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{
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"results": [
{
"id": "mp-1093771",
"created_at": "2022-09-04T14:43:00.799667Z",
"structure_string": "Sr2 Zn1 Ag1\n1.0\n-6.536265 6.721546 9.241152\n6.536265 -6.721546 9.241152\n6.536265 6.721546 -9.241152\nSr Zn Ag\n2 1 1\ndirect\n0.263811 0.000000 0.263811 Sr\n0.736189 0.000000 0.736189 Sr\n0.000000 0.000000 0.000000 Zn\n0.500000 0.000000 0.500000 Ag\n",
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"volume": 1623.9959117733315,
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{
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"chemical_system": "Cu-Hg-I",
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"volume": 2844.8085368646402,
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"formula_full": "Cu2 Hg1 I4",
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"updated_at": "2021-11-28T01:35:31.029000Z",
"spacegroup": 65
},
{
"id": "mp-1093986",
"created_at": "2022-09-04T14:45:54.352919Z",
"structure_string": "Zr2 Tl1 Tc1\n1.0\n-5.296662 7.270478 10.562975\n5.296662 -7.270478 10.562975\n5.296662 7.270478 -10.562975\nZr Tl Tc\n2 1 1\ndirect\n0.000000 0.211325 0.211325 Zr\n0.000000 0.788675 0.788675 Zr\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Tc\n",
"nsites": 4,
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"elements": [
"Zr",
"Tl",
"Tc"
],
"chemical_system": "Tc-Tl-Zr",
"density": 0.4947983915758999,
"density_atomic": 0.0024583772235178742,
"volume": 1627.0895946050555,
"volume_molar": 244.96406419607453,
"formula_full": "Zr2 Tl1 Tc1",
"formula_reduced": "Zr2TlTc",
"formula_anonymous": "ABC2",
"energy": -18.07053743,
"energy_per_atom": -4.5176343575,
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"formation_energy": null,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:11.975000Z",
"spacegroup": 71
},
{
"id": "mp-1093830",
"created_at": "2022-09-04T14:44:28.848061Z",
"structure_string": "Sr2 Zn1 Sn1\n1.0\n-6.544605 6.613795 9.434321\n6.544605 -6.613795 9.434321\n6.544605 6.613795 -9.434321\nSr Zn Sn\n2 1 1\ndirect\n0.738682 0.000000 0.738682 Sr\n0.261318 0.000000 0.261318 Sr\n0.000000 0.000000 0.000000 Zn\n0.500000 0.000000 0.500000 Sn\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Zn",
"Sn"
],
"chemical_system": "Sn-Sr-Zn",
"density": 0.36531946587831654,
"density_atomic": 0.002448810517223739,
"volume": 1633.446104492753,
"volume_molar": 245.92105912822566,
"formula_full": "Sr2 Zn1 Sn1",
"formula_reduced": "Sr2ZnSn",
"formula_anonymous": "ABC2",
"energy": -4.06755324,
"energy_per_atom": -1.01688831,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:45.340000Z",
"spacegroup": 71
},
{
"id": "mp-1097609",
"created_at": "2022-09-04T14:40:07.702774Z",
"structure_string": "Li1 Ca2 Pb1\n1.0\n-6.521356 6.657798 9.409206\n6.521356 -6.657798 9.409206\n6.521356 6.657798 -9.409206\nLi Ca Pb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.260227 0.260227 Ca\n0.000000 0.739773 0.739773 Ca\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Ca-Li-Pb",
"density": 0.299056634110469,
"density_atomic": 0.0024478144818974507,
"volume": 1634.1107668009854,
"volume_molar": 246.02112637767672,
"formula_full": "Li1 Ca2 Pb1",
"formula_reduced": "LiCa2Pb",
"formula_anonymous": "ABC2",
"energy": -4.88444986,
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"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:50.188000Z",
"spacegroup": 71
},
{
"id": "mp-1093924",
"created_at": "2022-09-04T14:47:00.593578Z",
"structure_string": "In2 Sn1 Pb1\n1.0\n-5.557135 8.155974 9.062551\n5.557135 -8.155974 9.062551\n5.557135 8.155974 -9.062551\nIn Sn Pb\n2 1 1\ndirect\n0.000000 0.246125 0.246125 In\n0.000000 0.753875 0.753875 In\n0.000000 0.000000 0.000000 Sn\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
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"elements": [
"In",
"Sn",
"Pb"
],
"chemical_system": "In-Pb-Sn",
"density": 0.5614768924349937,
"density_atomic": 0.002434572748898859,
"volume": 1642.9987568903716,
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"formula_full": "In2 Sn1 Pb1",
"formula_reduced": "In2SnPb",
"formula_anonymous": "ABC2",
"energy": -8.20182503,
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"energy_above_hull": null,
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"formation_energy_per_atom": null,
"energy_uncorrected": -8.20182503,
"band_gap": 0.0,
"is_gap_direct": true,
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"total_magnetization": 0.0368696,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:46.797000Z",
"spacegroup": 71
},
{
"id": "mp-1093839",
"created_at": "2022-09-04T14:48:04.572816Z",
"structure_string": "Y2 In1 Pb1\n1.0\n-5.942477 7.046245 9.815445\n5.942477 -7.046245 9.815445\n5.942477 7.046245 -9.815445\nY In Pb\n2 1 1\ndirect\n0.000000 0.258187 0.258187 Y\n0.000000 0.741813 0.741813 Y\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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"In",
"Pb"
],
"chemical_system": "In-Pb-Y",
"density": 0.5048657643291554,
"density_atomic": 0.0024331268820126923,
"volume": 1643.975096231391,
"volume_molar": 247.50623588599956,
"formula_full": "Y2 In1 Pb1",
"formula_reduced": "Y2InPb",
"formula_anonymous": "ABC2",
"energy": -11.95395703,
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"energy_above_hull": null,
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"energy_uncorrected": -11.95395703,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:29.202000Z",
"spacegroup": 71
},
{
"id": "mp-1180797",
"created_at": "2022-09-04T14:46:24.262692Z",
"structure_string": "Mg8 Si4\n1.0\n10.735539 0.000000 0.000000\n0.000000 19.942582 0.000000\n0.000000 0.000000 23.156593\nMg Si\n8 4\ndirect\n0.250000 0.525458 0.340049 Mg\n0.250000 0.025458 0.159951 Mg\n0.750000 0.474542 0.659951 Mg\n0.750000 0.974542 0.840049 Mg\n0.250000 0.646503 0.234492 Mg\n0.250000 0.146503 0.265508 Mg\n0.750000 0.353497 0.765508 Mg\n0.750000 0.853497 0.734492 Mg\n0.250000 0.752820 0.624833 Si\n0.250000 0.252820 0.875167 Si\n0.750000 0.247180 0.375167 Si\n0.750000 0.747180 0.124833 Si\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 0.10275407850777936,
"density_atomic": 0.0024204791336588792,
"volume": 4957.696116082764,
"volume_molar": 248.79953213629756,
"formula_full": "Mg8 Si4",
"formula_reduced": "Mg2Si",
"formula_anonymous": "AB2",
"energy": -3.5020612900000003,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:37:38.005000Z",
"spacegroup": 62
},
{
"id": "mp-1207334",
"created_at": "2022-09-04T14:47:08.364643Z",
"structure_string": "Hf2 Cu1 Si3\n1.0\n8.406066 0.000000 0.000000\n0.000000 8.406066 0.000000\n0.000000 0.000000 35.102160\nHf Cu Si\n2 1 3\ndirect\n0.500000 0.500000 0.243146 Hf\n0.500000 0.500000 0.756854 Hf\n0.500000 0.500000 0.500000 Cu\n0.500000 0.500000 0.690977 Si\n0.500000 0.500000 0.309023 Si\n0.500000 0.500000 0.000000 Si\n",
"nsites": 6,
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"elements": [
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"Cu",
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],
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"density": 0.33793560776668685,
"density_atomic": 0.0024189774389846196,
"volume": 2480.386920234583,
"volume_molar": 248.9539862152592,
"formula_full": "Hf2 Cu1 Si3",
"formula_reduced": "Hf2CuSi3",
"formula_anonymous": "AB2C3",
"energy": -15.430480780000002,
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"updated_at": "2021-11-28T01:37:49.898000Z",
"spacegroup": 123
},
{
"id": "mp-1095937",
"created_at": "2022-09-04T14:43:58.437925Z",
"structure_string": "Rb2 Hg1 Se1\n1.0\n-6.548602 6.901167 9.152045\n6.548602 -6.901167 9.152045\n6.548602 6.901167 -9.152045\nRb Hg Se\n2 1 1\ndirect\n0.214174 0.000000 0.214174 Rb\n0.785826 0.000000 0.785826 Rb\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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],
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"density": 0.4521481300130286,
"density_atomic": 0.002417746258038184,
"volume": 1654.433332985776,
"volume_molar": 249.08076023190733,
"formula_full": "Rb2 Hg1 Se1",
"formula_reduced": "Rb2HgSe",
"formula_anonymous": "ABC2",
"energy": -6.60894646,
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"updated_at": "2021-11-28T01:36:08.485000Z",
"spacegroup": 71
},
{
"id": "mp-1093927",
"created_at": "2022-09-04T14:44:30.345246Z",
"structure_string": "Ba1 Sr1 Ag2\n1.0\n-6.490749 6.706106 9.508083\n6.490749 -6.706106 9.508083\n6.490749 6.706106 -9.508083\nBa Sr Ag\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Sr\n0.000000 0.244612 0.244612 Ag\n0.000000 0.755388 0.755388 Ag\n",
"nsites": 4,
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"density": 0.4420359635359198,
"density_atomic": 0.0024162496652385523,
"volume": 1655.4580669150705,
"volume_molar": 249.23503753100132,
"formula_full": "Ba1 Sr1 Ag2",
"formula_reduced": "BaSrAg2",
"formula_anonymous": "ABC2",
"energy": -5.1995649,
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"updated_at": "2021-11-28T01:36:42.647000Z",
"spacegroup": 71
},
{
"id": "mp-1093930",
"created_at": "2022-09-04T14:42:46.105869Z",
"structure_string": "K1 Tl2 Pb1\n1.0\n-6.414574 6.834878 9.445505\n6.414574 -6.834878 9.445505\n6.414574 6.834878 -9.445505\nK Tl Pb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 K\n0.000000 0.275814 0.275814 Tl\n0.000000 0.724186 0.724186 Tl\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
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"elements": [
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],
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"density": 0.6566737661778806,
"density_atomic": 0.002414772554407445,
"volume": 1656.4707068163405,
"volume_molar": 249.38749403161734,
"formula_full": "K1 Tl2 Pb1",
"formula_reduced": "KTl2Pb",
"formula_anonymous": "ABC2",
"energy": -6.36546494,
"energy_per_atom": -1.591366235,
"energy_above_hull": null,
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"total_magnetization": 1.0003629,
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"updated_at": "2021-11-28T01:36:10.624000Z",
"spacegroup": 71
}
]
}