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{
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"results": [
{
"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",
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"volume": 1643.975096231391,
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"formula_full": "Y2 In1 Pb1",
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{
"id": "mp-1093924",
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"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": [
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],
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"density": 0.5614768924349937,
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"volume": 1642.9987568903716,
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"formula_full": "In2 Sn1 Pb1",
"formula_reduced": "In2SnPb",
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"updated_at": "2021-11-28T01:37:46.797000Z",
"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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"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,
"energy_per_atom": -1.221112465,
"energy_above_hull": 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": "2021-11-28T01:34:50.188000Z",
"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,
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"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,
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"energy_above_hull": null,
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"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:45.340000Z",
"spacegroup": 71
},
{
"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": [
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],
"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,
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"formation_energy": null,
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"energy_uncorrected": -18.07053743,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 1.9995947,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:11.975000Z",
"spacegroup": 71
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{
"id": "mp-1226137",
"created_at": "2022-09-04T14:41:51.813703Z",
"structure_string": "Cu2 Hg1 I4\n1.0\n10.035405 -17.380747 0.000000\n10.035405 17.380747 0.000000\n0.000000 0.000000 8.154920\nCu Hg I\n2 1 4\ndirect\n0.000000 0.500000 0.000000 Cu\n0.500000 0.000000 0.000000 Cu\n0.500000 0.500000 0.000000 Hg\n0.666649 0.333351 0.835930 I\n0.333351 0.666649 0.835930 I\n0.333351 0.666649 0.164070 I\n0.666649 0.333351 0.164070 I\n",
"nsites": 7,
"nelements": 3,
"elements": [
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"Hg",
"I"
],
"chemical_system": "Cu-Hg-I",
"density": 0.48757168192239914,
"density_atomic": 0.0024606225372604293,
"volume": 2844.8085368646402,
"volume_molar": 244.74053491783587,
"formula_full": "Cu2 Hg1 I4",
"formula_reduced": "Cu2HgI4",
"formula_anonymous": "AB2C4",
"energy": -8.199103860000001,
"energy_per_atom": -1.1713005514285715,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -6.68310386,
"band_gap": 0.2378000000000004,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:31.029000Z",
"spacegroup": 65
},
{
"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",
"nsites": 4,
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"elements": [
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"Zn",
"Ag"
],
"chemical_system": "Ag-Sr-Zn",
"density": 0.3563595337811546,
"density_atomic": 0.0024630603876534254,
"volume": 1623.9959117733315,
"volume_molar": 244.4982993590886,
"formula_full": "Sr2 Zn1 Ag1",
"formula_reduced": "Sr2ZnAg",
"formula_anonymous": "ABC2",
"energy": -3.24057299,
"energy_per_atom": -0.8101432475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -3.24057299,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:07.242000Z",
"spacegroup": 71
},
{
"id": "mp-1096214",
"created_at": "2022-09-04T14:42:24.034429Z",
"structure_string": "Ca2 Mg1 Pb1\n1.0\n-6.482277 6.656142 9.405301\n6.482277 -6.656142 9.405301\n6.482277 6.656142 -9.405301\nCa Mg Pb\n2 1 1\ndirect\n0.000000 0.268108 0.268108 Ca\n0.000000 0.731892 0.731892 Ca\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
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"elements": [
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"Mg",
"Pb"
],
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"density": 0.3188223093527739,
"density_atomic": 0.0024642067182152113,
"volume": 1623.2404410037243,
"volume_molar": 244.38456057622258,
"formula_full": "Ca2 Mg1 Pb1",
"formula_reduced": "Ca2MgPb",
"formula_anonymous": "ABC2",
"energy": -4.18225669,
"energy_per_atom": -1.0455641725,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -4.18225669,
"band_gap": 0.0,
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"is_magnetic": true,
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"updated_at": "2021-11-28T01:35:44.145000Z",
"spacegroup": 71
},
{
"id": "mp-1096012",
"created_at": "2022-09-04T14:40:37.475012Z",
"structure_string": "Ca2 Cd1 Hg1\n1.0\n-6.464141 6.846135 9.139241\n6.464141 -6.846135 9.139241\n6.464141 6.846135 -9.139241\nCa Cd Hg\n2 1 1\ndirect\n0.251680 0.000000 0.251680 Ca\n0.748320 0.000000 0.748320 Ca\n0.000000 0.000000 0.000000 Cd\n0.500000 0.000000 0.500000 Hg\n",
"nsites": 4,
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"elements": [
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"Cd",
"Hg"
],
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"density": 0.4035419693735034,
"density_atomic": 0.00247248457280391,
"volume": 1617.8058476068945,
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"formula_full": "Ca2 Cd1 Hg1",
"formula_reduced": "Ca2CdHg",
"formula_anonymous": "ABC2",
"energy": -1.42465064,
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"updated_at": "2021-11-28T01:35:04.285000Z",
"spacegroup": 71
},
{
"id": "mp-1093549",
"created_at": "2022-09-04T14:47:12.013538Z",
"structure_string": "Ba1 Hg2 Sb1\n1.0\n-5.880127 7.010871 9.789373\n5.880127 -7.010871 9.789373\n5.880127 7.010871 -9.789373\nBa Hg Sb\n1 2 1\ndirect\n0.000000 0.500000 0.500000 Ba\n0.000000 0.228019 0.228019 Hg\n0.000000 0.771981 0.771981 Hg\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 4,
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"elements": [
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],
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"density": 0.6791960306576301,
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"volume": 1614.260240633615,
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"formula_full": "Ba1 Hg2 Sb1",
"formula_reduced": "BaHg2Sb",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:37:59.673000Z",
"spacegroup": 71
},
{
"id": "mp-1097100",
"created_at": "2022-09-04T14:41:21.335675Z",
"structure_string": "Ba1 Sr1 Zn2\n1.0\n-6.547546 6.665013 9.246458\n6.547546 -6.665013 9.246458\n6.547546 6.665013 -9.246458\nBa Sr Zn\n1 1 2\ndirect\n0.500000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Sr\n0.253391 0.000000 0.253391 Zn\n0.746609 0.000000 0.746609 Zn\n",
"nsites": 4,
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],
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"density": 0.36601372057388754,
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"volume": 1614.0424465582057,
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"formula_full": "Ba1 Sr1 Zn2",
"formula_reduced": "BaSrZn2",
"formula_anonymous": "ABC2",
"energy": -1.23601828,
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"updated_at": "2021-11-28T01:35:17.647000Z",
"spacegroup": 71
},
{
"id": "mp-1097475",
"created_at": "2022-09-04T14:48:22.236319Z",
"structure_string": "Sr2 Ag1 Bi1\n1.0\n-6.131478 6.812344 9.654843\n6.131478 -6.812344 9.654843\n6.131478 6.812344 -9.654843\nSr Ag Bi\n2 1 1\ndirect\n0.000000 0.257580 0.257580 Sr\n0.000000 0.742420 0.742420 Sr\n0.000000 0.000000 0.000000 Ag\n0.000000 0.500000 0.500000 Bi\n",
"nsites": 4,
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"elements": [
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],
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"density": 0.506553650687674,
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"volume": 1613.121025619299,
"volume_molar": 242.8610469798746,
"formula_full": "Sr2 Ag1 Bi1",
"formula_reduced": "Sr2AgBi",
"formula_anonymous": "ABC2",
"energy": -6.94437009,
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"energy_uncorrected": -6.94437009,
"band_gap": 0.2330999999999998,
"is_gap_direct": true,
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"total_magnetization": 4.32e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:17.856000Z",
"spacegroup": 71
}
]
}