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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy_uncorrected&page=24",
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"results": [
{
"id": "mp-1096253",
"created_at": "2022-09-04T14:41:59.218476Z",
"structure_string": "Li2 Zn1 Cd1\n1.0\n-5.658673 5.675490 8.000385\n5.658673 -5.675490 8.000385\n5.658673 5.675490 -8.000385\nLi Zn Cd\n2 1 1\ndirect\n0.246062 0.000000 0.246062 Li\n0.753938 0.000000 0.753938 Li\n0.000000 0.000000 0.000000 Zn\n0.500000 0.000000 0.500000 Cd\n",
"nsites": 4,
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"elements": [
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"Zn",
"Cd"
],
"chemical_system": "Cd-Li-Zn",
"density": 0.3097325887238335,
"density_atomic": 0.0038919849514323394,
"volume": 1027.7532030353582,
"volume_molar": 154.73186138049465,
"formula_full": "Li2 Zn1 Cd1",
"formula_reduced": "Li2ZnCd",
"formula_anonymous": "ABC2",
"energy": -2.72686733,
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"total_magnetization": 1.8e-06,
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"updated_at": "2021-11-28T01:35:34.026000Z",
"spacegroup": 71
},
{
"id": "mp-1185881",
"created_at": "2022-09-04T14:47:24.872085Z",
"structure_string": "Mg1 Hg3\n1.0\n3.511034 0.000000 0.000000\n0.000000 5.216129 0.000000\n0.000000 0.000000 5.315846\nMg Hg\n1 3\ndirect\n0.000000 0.500000 0.335457 Mg\n0.500000 0.000000 0.488776 Hg\n0.000000 0.000000 0.007185 Hg\n0.500000 0.500000 0.835247 Hg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Hg"
],
"chemical_system": "Hg-Mg",
"density": 10.67873256299397,
"density_atomic": 0.04108698201012276,
"volume": 97.35443696045878,
"volume_molar": 14.657053074660734,
"formula_full": "Mg1 Hg3",
"formula_reduced": "MgHg3",
"formula_anonymous": "AB3",
"energy": -2.7323785,
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"energy_above_hull": null,
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"energy_uncorrected": -2.7323785,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0026035,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:04.990000Z",
"spacegroup": 25
},
{
"id": "mp-1097631",
"created_at": "2022-09-04T14:42:04.257047Z",
"structure_string": "Ba2 Mg1 Tl1\n1.0\n-6.718384 7.199873 10.180575\n6.718384 -7.199873 10.180575\n6.718384 7.199873 -10.180575\nBa Mg Tl\n2 1 1\ndirect\n0.000000 0.259968 0.259968 Ba\n0.000000 0.740032 0.740032 Ba\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Mg",
"Tl"
],
"chemical_system": "Ba-Mg-Tl",
"density": 0.4243171338101535,
"density_atomic": 0.002030663830611936,
"volume": 1969.7992054128472,
"volume_molar": 296.56020209830797,
"formula_full": "Ba2 Mg1 Tl1",
"formula_reduced": "Ba2MgTl",
"formula_anonymous": "ABC2",
"energy": -2.74159245,
"energy_per_atom": -0.6853981125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.74159245,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.8060041,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:35.515000Z",
"spacegroup": 71
},
{
"id": "mp-1097187",
"created_at": "2022-09-04T14:40:39.606950Z",
"structure_string": "Li2 Mg1 Zn1\n1.0\n-5.650745 5.804599 7.990925\n5.650745 -5.804599 7.990925\n5.650745 5.804599 -7.990925\nLi Mg Zn\n2 1 1\ndirect\n0.261001 0.000000 0.261001 Li\n0.738999 0.000000 0.738999 Li\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Zn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Mg",
"Zn"
],
"chemical_system": "Li-Mg-Zn",
"density": 0.1640805512542381,
"density_atomic": 0.0038152676781840543,
"volume": 1048.4192296315819,
"volume_molar": 157.8432044083037,
"formula_full": "Li2 Mg1 Zn1",
"formula_reduced": "Li2MgZn",
"formula_anonymous": "ABC2",
"energy": -2.7524977,
"energy_per_atom": -0.688124425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.7524977,
"band_gap": 0.6655,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:06.951000Z",
"spacegroup": 71
},
{
"id": "mp-1185883",
"created_at": "2022-09-04T14:48:07.869712Z",
"structure_string": "Mg1 Hg3\n1.0\n3.249562 0.000000 0.000000\n1.624780 -2.728767 5.520741\n0.000000 -5.457538 0.000000\nMg Hg\n1 3\ndirect\n0.750001 0.499999 0.086353 Mg\n0.027500 0.944997 0.007703 Hg\n0.472500 0.055002 0.452702 Hg\n0.250002 0.499999 0.619910 Hg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Hg"
],
"chemical_system": "Hg-Mg",
"density": 10.618336658424465,
"density_atomic": 0.040854605608719875,
"volume": 97.90817804752601,
"volume_molar": 14.74042074393359,
"formula_full": "Mg1 Hg3",
"formula_reduced": "MgHg3",
"formula_anonymous": "AB3",
"energy": -2.75603689,
"energy_per_atom": -0.6890092225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.75603689,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0013799,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:29.129000Z",
"spacegroup": 44
},
{
"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",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"In",
"Hg"
],
"chemical_system": "Hg-In-Li",
"density": 0.7812611968832194,
"density_atomic": 0.0035987867797832797,
"volume": 1111.4856880298091,
"volume_molar": 167.33808165102397,
"formula_full": "Li1 In1 Hg2",
"formula_reduced": "LiInHg2",
"formula_anonymous": "ABC2",
"energy": -2.75633532,
"energy_per_atom": -0.68908383,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.75633532,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.9500247,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:24.227000Z",
"spacegroup": 71
},
{
"id": "mp-1185879",
"created_at": "2022-09-04T14:39:41.840355Z",
"structure_string": "Mg1 Hg3\n1.0\n-2.209937 2.209937 4.927786\n2.209937 -2.209937 4.927786\n2.209937 2.209937 -4.927786\nMg Hg\n1 3\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Hg\n0.750000 0.250000 0.500000 Hg\n0.250000 0.750000 0.500000 Hg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Hg"
],
"chemical_system": "Hg-Mg",
"density": 10.799504819607362,
"density_atomic": 0.04155165958356366,
"volume": 96.2657097234753,
"volume_molar": 14.493141357901724,
"formula_full": "Mg1 Hg3",
"formula_reduced": "MgHg3",
"formula_anonymous": "AB3",
"energy": -2.76590621,
"energy_per_atom": -0.6914765525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.76590621,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001405,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:27.288000Z",
"spacegroup": 139
},
{
"id": "mp-1096302",
"created_at": "2022-09-04T14:45:57.846390Z",
"structure_string": "Sr2 Ga1 Hg1\n1.0\n-6.550257 6.587701 9.289148\n6.550257 -6.587701 9.289148\n6.550257 6.587701 -9.289148\nSr Ga Hg\n2 1 1\ndirect\n0.000000 0.232300 0.232300 Sr\n0.000000 0.767700 0.767700 Sr\n0.000000 0.000000 0.000000 Ga\n0.000000 0.500000 0.500000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Ga",
"Hg"
],
"chemical_system": "Ga-Hg-Sr",
"density": 0.4614454591922697,
"density_atomic": 0.002494777958428298,
"volume": 1603.3491022663943,
"volume_molar": 241.38984953169657,
"formula_full": "Sr2 Ga1 Hg1",
"formula_reduced": "Sr2GaHg",
"formula_anonymous": "ABC2",
"energy": -2.76694759,
"energy_per_atom": -0.6917368975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.76694759,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9999517,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:13.293000Z",
"spacegroup": 71
},
{
"id": "mp-1185880",
"created_at": "2022-09-04T14:46:35.487050Z",
"structure_string": "Mg1 Hg3\n1.0\n4.599486 0.000000 0.000000\n0.000000 4.599486 0.000000\n0.000000 0.000000 4.599486\nMg Hg\n1 3\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Hg\n0.500000 0.000000 0.500000 Hg\n0.000000 0.500000 0.500000 Hg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Hg"
],
"chemical_system": "Hg-Mg",
"density": 10.684336457134235,
"density_atomic": 0.04110854328589865,
"volume": 97.30337492576899,
"volume_molar": 14.649365505650886,
"formula_full": "Mg1 Hg3",
"formula_reduced": "MgHg3",
"formula_anonymous": "AB3",
"energy": -2.77714346,
"energy_per_atom": -0.694285865,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -2.77714346,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.0002295,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:38.209000Z",
"spacegroup": 221
},
{
"id": "mp-1096062",
"created_at": "2022-09-04T14:44:40.268029Z",
"structure_string": "La1 Zn2 Cd1\n1.0\n-5.863676 6.840634 9.660962\n5.863676 -6.840634 9.660962\n5.863676 6.840634 -9.660962\nLa Zn Cd\n1 2 1\ndirect\n0.000000 0.500000 0.500000 La\n0.000000 0.243123 0.243123 Zn\n0.000000 0.756877 0.756877 Zn\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"La",
"Zn",
"Cd"
],
"chemical_system": "Cd-La-Zn",
"density": 0.4093724639934486,
"density_atomic": 0.002580556108731603,
"volume": 1550.0534890388735,
"volume_molar": 233.36600741303033,
"formula_full": "La1 Zn2 Cd1",
"formula_reduced": "LaZn2Cd",
"formula_anonymous": "ABC2",
"energy": -2.78933608,
"energy_per_atom": -0.69733402,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -2.78933608,
"band_gap": 0.0579,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.0033618,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:01.584000Z",
"spacegroup": 71
},
{
"id": "mp-1093671",
"created_at": "2022-09-04T14:39:48.041484Z",
"structure_string": "Na1 Li2 Hg1\n1.0\n-5.881280 5.955124 8.312081\n5.881280 -5.955124 8.312081\n5.881280 5.955124 -8.312081\nNa Li Hg\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.262751 0.000000 0.262751 Li\n0.737249 0.000000 0.737249 Li\n0.500000 0.000000 0.500000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Li",
"Hg"
],
"chemical_system": "Hg-Li-Na",
"density": 0.3386182599632298,
"density_atomic": 0.003435006539861234,
"volume": 1164.4810435096263,
"volume_molar": 175.31671890916633,
"formula_full": "Na1 Li2 Hg1",
"formula_reduced": "NaLi2Hg",
"formula_anonymous": "ABC2",
"energy": -2.8068034,
"energy_per_atom": -0.70170085,
"energy_above_hull": null,
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"energy_uncorrected": -2.8068034,
"band_gap": 0.2867999999999999,
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"total_magnetization": 0.4362086,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:24.080000Z",
"spacegroup": 71
},
{
"id": "mp-1097202",
"created_at": "2022-09-04T14:48:09.877783Z",
"structure_string": "Ca2 Tl1 Zn1\n1.0\n-6.193555 6.719364 9.495983\n6.193555 -6.719364 9.495983\n6.193555 6.719364 -9.495983\nCa Tl Zn\n2 1 1\ndirect\n0.000000 0.254856 0.254856 Ca\n0.000000 0.745144 0.745144 Ca\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Zn\n",
"nsites": 4,
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"elements": [
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"Tl",
"Zn"
],
"chemical_system": "Ca-Tl-Zn",
"density": 0.3676079533722175,
"density_atomic": 0.00253041588196662,
"volume": 1580.767821015742,
"volume_molar": 237.9901581758821,
"formula_full": "Ca2 Tl1 Zn1",
"formula_reduced": "Ca2TlZn",
"formula_anonymous": "ABC2",
"energy": -2.81154557,
"energy_per_atom": -0.7028863925,
"energy_above_hull": null,
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"energy_uncorrected": -2.81154557,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 1.6326626,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:25.812000Z",
"spacegroup": 71
}
]
}