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{
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"results": [
{
"id": "mp-1096694",
"created_at": "2022-09-04T14:46:54.279690Z",
"structure_string": "Sr2 Tl1 Hg1\n1.0\n-6.738291 6.865182 9.662687\n6.738291 -6.865182 9.662687\n6.738291 6.865182 -9.662687\nSr Tl Hg\n2 1 1\ndirect\n0.000000 0.260697 0.260697 Sr\n0.000000 0.739303 0.739303 Sr\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Hg\n",
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{
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"structure_string": "Tl1\n1.0\n0.000000 2.496600 2.496600\n2.496600 0.000000 2.496600\n2.496600 2.496600 0.000000\nTl\n1\ndirect\n0.000000 0.000000 0.000000 Tl\n",
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"elements": [
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"formula_full": "Tl1",
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"updated_at": "2021-11-28T01:35:18.439000Z",
"spacegroup": 225
},
{
"id": "mp-1408",
"created_at": "2022-09-04T14:47:55.747892Z",
"structure_string": "Mg1 Hg1\n1.0\n3.499559 0.000000 0.000000\n0.000000 3.499559 0.000000\n0.000000 0.000000 3.499559\nMg Hg\n1 1\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 2,
"nelements": 2,
"elements": [
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],
"chemical_system": "Hg-Mg",
"density": 8.713425817011279,
"density_atomic": 0.04666486741812279,
"volume": 42.85879529196474,
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"formula_full": "Mg1 Hg1",
"formula_reduced": "MgHg",
"formula_anonymous": "AB",
"energy": -2.33452761,
"energy_per_atom": -1.167263805,
"energy_above_hull": null,
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"energy_uncorrected": -2.33452761,
"band_gap": 0.0,
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"total_magnetization": 0.000368,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:18.130000Z",
"spacegroup": 221
},
{
"id": "mp-1095990",
"created_at": "2022-09-04T14:39:27.547239Z",
"structure_string": "Ba2 Na1 Li1\n1.0\n-7.487970 7.796809 10.629054\n7.487970 -7.796809 10.629054\n7.487970 7.796809 -10.629054\nBa Na Li\n2 1 1\ndirect\n0.756389 0.000000 0.756389 Ba\n0.243611 0.000000 0.243611 Ba\n0.500000 0.000000 0.500000 Na\n0.000000 0.000000 0.000000 Li\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Na",
"Li"
],
"chemical_system": "Ba-Li-Na",
"density": 0.20376129132168608,
"density_atomic": 0.0016114780540120541,
"volume": 2482.1932821494565,
"volume_molar": 373.70293346576057,
"formula_full": "Ba2 Na1 Li1",
"formula_reduced": "Ba2NaLi",
"formula_anonymous": "ABC2",
"energy": -2.31583272,
"energy_per_atom": -0.57895818,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -2.31583272,
"band_gap": 0.1102,
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"total_magnetization": 0.0035238,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:32.090000Z",
"spacegroup": 71
},
{
"id": "mp-1096761",
"created_at": "2022-09-04T14:47:01.360339Z",
"structure_string": "K1 Rb2 Na1\n1.0\n-7.847777 8.597362 11.123070\n7.847777 -8.597362 11.123070\n7.847777 8.597362 -11.123070\nK Rb Na\n1 2 1\ndirect\n0.500000 0.000000 0.500000 K\n0.228982 0.000000 0.228982 Rb\n0.771018 0.000000 0.771018 Rb\n0.000000 0.000000 0.000000 Na\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Rb",
"Na"
],
"chemical_system": "K-Na-Rb",
"density": 0.1288999073123344,
"density_atomic": 0.001332488478020395,
"volume": 3001.902129722413,
"volume_molar": 451.9469293233038,
"formula_full": "K1 Rb2 Na1",
"formula_reduced": "KRb2Na",
"formula_anonymous": "ABC2",
"energy": -2.3038454,
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"energy_uncorrected": -2.3038454,
"band_gap": 0.0781,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:50.010000Z",
"spacegroup": 71
},
{
"id": "mp-1096317",
"created_at": "2022-09-04T14:44:19.771428Z",
"structure_string": "Mg2 Ga1 Hg1\n1.0\n-5.400412 5.714635 7.875972\n5.400412 -5.714635 7.875972\n5.400412 5.714635 -7.875972\nMg Ga Hg\n2 1 1\ndirect\n0.000000 0.241674 0.241674 Mg\n0.000000 0.758326 0.758326 Mg\n0.000000 0.000000 0.000000 Ga\n0.000000 0.500000 0.500000 Hg\n",
"nsites": 4,
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"elements": [
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"Ga",
"Hg"
],
"chemical_system": "Ga-Hg-Mg",
"density": 0.5446975137580196,
"density_atomic": 0.004114153072191612,
"volume": 972.2535670918044,
"volume_molar": 146.37619588597371,
"formula_full": "Mg2 Ga1 Hg1",
"formula_reduced": "Mg2GaHg",
"formula_anonymous": "ABC2",
"energy": -2.26507654,
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"energy_above_hull": null,
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"decomposes_to": null,
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"energy_uncorrected": -2.26507654,
"band_gap": 0.0684999999999997,
"is_gap_direct": true,
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"total_magnetization": 1.0007182,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:30.899000Z",
"spacegroup": 71
},
{
"id": "mp-1095951",
"created_at": "2022-09-04T14:44:25.202673Z",
"structure_string": "Ba1 In1 Hg2\n1.0\n-6.260210 6.853610 9.740363\n6.260210 -6.853610 9.740363\n6.260210 6.853610 -9.740363\nBa In Hg\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 In\n0.000000 0.230336 0.230336 Hg\n0.000000 0.769664 0.769664 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"In",
"Hg"
],
"chemical_system": "Ba-Hg-In",
"density": 0.6489854369384127,
"density_atomic": 0.0023928560234393868,
"volume": 1671.642573066546,
"volume_molar": 251.6716718853831,
"formula_full": "Ba1 In1 Hg2",
"formula_reduced": "BaInHg2",
"formula_anonymous": "ABC2",
"energy": -2.23820013,
"energy_per_atom": -0.5595500325,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -2.23820013,
"band_gap": 0.0,
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"total_magnetization": 1.0602299,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:35.621000Z",
"spacegroup": 71
},
{
"id": "mp-23907",
"created_at": "2022-09-04T14:47:07.909560Z",
"structure_string": "H2\n1.0\n1.950199 -3.377844 0.000000\n1.950199 3.377844 0.000000\n0.000000 0.000000 6.355691\nH\n2\ndirect\n0.333333 0.666667 0.250000 H\n0.666667 0.333333 0.750000 H\n",
"nsites": 2,
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"elements": [
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"chemical_system": "H",
"density": 0.03997628985771613,
"density_atomic": 0.023884640421942032,
"volume": 83.73582204581426,
"volume_molar": 25.213445350710234,
"formula_full": "H2",
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"formula_anonymous": "A",
"energy": -2.23482046,
"energy_per_atom": -1.11741023,
"energy_above_hull": null,
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"band_gap": 7.4848,
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"is_theoretical": false,
"updated_at": "2021-11-28T01:37:54.863000Z",
"spacegroup": 194
},
{
"id": "mp-1097519",
"created_at": "2022-09-04T14:41:58.677761Z",
"structure_string": "Na1 Sr2 Li1\n1.0\n-7.203664 7.390764 10.213560\n7.203664 -7.390764 10.213560\n7.203664 7.390764 -10.213560\nNa Sr Li\n1 2 1\ndirect\n0.500000 0.000000 0.500000 Na\n0.755947 0.000000 0.755947 Sr\n0.244053 0.000000 0.244053 Sr\n0.000000 0.000000 0.000000 Li\n",
"nsites": 4,
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"elements": [
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"Sr",
"Li"
],
"chemical_system": "Li-Na-Sr",
"density": 0.15663350485159547,
"density_atomic": 0.0018389929863491018,
"volume": 2175.103455908813,
"volume_molar": 327.46947947613313,
"formula_full": "Na1 Sr2 Li1",
"formula_reduced": "NaSr2Li",
"formula_anonymous": "ABC2",
"energy": -2.23381791,
"energy_per_atom": -0.5584544775,
"energy_above_hull": null,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:32.433000Z",
"spacegroup": 71
},
{
"id": "mp-570752",
"created_at": "2022-09-04T14:39:08.729714Z",
"structure_string": "H2\n1.0\n2.565599 -4.443747 0.000000\n2.565599 4.443747 0.000000\n0.000000 0.000000 3.811892\nH\n2\ndirect\n0.333333 0.666667 0.250000 H\n0.666667 0.333333 0.750000 H\n",
"nsites": 2,
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"elements": [
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"volume": 86.91779209193203,
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"formula_full": "H2",
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"energy": -2.22412334,
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"updated_at": "2021-11-28T01:34:30.676000Z",
"spacegroup": 194
},
{
"id": "mp-1039157",
"created_at": "2022-09-04T14:48:10.746599Z",
"structure_string": "Mg1 Cd1\n1.0\n0.000000 2.967908 2.967908\n2.967908 0.000000 2.967908\n2.967908 2.967908 0.000000\nMg Cd\n1 1\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 2,
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"elements": [
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"density": 4.341973233803538,
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"volume": 52.28550403347735,
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"formula_full": "Mg1 Cd1",
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"energy": -2.22348702,
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"updated_at": "2021-11-28T01:38:26.073000Z",
"spacegroup": 225
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{
"id": "mp-1096633",
"created_at": "2022-09-04T14:42:17.314316Z",
"structure_string": "K2 Na1 Hg1\n1.0\n-6.936203 7.334759 9.804301\n6.936203 -7.334759 9.804301\n6.936203 7.334759 -9.804301\nK Na Hg\n2 1 1\ndirect\n0.251699 0.000000 0.251699 K\n0.748301 0.000000 0.748301 K\n0.000000 0.000000 0.000000 Na\n0.500000 0.000000 0.500000 Hg\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Hg-K-Na",
"density": 0.25115975780826716,
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"volume": 1995.1900532914656,
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"formula_full": "K2 Na1 Hg1",
"formula_reduced": "K2NaHg",
"formula_anonymous": "ABC2",
"energy": -2.21979183,
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"updated_at": "2021-11-28T01:35:42.228000Z",
"spacegroup": 71
}
]
}