume": 1527.6870268828761,
"volume_molar": 229.9986578278646,
"formula_full": "Sr2 Li1 Ga1",
"formula_reduced": "Sr2LiGa",
"formula_anonymous": "ABC2",
"energy": -3.44992345,
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"is_stable": null,
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"energy_uncorrected": -3.44992345,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 1.9997779,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:31.127000Z",
"spacegroup": 71
},
{
"id": "mp-1097470",
"created_at": "2022-09-04T14:42:05.424395Z",
"structure_string": "Li1 La1 Tl2\n1.0\n-5.946364 6.769157 9.519408\n5.946364 -6.769157 9.519408\n5.946364 6.769157 -9.519408\nLi La Tl\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 La\n0.000000 0.233983 0.233983 Tl\n0.000000 0.766017 0.766017 Tl\n",
"nsites": 4,
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"elements": [
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"La",
"Tl"
],
"chemical_system": "La-Li-Tl",
"density": 0.6008736889529516,
"density_atomic": 0.0026097804980366756,
"volume": 1532.6959501035353,
"volume_molar": 230.75276884513565,
"formula_full": "Li1 La1 Tl2",
"formula_reduced": "LiLaTl2",
"formula_anonymous": "ABC2",
"energy": -6.00063972,
"energy_per_atom": -1.50015993,
"energy_above_hull": null,
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"energy_uncorrected": -6.00063972,
"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:35.110000Z",
"spacegroup": 71
},
{
"id": "mp-1093965",
"created_at": "2022-09-04T14:40:11.093926Z",
"structure_string": "Na2 Tl1 As1\n1.0\n-6.140253 6.611468 9.443766\n6.140253 -6.611468 9.443766\n6.140253 6.611468 -9.443766\nNa Tl As\n2 1 1\ndirect\n0.000000 0.234269 0.234269 Na\n0.000000 0.765731 0.765731 Na\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 As\n",
"nsites": 4,
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"elements": [
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"As"
],
"chemical_system": "As-Na-Tl",
"density": 0.3522272968231147,
"density_atomic": 0.0026083785269363498,
"volume": 1533.5197551630545,
"volume_molar": 230.87679559581625,
"formula_full": "Na2 Tl1 As1",
"formula_reduced": "Na2TlAs",
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"energy": -6.14303967,
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"energy_above_hull": null,
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"energy_uncorrected": -6.14303967,
"band_gap": 0.0161999999999999,
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"is_magnetic": true,
"total_magnetization": 1.9879089,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:55.346000Z",
"spacegroup": 71
},
{
"id": "mp-1096716",
"created_at": "2022-09-04T14:41:11.588042Z",
"structure_string": "Ca1 Y1 Cd2\n1.0\n-6.449112 6.484018 9.170540\n6.449112 -6.484018 9.170540\n6.449112 6.484018 -9.170540\nCa Y Cd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.500000 Y\n0.000000 0.255929 0.255929 Cd\n0.000000 0.744071 0.744071 Cd\n",
"nsites": 4,
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"elements": [
"Ca",
"Y",
"Cd"
],
"chemical_system": "Ca-Cd-Y",
"density": 0.38301437600139276,
"density_atomic": 0.002607720009356604,
"volume": 1533.9070090530577,
"volume_molar": 230.9350980317027,
"formula_full": "Ca1 Y1 Cd2",
"formula_reduced": "CaYCd2",
"formula_anonymous": "ABC2",
"energy": -4.22667022,
"energy_per_atom": -1.056667555,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -4.22667022,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 1.2437243,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:09.913000Z",
"spacegroup": 71
},
{
"id": "mp-1097457",
"created_at": "2022-09-04T14:44:26.932198Z",
"structure_string": "Sr2 Li1 Al1\n1.0\n-6.373902 6.682265 9.005028\n6.373902 -6.682265 9.005028\n6.373902 6.682265 -9.005028\nSr Li Al\n2 1 1\ndirect\n0.269793 0.000000 0.269793 Sr\n0.730207 0.000000 0.730207 Sr\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Al\n",
"nsites": 4,
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"elements": [
"Sr",
"Li",
"Al"
],
"chemical_system": "Al-Li-Sr",
"density": 0.2263908481033897,
"density_atomic": 0.002607269090633496,
"volume": 1534.1722932894922,
"volume_molar": 230.97503750703316,
"formula_full": "Sr2 Li1 Al1",
"formula_reduced": "Sr2LiAl",
"formula_anonymous": "ABC2",
"energy": -3.51819297,
"energy_per_atom": -0.8795482425,
"energy_above_hull": null,
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"energy_uncorrected": -3.51819297,
"band_gap": 0.0294999999999996,
"is_gap_direct": true,
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"total_magnetization": 2.0112578,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:35.277000Z",
"spacegroup": 71
},
{
"id": "mp-1096579",
"created_at": "2022-09-04T14:48:01.421852Z",
"structure_string": "K1 Ba1 Au2\n1.0\n-6.253271 6.592001 9.327025\n6.253271 -6.592001 9.327025\n6.253271 6.592001 -9.327025\nK Ba Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 K\n0.000000 0.500000 0.500000 Ba\n0.000000 0.251434 0.251434 Au\n0.000000 0.748566 0.748566 Au\n",
"nsites": 4,
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"elements": [
"K",
"Ba",
"Au"
],
"chemical_system": "Au-Ba-K",
"density": 0.6158420245174586,
"density_atomic": 0.0026009520412138792,
"volume": 1537.898406666959,
"volume_molar": 231.53601698820376,
"formula_full": "K1 Ba1 Au2",
"formula_reduced": "KBaAu2",
"formula_anonymous": "ABC2",
"energy": -8.05592849,
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"energy_above_hull": null,
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"energy_uncorrected": -8.05592849,
"band_gap": 0.1646999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.0000758,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:23.972000Z",
"spacegroup": 71
},
{
"id": "mp-1093796",
"created_at": "2022-09-04T14:47:10.296051Z",
"structure_string": "Sr1 Ca1 Pb2\n1.0\n-6.383069 6.429656 9.369479\n6.383069 -6.429656 9.369479\n6.383069 6.429656 -9.369479\nSr Ca Pb\n1 1 2\ndirect\n0.500000 0.000000 0.500000 Sr\n0.000000 0.000000 0.000000 Ca\n0.243709 0.000000 0.243709 Pb\n0.756291 0.000000 0.756291 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Ca",
"Pb"
],
"chemical_system": "Ca-Pb-Sr",
"density": 0.5852402565293496,
"density_atomic": 0.00260056241082329,
"volume": 1538.1288229624429,
"volume_molar": 231.5707069723238,
"formula_full": "Sr1 Ca1 Pb2",
"formula_reduced": "SrCaPb2",
"formula_anonymous": "ABC2",
"energy": -6.59608312,
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"energy_above_hull": null,
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"energy_uncorrected": -6.59608312,
"band_gap": 0.1047000000000002,
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"is_magnetic": true,
"total_magnetization": 4.0002454,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:53.532000Z",
"spacegroup": 71
},
{
"id": "mp-1095838",
"created_at": "2022-09-04T14:47:15.977204Z",
"structure_string": "Na2 Tl1 Hg1\n1.0\n-6.369666 6.538755 9.236986\n6.369666 -6.538755 9.236986\n6.369666 6.538755 -9.236986\nNa Tl Hg\n2 1 1\ndirect\n0.000000 0.249656 0.249656 Na\n0.000000 0.750344 0.750344 Na\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 4,
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"elements": [
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"Tl",
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],
"chemical_system": "Hg-Na-Tl",
"density": 0.48660685236228846,
"density_atomic": 0.002599309471098079,
"volume": 1538.870243992224,
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"formula_full": "Na2 Tl1 Hg1",
"formula_reduced": "Na2TlHg",
"formula_anonymous": "ABC2",
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:04.865000Z",
"spacegroup": 71
},
{
"id": "mp-1096448",
"created_at": "2022-09-04T14:39:38.090029Z",
"structure_string": "Ca1 Sc1 Tl2\n1.0\n-5.965728 6.762335 9.543433\n5.965728 -6.762335 9.543433\n5.965728 6.762335 -9.543433\nCa Sc Tl\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.500000 Sc\n0.000000 0.260943 0.260943 Tl\n0.000000 0.739057 0.739057 Tl\n",
"nsites": 4,
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"density": 0.5324463856228999,
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"volume": 1540.014287680453,
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"formula_full": "Ca1 Sc1 Tl2",
"formula_reduced": "CaScTl2",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:34:39.475000Z",
"spacegroup": 71
},
{
"id": "mp-1077305",
"created_at": "2022-09-04T14:42:29.172705Z",
"structure_string": "Tl2 Cl4\n1.0\n5.179284 16.892919 0.000000\n-5.179284 16.892919 0.000000\n0.000000 2.314405 13.235718\nTl Cl\n2 4\ndirect\n0.032923 0.032923 0.708384 Tl\n0.967077 0.967077 0.291616 Tl\n0.102114 0.102114 0.600275 Cl\n0.897886 0.897886 0.399725 Cl\n0.531818 0.531818 0.709293 Cl\n0.468182 0.468182 0.290707 Cl\n",
"nsites": 6,
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"elements": [
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"Cl"
],
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"density": 0.3947448730169604,
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"volume": 2316.0713084034237,
"volume_molar": 232.46179049004647,
"formula_full": "Tl2 Cl4",
"formula_reduced": "TlCl2",
"formula_anonymous": "AB2",
"energy": -14.013476649999998,
"energy_per_atom": -2.3355794416666664,
"energy_above_hull": null,
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"energy_uncorrected": -11.55747665,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:47.977000Z",
"spacegroup": 12
}
]
}