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{
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"results": [
{
"id": "mp-1096711",
"created_at": "2022-09-04T14:44:20.908080Z",
"structure_string": "Y1 Cd1 Cu2\n1.0\n-5.408301 5.754775 8.170760\n5.408301 -5.754775 8.170760\n5.408301 5.754775 -8.170760\nY Cd Cu\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.000000 0.500000 0.500000 Cd\n0.000000 0.247853 0.247853 Cu\n0.000000 0.752147 0.752147 Cu\n",
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"elements": [
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"chemical_system": "Cd-Cu-Y",
"density": 0.5361080165807873,
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"volume": 1017.2124056645242,
"volume_molar": 153.14490724324963,
"formula_full": "Y1 Cd1 Cu2",
"formula_reduced": "YCdCu2",
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{
"id": "mp-1097550",
"created_at": "2022-09-04T14:41:50.973058Z",
"structure_string": "Hf1 Ti1 Be2\n1.0\n-5.080175 5.123699 7.272531\n5.080175 -5.123699 7.272531\n5.080175 5.123699 -7.272531\nHf Ti Be\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Hf\n0.000000 0.000000 0.000000 Ti\n0.000000 0.245450 0.245450 Be\n0.000000 0.754550 0.754550 Be\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Be-Hf-Ti",
"density": 0.5359315543493691,
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"volume": 757.1952029651425,
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"formula_full": "Hf1 Ti1 Be2",
"formula_reduced": "HfTiBe2",
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"total_magnetization": 5.9999999,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:37.601000Z",
"spacegroup": 71
},
{
"id": "mp-1096371",
"created_at": "2022-09-04T14:45:34.052677Z",
"structure_string": "Mg2 Ag1 Hg1\n1.0\n-5.564453 5.931409 8.383128\n5.564453 -5.931409 8.383128\n5.564453 5.931409 -8.383128\nMg Ag Hg\n2 1 1\ndirect\n0.000000 0.240443 0.240443 Mg\n0.000000 0.759557 0.759557 Mg\n0.000000 0.000000 0.000000 Ag\n0.000000 0.500000 0.500000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Ag",
"Hg"
],
"chemical_system": "Ag-Hg-Mg",
"density": 0.5357397031516079,
"density_atomic": 0.0036142114074729013,
"volume": 1106.7421213184778,
"volume_molar": 166.62392099002173,
"formula_full": "Mg2 Ag1 Hg1",
"formula_reduced": "Mg2AgHg",
"formula_anonymous": "ABC2",
"energy": -3.1584684,
"energy_per_atom": -0.7896171,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -3.1584684,
"band_gap": 0.0020999999999999,
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"total_magnetization": 0.0012635,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:04.854000Z",
"spacegroup": 71
},
{
"id": "mp-1096508",
"created_at": "2022-09-04T14:41:56.334195Z",
"structure_string": "K2 Hg1 Au1\n1.0\n-6.232290 6.723906 8.798057\n6.232290 -6.723906 8.798057\n6.232290 6.723906 -8.798057\nK Hg Au\n2 1 1\ndirect\n0.228499 0.000000 0.228499 K\n0.771501 0.000000 0.771501 K\n0.500000 0.000000 0.500000 Hg\n0.000000 0.000000 0.000000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Hg",
"Au"
],
"chemical_system": "Au-Hg-K",
"density": 0.5356914781144544,
"density_atomic": 0.0027123388315276093,
"volume": 1474.7420025495746,
"volume_molar": 222.02759810094543,
"formula_full": "K2 Hg1 Au1",
"formula_reduced": "K2HgAu",
"formula_anonymous": "ABC2",
"energy": -4.73742917,
"energy_per_atom": -1.1843572925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.73742917,
"band_gap": 0.1665999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.9996847,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:29.437000Z",
"spacegroup": 71
},
{
"id": "mp-1095914",
"created_at": "2022-09-04T14:41:11.472006Z",
"structure_string": "Ti1 Cr1 Mo2\n1.0\n-5.079991 5.624070 7.913512\n5.079991 -5.624070 7.913512\n5.079991 5.624070 -7.913512\nTi Cr Mo\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.000000 0.500000 0.500000 Cr\n0.000000 0.216858 0.216858 Mo\n0.000000 0.783142 0.783142 Mo\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Cr",
"Mo"
],
"chemical_system": "Cr-Mo-Ti",
"density": 0.5356816551792831,
"density_atomic": 0.004423001375051195,
"volume": 904.3632729943931,
"volume_molar": 136.15507320366353,
"formula_full": "Ti1 Cr1 Mo2",
"formula_reduced": "TiCrMo2",
"formula_anonymous": "ABC2",
"energy": -22.99161737,
"energy_per_atom": -5.7479043425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.99161737,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.3780195,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:16.241000Z",
"spacegroup": 71
},
{
"id": "mp-1096266",
"created_at": "2022-09-04T14:39:43.613276Z",
"structure_string": "La2 Cd1 Pb1\n1.0\n-6.273336 7.234319 10.216563\n6.273336 -7.234319 10.216563\n6.273336 7.234319 -10.216563\nLa Cd Pb\n2 1 1\ndirect\n0.000000 0.260836 0.260836 La\n0.000000 0.739164 0.739164 La\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
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"elements": [
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"Cd",
"Pb"
],
"chemical_system": "Cd-La-Pb",
"density": 0.5348958794265911,
"density_atomic": 0.002156745886476218,
"volume": 1854.6459390889895,
"volume_molar": 279.2234726289071,
"formula_full": "La2 Cd1 Pb1",
"formula_reduced": "La2CdPb",
"formula_anonymous": "ABC2",
"energy": -7.63829365,
"energy_per_atom": -1.9095734125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.63829365,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.5867034,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:26.284000Z",
"spacegroup": 71
},
{
"id": "mp-1096366",
"created_at": "2022-09-04T14:47:19.895275Z",
"structure_string": "Zr2 Be1 Tc1\n1.0\n-4.969719 5.513148 8.205186\n4.969719 -5.513148 8.205186\n4.969719 5.513148 -8.205186\nZr Be Tc\n2 1 1\ndirect\n0.000000 0.273303 0.273303 Zr\n0.000000 0.726697 0.726697 Zr\n0.000000 0.000000 0.000000 Be\n0.000000 0.500000 0.500000 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Be",
"Tc"
],
"chemical_system": "Be-Tc-Zr",
"density": 0.5345126920575889,
"density_atomic": 0.004448156770232006,
"volume": 899.2488814173178,
"volume_molar": 135.3850835541909,
"formula_full": "Zr2 Be1 Tc1",
"formula_reduced": "Zr2BeTc",
"formula_anonymous": "ABC2",
"energy": -17.57063152,
"energy_per_atom": -4.39265788,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.57063152,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.3005228,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:04.543000Z",
"spacegroup": 71
},
{
"id": "mp-1096321",
"created_at": "2022-09-04T14:46:59.865391Z",
"structure_string": "Mg2 Zn1 Au1\n1.0\n-5.371416 5.643807 7.976551\n5.371416 -5.643807 7.976551\n5.371416 5.643807 -7.976551\nMg Zn Au\n2 1 1\ndirect\n0.000000 0.257701 0.257701 Mg\n0.000000 0.742299 0.742299 Mg\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Zn",
"Au"
],
"chemical_system": "Au-Mg-Zn",
"density": 0.5338918040918875,
"density_atomic": 0.004135460827074951,
"volume": 967.2440792600221,
"volume_molar": 145.62199986451125,
"formula_full": "Mg2 Zn1 Au1",
"formula_reduced": "Mg2ZnAu",
"formula_anonymous": "ABC2",
"energy": -4.44529982,
"energy_per_atom": -1.111324955,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.44529982,
"band_gap": 0.0030000000000001,
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"is_magnetic": false,
"total_magnetization": 0.0001195,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:45.977000Z",
"spacegroup": 71
},
{
"id": "mp-1096537",
"created_at": "2022-09-04T14:43:15.784460Z",
"structure_string": "Li1 Ca1 Pb2\n1.0\n-5.827191 6.601356 9.333817\n5.827191 -6.601356 9.333817\n5.827191 6.601356 -9.333817\nLi Ca Pb\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Ca\n0.000000 0.239217 0.239217 Pb\n0.000000 0.760783 0.760783 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Ca",
"Pb"
],
"chemical_system": "Ca-Li-Pb",
"density": 0.5334981164621827,
"density_atomic": 0.002785148209016458,
"volume": 1436.1892796407242,
"volume_molar": 216.22334999998608,
"formula_full": "Li1 Ca1 Pb2",
"formula_reduced": "LiCaPb2",
"formula_anonymous": "ABC2",
"energy": -6.79234283,
"energy_per_atom": -1.6980857075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -6.79234283,
"band_gap": 0.1188000000000002,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 4.9997736,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:02.413000Z",
"spacegroup": 71
},
{
"id": "mp-1093547",
"created_at": "2022-09-04T14:41:05.888961Z",
"structure_string": "Ba2 Ag1 Hg1\n1.0\n-6.749469 7.046744 9.541310\n6.749469 -7.046744 9.541310\n6.749469 7.046744 -9.541310\nBa Ag Hg\n2 1 1\ndirect\n0.764543 0.000000 0.764543 Ba\n0.235457 0.000000 0.235457 Ba\n0.000000 0.000000 0.000000 Ag\n0.500000 0.000000 0.500000 Hg\n",
"nsites": 4,
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"elements": [
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"Ag",
"Hg"
],
"chemical_system": "Ag-Ba-Hg",
"density": 0.5334271621972856,
"density_atomic": 0.002203605726012615,
"volume": 1815.2067553563352,
"volume_molar": 273.28576473146836,
"formula_full": "Ba2 Ag1 Hg1",
"formula_reduced": "Ba2AgHg",
"formula_anonymous": "ABC2",
"energy": -3.21890947,
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"energy_uncorrected": -3.21890947,
"band_gap": 0.1757000000000002,
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"total_magnetization": 1.0056708,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:13.585000Z",
"spacegroup": 71
},
{
"id": "mp-1097227",
"created_at": "2022-09-04T14:45:39.832408Z",
"structure_string": "Sr2 Hg1 Sb1\n1.0\n-6.397372 6.442477 9.398187\n6.397372 -6.442477 9.398187\n6.397372 6.442477 -9.398187\nSr Hg Sb\n2 1 1\ndirect\n0.771167 0.000000 0.771167 Sr\n0.228833 0.000000 0.228833 Sr\n0.500000 0.000000 0.500000 Hg\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 4,
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"elements": [
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"Hg",
"Sb"
],
"chemical_system": "Hg-Sb-Sr",
"density": 0.5332884598962254,
"density_atomic": 0.0025816742075110218,
"volume": 1549.3821754745647,
"volume_molar": 233.26493879357122,
"formula_full": "Sr2 Hg1 Sb1",
"formula_reduced": "Sr2HgSb",
"formula_anonymous": "ABC2",
"energy": -5.58297361,
"energy_per_atom": -1.3957434025,
"energy_above_hull": null,
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"energy_uncorrected": -5.39097361,
"band_gap": 0.0,
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"total_magnetization": 0.0043102,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:16.991000Z",
"spacegroup": 71
},
{
"id": "mp-1093616",
"created_at": "2022-09-04T14:42:58.456014Z",
"structure_string": "Sr1 Mg1 Hg2\n1.0\n-6.471900 6.737794 9.160673\n6.471900 -6.737794 9.160673\n6.471900 6.737794 -9.160673\nSr Mg Hg\n1 1 2\ndirect\n0.500000 0.000000 0.500000 Sr\n0.000000 0.000000 0.000000 Mg\n0.232730 0.000000 0.232730 Hg\n0.767270 0.000000 0.767270 Hg\n",
"nsites": 4,
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"elements": [
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"Hg"
],
"chemical_system": "Hg-Mg-Sr",
"density": 0.5332347513776269,
"density_atomic": 0.0025033587527148638,
"volume": 1597.853282379941,
"volume_molar": 240.56243450800082,
"formula_full": "Sr1 Mg1 Hg2",
"formula_reduced": "SrMgHg2",
"formula_anonymous": "ABC2",
"energy": -0.95437335,
"energy_per_atom": -0.2385933375,
"energy_above_hull": null,
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"formation_energy": null,
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"energy_uncorrected": -0.95437335,
"band_gap": 0.3729000000000002,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.1e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:57.888000Z",
"spacegroup": 71
}
]
}