HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=density&page=125",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=density&page=123",
"results": [
{
"id": "mp-1093973",
"created_at": "2022-09-04T14:43:08.532219Z",
"structure_string": "Ba2 Pd1 Pt1\n1.0\n-5.709629 6.545815 9.256429\n5.709629 -6.545815 9.256429\n5.709629 6.545815 -9.256429\nBa Pd Pt\n2 1 1\ndirect\n0.000000 0.250997 0.250997 Ba\n0.000000 0.749003 0.749003 Ba\n0.000000 0.000000 0.000000 Pd\n0.000000 0.500000 0.500000 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Pd",
"Pt"
],
"chemical_system": "Ba-Pd-Pt",
"density": 0.6913780888265338,
"density_atomic": 0.002890579438787286,
"volume": 1383.8055949357201,
"volume_molar": 208.33680192946125,
"formula_full": "Ba2 Pd1 Pt1",
"formula_reduced": "Ba2PdPt",
"formula_anonymous": "ABC2",
"energy": -12.40566965,
"energy_per_atom": -3.1014174125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.40566965,
"band_gap": 1.0328000000000002,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003319,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:03.307000Z",
"spacegroup": 71
},
{
"id": "mp-1095862",
"created_at": "2022-09-04T14:40:22.790547Z",
"structure_string": "La2 Cd1 Ir1\n1.0\n-5.733746 6.569143 9.277575\n5.733746 -6.569143 9.277575\n5.733746 6.569143 -9.277575\nLa Cd Ir\n2 1 1\ndirect\n0.000000 0.288095 0.288095 La\n0.000000 0.711905 0.711905 La\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"La",
"Cd",
"Ir"
],
"chemical_system": "Cd-Ir-La",
"density": 0.691923162396687,
"density_atomic": 0.002861662155004379,
"volume": 1397.7890412412708,
"volume_molar": 210.44205897850944,
"formula_full": "La2 Cd1 Ir1",
"formula_reduced": "La2CdIr",
"formula_anonymous": "ABC2",
"energy": -13.56876209,
"energy_per_atom": -3.3921905225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.56876209,
"band_gap": 0.0348999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.0005138,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:46.127000Z",
"spacegroup": 71
},
{
"id": "mp-1097425",
"created_at": "2022-09-04T14:46:04.647952Z",
"structure_string": "Cu1 Si1 Tc2\n1.0\n-4.765508 5.060635 7.155591\n4.765508 -5.060635 7.155591\n4.765508 5.060635 -7.155591\nCu Si Tc\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Si\n0.000000 0.239298 0.239298 Tc\n0.000000 0.760702 0.760702 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Cu",
"Si",
"Tc"
],
"chemical_system": "Cu-Si-Tc",
"density": 0.6919358386456528,
"density_atomic": 0.005794824306312449,
"volume": 690.271143448249,
"volume_molar": 103.92274971028768,
"formula_full": "Cu1 Si1 Tc2",
"formula_reduced": "CuSiTc2",
"formula_anonymous": "ABC2",
"energy": -18.07309919,
"energy_per_atom": -4.5182747975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.07309919,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.9999534,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:22.030000Z",
"spacegroup": 71
},
{
"id": "mp-1097561",
"created_at": "2022-09-04T14:45:06.073301Z",
"structure_string": "Al1 Zn1 Pd2\n1.0\n-4.773223 5.207774 7.362661\n4.773223 -5.207774 7.362661\n4.773223 5.207774 -7.362661\nAl Zn Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 Zn\n0.000000 0.237206 0.237206 Pd\n0.000000 0.762794 0.762794 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Al",
"Zn",
"Pd"
],
"chemical_system": "Al-Pd-Zn",
"density": 0.6923384171556485,
"density_atomic": 0.005463882378521288,
"volume": 732.0801808845921,
"volume_molar": 110.21724742233187,
"formula_full": "Al1 Zn1 Pd2",
"formula_reduced": "AlZnPd2",
"formula_anonymous": "ABC2",
"energy": -10.58317568,
"energy_per_atom": -2.64579392,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.58317568,
"band_gap": 0.0763000000000002,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.3710403,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:47.827000Z",
"spacegroup": 71
},
{
"id": "mp-1097412",
"created_at": "2022-09-04T14:39:29.947030Z",
"structure_string": "Nb1 In1 Co2\n1.0\n-4.569523 5.565258 7.675358\n4.569523 -5.565258 7.675358\n4.569523 5.565258 -7.675358\nNb In Co\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Nb\n0.000000 0.500000 0.500000 In\n0.000000 0.221279 0.221279 Co\n0.000000 0.778721 0.778721 Co\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Nb",
"In",
"Co"
],
"chemical_system": "Co-In-Nb",
"density": 0.6924786361249413,
"density_atomic": 0.005123245749845243,
"volume": 780.7550516429603,
"volume_molar": 117.5454205018744,
"formula_full": "Nb1 In1 Co2",
"formula_reduced": "NbInCo2",
"formula_anonymous": "ABC2",
"energy": -16.08753142,
"energy_per_atom": -4.021882855,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.08753142,
"band_gap": 0.2351000000000001,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 0.0003423,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:40.929000Z",
"spacegroup": 71
},
{
"id": "mp-1096625",
"created_at": "2022-09-04T14:40:41.928850Z",
"structure_string": "Si1 Tc2 Ge1\n1.0\n-4.694483 5.176398 7.319389\n4.694483 -5.176398 7.319389\n4.694483 5.176398 -7.319389\nSi Tc Ge\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Si\n0.000000 0.244810 0.244810 Tc\n0.000000 0.755190 0.755190 Tc\n0.000000 0.500000 0.500000 Ge\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Si",
"Tc",
"Ge"
],
"chemical_system": "Ge-Si-Tc",
"density": 0.6925541180673319,
"density_atomic": 0.005622244646126366,
"volume": 711.4596129778761,
"volume_molar": 107.11274836019732,
"formula_full": "Si1 Tc2 Ge1",
"formula_reduced": "SiTc2Ge",
"formula_anonymous": "ABC2",
"energy": -19.60282295,
"energy_per_atom": -4.9007057375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.60282295,
"band_gap": 0.1167000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.9998745,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:07.845000Z",
"spacegroup": 71
},
{
"id": "mp-1096023",
"created_at": "2022-09-04T14:40:25.470139Z",
"structure_string": "V1 Zn1 Co2\n1.0\n-4.369274 4.743768 6.772473\n4.369274 -4.743768 6.772473\n4.369274 4.743768 -6.772473\nV Zn Co\n1 1 2\ndirect\n0.000000 0.000000 0.000000 V\n0.000000 0.500000 0.500000 Zn\n0.000000 0.214253 0.214253 Co\n0.000000 0.785747 0.785747 Co\n",
"nsites": 4,
"nelements": 3,
"elements": [
"V",
"Zn",
"Co"
],
"chemical_system": "Co-V-Zn",
"density": 0.6926714892977127,
"density_atomic": 0.007123935785213771,
"volume": 561.4873744794669,
"volume_molar": 84.53390010195454,
"formula_full": "V1 Zn1 Co2",
"formula_reduced": "VZnCo2",
"formula_anonymous": "ABC2",
"energy": -14.69874223,
"energy_per_atom": -3.6746855575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.69874223,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0283838,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:53.899000Z",
"spacegroup": 71
},
{
"id": "mp-1093873",
"created_at": "2022-09-04T14:47:02.978650Z",
"structure_string": "Zn1 Co2 Sn1\n1.0\n-4.865373 5.125053 7.247832\n4.865373 -5.125053 7.247832\n4.865373 5.125053 -7.247832\nZn Co Sn\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Zn\n0.000000 0.250919 0.250919 Co\n0.000000 0.749081 0.749081 Co\n0.000000 0.500000 0.500000 Sn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zn",
"Co",
"Sn"
],
"chemical_system": "Co-Sn-Zn",
"density": 0.6936692114123257,
"density_atomic": 0.005533212892778469,
"volume": 722.9073013294857,
"volume_molar": 108.83623812594745,
"formula_full": "Zn1 Co2 Sn1",
"formula_reduced": "ZnCo2Sn",
"formula_anonymous": "ABC2",
"energy": -10.91328614,
"energy_per_atom": -2.728321535,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.91328614,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.2922291,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:56.250000Z",
"spacegroup": 71
},
{
"id": "mp-1093933",
"created_at": "2022-09-04T14:43:12.117915Z",
"structure_string": "Zr2 Fe1 Tc1\n1.0\n-4.500709 5.626246 7.945298\n4.500709 -5.626246 7.945298\n4.500709 5.626246 -7.945298\nZr Fe Tc\n2 1 1\ndirect\n0.000000 0.249869 0.249869 Zr\n0.000000 0.750131 0.750131 Zr\n0.000000 0.000000 0.000000 Fe\n0.000000 0.500000 0.500000 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Fe",
"Tc"
],
"chemical_system": "Fe-Tc-Zr",
"density": 0.6939003265221457,
"density_atomic": 0.00497038646795552,
"volume": 804.766395085839,
"volume_molar": 121.16041275311738,
"formula_full": "Zr2 Fe1 Tc1",
"formula_reduced": "Zr2FeTc",
"formula_anonymous": "ABC2",
"energy": -22.35253763,
"energy_per_atom": -5.5881344075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.35253763,
"band_gap": 0.0596999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.999102,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:05.163000Z",
"spacegroup": 71
},
{
"id": "mp-1096524",
"created_at": "2022-09-04T14:43:57.191698Z",
"structure_string": "La2 Cu1 Ge1\n1.0\n-5.359775 5.677750 8.135543\n5.359775 -5.677750 8.135543\n5.359775 5.677750 -8.135543\nLa Cu Ge\n2 1 1\ndirect\n0.000000 0.246736 0.246736 La\n0.000000 0.753264 0.753264 La\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.500000 Ge\n",
"nsites": 4,
"nelements": 3,
"elements": [
"La",
"Cu",
"Ge"
],
"chemical_system": "Cu-Ge-La",
"density": 0.6941876255456633,
"density_atomic": 0.0040391560346613635,
"volume": 990.3058870899384,
"volume_molar": 149.09403618780692,
"formula_full": "La2 Cu1 Ge1",
"formula_reduced": "La2CuGe",
"formula_anonymous": "ABC2",
"energy": -11.79404003,
"energy_per_atom": -2.9485100075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.79404003,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.999956,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:37.733000Z",
"spacegroup": 71
},
{
"id": "mp-1097441",
"created_at": "2022-09-04T14:44:00.143731Z",
"structure_string": "Mg1 In1 Hg2\n1.0\n-6.008806 6.324508 8.499362\n6.008806 -6.324508 8.499362\n6.008806 6.324508 -8.499362\nMg In Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 In\n0.245169 0.000000 0.245169 Hg\n0.754831 0.000000 0.754831 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"In",
"Hg"
],
"chemical_system": "Hg-In-Mg",
"density": 0.6944248110651797,
"density_atomic": 0.00309598426136157,
"volume": 1291.9962319966241,
"volume_molar": 194.51457926183215,
"formula_full": "Mg1 In1 Hg2",
"formula_reduced": "MgInHg2",
"formula_anonymous": "ABC2",
"energy": -1.77012961,
"energy_per_atom": -0.4425324025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.77012961,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.0000375,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:27.025000Z",
"spacegroup": 71
},
{
"id": "mp-1093818",
"created_at": "2022-09-04T14:45:16.423123Z",
"structure_string": "Li1 Cd2 Ir1\n1.0\n-5.439470 5.741305 8.115416\n5.439470 -5.741305 8.115416\n5.439470 5.741305 -8.115416\nLi Cd Ir\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.252124 0.252124 Cd\n0.000000 0.747876 0.747876 Cd\n0.000000 0.500000 0.500000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Cd",
"Ir"
],
"chemical_system": "Cd-Ir-Li",
"density": 0.6944747899268586,
"density_atomic": 0.003945681344078739,
"volume": 1013.766609917138,
"volume_molar": 152.62613056772543,
"formula_full": "Li1 Cd2 Ir1",
"formula_reduced": "LiCd2Ir",
"formula_anonymous": "ABC2",
"energy": -6.10526517,
"energy_per_atom": -1.5263162925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.10526517,
"band_gap": 0.1057000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0001007,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:55.102000Z",
"spacegroup": 71
}
]
}