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=12165",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=density&page=12163",
"results": [
{
"id": "mp-1077278",
"created_at": "2022-09-04T14:44:41.157686Z",
"structure_string": "Pu1 B2 Os3\n1.0\n0.001044 0.000602 2.969065\n5.595785 -0.001373 0.002759\n-2.799082 4.848152 0.000000\nPu B Os\n1 2 3\ndirect\n0.000000 0.000000 0.000000 Pu\n0.000177 0.334035 0.667018 B\n0.999823 0.665965 0.332982 B\n0.500000 0.500000 0.500000 Os\n0.500000 0.000000 0.500000 Os\n0.500000 0.500000 0.000000 Os\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Pu",
"B",
"Os"
],
"chemical_system": "B-Os-Pu",
"density": 17.24336813924327,
"density_atomic": 0.07449994031909707,
"volume": 80.53697726871843,
"volume_molar": 8.083416891619045,
"formula_full": "Pu1 B2 Os3",
"formula_reduced": "PuB2Os3",
"formula_anonymous": "AB2C3",
"energy": -61.75058992,
"energy_per_atom": -10.291764986666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -61.75058992,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0572467,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:41.750000Z",
"spacegroup": 191
},
{
"id": "mp-20272",
"created_at": "2022-09-04T14:48:06.756117Z",
"structure_string": "Gd1 Pt3\n1.0\n4.149490 0.000000 0.000000\n0.000000 4.149490 0.000000\n0.000000 0.000000 4.149490\nGd Pt\n1 3\ndirect\n0.000000 0.000000 0.000000 Gd\n0.000000 0.500000 0.500000 Pt\n0.500000 0.500000 0.000000 Pt\n0.500000 0.000000 0.500000 Pt\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Gd",
"Pt"
],
"chemical_system": "Gd-Pt",
"density": 17.256891094948458,
"density_atomic": 0.05598553393239821,
"volume": 71.44702781311234,
"volume_molar": 10.756601459354938,
"formula_full": "Gd1 Pt3",
"formula_reduced": "GdPt3",
"formula_anonymous": "AB3",
"energy": -36.05984875,
"energy_per_atom": -9.0149621875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -36.05984875,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.0884638,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:23.622000Z",
"spacegroup": 221
},
{
"id": "mp-1079296",
"created_at": "2022-09-04T14:46:01.071302Z",
"structure_string": "Hf2 Au6\n1.0\n4.876335 0.000000 0.000000\n0.000000 4.968877 0.000000\n0.000000 0.000000 6.106110\nHf Au\n2 6\ndirect\n0.500000 0.657789 0.500000 Hf\n0.000000 0.342211 0.000000 Hf\n0.500000 0.161359 0.751202 Au\n0.500000 0.161359 0.248798 Au\n0.000000 0.838641 0.748798 Au\n0.000000 0.838641 0.251202 Au\n0.000000 0.347349 0.500000 Au\n0.500000 0.652651 0.000000 Au\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Hf",
"Au"
],
"chemical_system": "Au-Hf",
"density": 17.270665047114395,
"density_atomic": 0.054072143166052154,
"volume": 147.9504885802751,
"volume_molar": 11.137233346764864,
"formula_full": "Hf2 Au6",
"formula_reduced": "HfAu3",
"formula_anonymous": "AB3",
"energy": -43.40866184,
"energy_per_atom": -5.42608273,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -43.40866184,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0025944,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:17.437000Z",
"spacegroup": 59
},
{
"id": "mp-1186895",
"created_at": "2022-09-04T14:48:15.616280Z",
"structure_string": "Re3 H1\n1.0\n0.000000 2.995851 2.995851\n2.995851 0.000000 2.995851\n2.995851 2.995851 0.000000\nRe H\n3 1\ndirect\n0.250000 0.250000 0.250000 Re\n0.750000 0.750000 0.750000 Re\n0.500000 0.500000 0.500000 Re\n0.000000 0.000000 0.000000 H\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Re",
"H"
],
"chemical_system": "H-Re",
"density": 17.280592839870263,
"density_atomic": 0.07438225945492379,
"volume": 53.77626371277456,
"volume_molar": 8.096205740630216,
"formula_full": "Re3 H1",
"formula_reduced": "Re3H",
"formula_anonymous": "AB3",
"energy": -37.61661015,
"energy_per_atom": -9.4041525375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.43761015,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000979,
"is_theoretical": true,
"updated_at": "2021-11-28T01:40:04.153000Z",
"spacegroup": 225
},
{
"id": "mp-866299",
"created_at": "2022-09-04T14:45:40.956993Z",
"structure_string": "Er1 Ta1 Os2\n1.0\n0.000000 3.271258 3.271258\n3.271258 0.000000 3.271258\n3.271258 3.271258 0.000000\nEr Ta Os\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Er\n0.000000 0.000000 0.000000 Ta\n0.250000 0.250000 0.250000 Os\n0.750000 0.750000 0.750000 Os\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Er",
"Ta",
"Os"
],
"chemical_system": "Er-Os-Ta",
"density": 17.282387504917285,
"density_atomic": 0.057132812326776194,
"volume": 70.0123070630874,
"volume_molar": 10.540599201656365,
"formula_full": "Er1 Ta1 Os2",
"formula_reduced": "ErTaOs2",
"formula_anonymous": "ABC2",
"energy": -40.00986594,
"energy_per_atom": -10.002466485,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.00986594,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.91e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:08.593000Z",
"spacegroup": 225
},
{
"id": "mp-974426",
"created_at": "2022-09-04T14:46:41.818448Z",
"structure_string": "Re6 Sn2\n1.0\n2.863660 -4.960005 0.000000\n2.863660 4.960005 0.000000\n0.000000 0.000000 4.581331\nRe Sn\n6 2\ndirect\n0.164365 0.328731 0.250000 Re\n0.671269 0.835635 0.250000 Re\n0.164365 0.835635 0.250000 Re\n0.835635 0.671269 0.750000 Re\n0.328731 0.164365 0.750000 Re\n0.835635 0.164365 0.750000 Re\n0.333333 0.666667 0.750000 Sn\n0.666667 0.333333 0.250000 Sn\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Re",
"Sn"
],
"chemical_system": "Re-Sn",
"density": 17.28442005144722,
"density_atomic": 0.06147021798249459,
"volume": 130.1443245618265,
"volume_molar": 9.796843020330556,
"formula_full": "Re6 Sn2",
"formula_reduced": "Re3Sn",
"formula_anonymous": "AB3",
"energy": -78.29635814,
"energy_per_atom": -9.7870447675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -78.29635814,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009683,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:46.186000Z",
"spacegroup": 194
},
{
"id": "mp-1105762",
"created_at": "2022-09-04T14:40:01.927350Z",
"structure_string": "U8 Ir8\n1.0\n10.630335 0.000000 0.000000\n0.000000 5.597811 0.000000\n0.000000 0.818972 5.554419\nU Ir\n8 8\ndirect\n0.496142 0.102668 0.868712 U\n0.996142 0.897332 0.131288 U\n0.492177 0.653460 0.387249 U\n0.992177 0.346540 0.612751 U\n0.222315 0.400547 0.143166 U\n0.722315 0.599453 0.856834 U\n0.225258 0.843329 0.604365 U\n0.725258 0.156671 0.395635 U\n0.757986 0.094818 0.901277 Ir\n0.257986 0.905182 0.098723 Ir\n0.755289 0.660329 0.349168 Ir\n0.255289 0.339671 0.650832 Ir\n0.958690 0.398304 0.107187 Ir\n0.458690 0.601696 0.892813 Ir\n0.960144 0.846698 0.638612 Ir\n0.460144 0.153302 0.361388 Ir\n",
"nsites": 16,
"nelements": 2,
"elements": [
"U",
"Ir"
],
"chemical_system": "Ir-U",
"density": 17.29227028162275,
"density_atomic": 0.04840789107414612,
"volume": 330.5246240843849,
"volume_molar": 12.440411318014077,
"formula_full": "U8 Ir8",
"formula_reduced": "UIr",
"formula_anonymous": "AB",
"energy": -168.99018252,
"energy_per_atom": -10.5618864075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -168.99018252,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.2414962,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:46.956000Z",
"spacegroup": 4
},
{
"id": "mp-1025353",
"created_at": "2022-09-04T14:39:24.915952Z",
"structure_string": "Tl1 As1 Pt5\n1.0\n4.073266 0.000000 0.000000\n0.000000 4.073266 0.000000\n0.000000 0.000000 7.261422\nTl As Pt\n1 1 5\ndirect\n0.500000 0.500000 0.000000 Tl\n0.000000 0.000000 0.500000 As\n0.000000 0.500000 0.290207 Pt\n0.000000 0.500000 0.709793 Pt\n0.500000 0.000000 0.290207 Pt\n0.500000 0.000000 0.709793 Pt\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Tl",
"As",
"Pt"
],
"chemical_system": "As-Pt-Tl",
"density": 17.29379845055219,
"density_atomic": 0.05810196482607461,
"volume": 120.47785339022798,
"volume_molar": 10.36477987969423,
"formula_full": "Tl1 As1 Pt5",
"formula_reduced": "TlAsPt5",
"formula_anonymous": "ABC5",
"energy": -38.29688424,
"energy_per_atom": -5.470983462857142,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.29688424,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0020769,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:29.973000Z",
"spacegroup": 123
},
{
"id": "mp-974417",
"created_at": "2022-09-04T14:47:03.529584Z",
"structure_string": "Re3 Sb1\n1.0\n0.000000 3.196552 3.196552\n3.196552 0.000000 3.196552\n3.196552 3.196552 0.000000\nRe Sb\n3 1\ndirect\n0.250000 0.250000 0.250000 Re\n0.750000 0.750000 0.750000 Re\n0.500000 0.500000 0.500000 Re\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Re",
"Sb"
],
"chemical_system": "Re-Sb",
"density": 17.295214707425224,
"density_atomic": 0.0612328783305415,
"volume": 65.3243830611323,
"volume_molar": 9.83481574635746,
"formula_full": "Re3 Sb1",
"formula_reduced": "Re3Sb",
"formula_anonymous": "AB3",
"energy": -39.12446803,
"energy_per_atom": -9.7811170075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.93246803,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0046016,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:57.438000Z",
"spacegroup": 225
},
{
"id": "mp-1584",
"created_at": "2022-09-04T14:43:58.363472Z",
"structure_string": "Yb2 Ir4\n1.0\n0.000000 3.768375 3.768375\n3.768375 0.000000 3.768375\n3.768375 3.768375 0.000000\nYb Ir\n2 4\ndirect\n0.500000 0.500000 0.500000 Yb\n0.750000 0.750000 0.750000 Yb\n0.625000 0.125000 0.125000 Ir\n0.125000 0.125000 0.125000 Ir\n0.125000 0.125000 0.625000 Ir\n0.125000 0.625000 0.125000 Ir\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Yb",
"Ir"
],
"chemical_system": "Ir-Yb",
"density": 17.298616580791386,
"density_atomic": 0.05606075119492363,
"volume": 107.02674994735546,
"volume_molar": 10.742169221138285,
"formula_full": "Yb2 Ir4",
"formula_reduced": "YbIr2",
"formula_anonymous": "AB2",
"energy": -42.18644365,
"energy_per_atom": -7.0310739416666665,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -42.18644365,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0063253,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:08.059000Z",
"spacegroup": 227
},
{
"id": "mp-631480",
"created_at": "2022-09-04T14:46:08.499674Z",
"structure_string": "Ir1 Os2 Br1\n1.0\n0.000000 3.151626 3.151626\n3.151626 0.000000 3.151626\n3.151626 3.151626 0.000000\nIr Os Br\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Ir\n0.250000 0.250000 0.250000 Os\n0.750000 0.750000 0.750000 Os\n0.000000 0.000000 0.000000 Br\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ir",
"Os",
"Br"
],
"chemical_system": "Br-Ir-Os",
"density": 17.308104275283384,
"density_atomic": 0.06388898252969953,
"volume": 62.60860388785427,
"volume_molar": 9.425945634993543,
"formula_full": "Ir1 Os2 Br1",
"formula_reduced": "IrOs2Br",
"formula_anonymous": "ABC2",
"energy": -28.04004891,
"energy_per_atom": -7.0100122275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.50604891,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0020489,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:27.024000Z",
"spacegroup": 225
},
{
"id": "mp-974432",
"created_at": "2022-09-04T14:44:31.399128Z",
"structure_string": "Re3 Sn1\n1.0\n-1.971333 1.971333 4.179866\n1.971333 -1.971333 4.179866\n1.971333 1.971333 -4.179866\nRe Sn\n3 1\ndirect\n0.750000 0.250000 0.500000 Re\n0.250000 0.750000 0.500000 Re\n0.500000 0.500000 0.000000 Re\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Re",
"Sn"
],
"chemical_system": "Re-Sn",
"density": 17.310424402296636,
"density_atomic": 0.06156269971520237,
"volume": 64.97440850554894,
"volume_molar": 9.782125845453923,
"formula_full": "Re3 Sn1",
"formula_reduced": "Re3Sn",
"formula_anonymous": "AB3",
"energy": -39.12779376,
"energy_per_atom": -9.78194844,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.12779376,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0877546,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:45.344000Z",
"spacegroup": 139
}
]
}