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=energy_per_atom&page=7",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy_per_atom&page=5",
"results": [
{
"id": "mp-975065",
"created_at": "2022-09-04T14:40:23.066188Z",
"structure_string": "Re3\n1.0\n6.782774 -1.392476 0.000000\n6.782774 1.392476 0.000000\n6.496905 0.000000 2.394838\nRe\n3\ndirect\n0.000000 0.000000 0.000000 Re\n0.222337 0.222337 0.222337 Re\n0.777663 0.777663 0.777663 Re\n",
"nsites": 3,
"nelements": 1,
"elements": [
"Re"
],
"chemical_system": "Re",
"density": 20.505254017435366,
"density_atomic": 0.066316264187289,
"volume": 45.237771408948234,
"volume_molar": 9.080940903112992,
"formula_full": "Re3",
"formula_reduced": "Re",
"formula_anonymous": "A",
"energy": -37.27807494,
"energy_per_atom": -12.426024980000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.27807494,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0016805,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:54.127000Z",
"spacegroup": 166
},
{
"id": "mp-1102921",
"created_at": "2022-09-04T14:45:38.596922Z",
"structure_string": "Re8 W4\n1.0\n2.567645 -4.447292 0.000000\n2.567645 4.447292 0.000000\n0.000000 0.000000 8.381436\nRe W\n8 4\ndirect\n0.000000 0.000000 0.500000 Re\n0.000000 0.000000 0.000000 Re\n0.827605 0.172395 0.250000 Re\n0.827605 0.655210 0.250000 Re\n0.344790 0.172395 0.250000 Re\n0.172395 0.827605 0.750000 Re\n0.172395 0.344790 0.750000 Re\n0.655210 0.827605 0.750000 Re\n0.333333 0.666667 0.433351 W\n0.666667 0.333333 0.566649 W\n0.666667 0.333333 0.933351 W\n0.333333 0.666667 0.066649 W\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Re",
"W"
],
"chemical_system": "Re-W",
"density": 19.30203875652327,
"density_atomic": 0.06269056638887725,
"volume": 191.41635960923583,
"volume_molar": 9.606135511113306,
"formula_full": "Re8 W4",
"formula_reduced": "Re2W",
"formula_anonymous": "AB2",
"energy": -149.06403364,
"energy_per_atom": -12.422002803333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -149.06403364,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001588,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:11.760000Z",
"spacegroup": 194
},
{
"id": "mp-806",
"created_at": "2022-09-04T14:41:47.928111Z",
"structure_string": "Pu1 O1\n1.0\n0.000000 2.487380 2.487380\n2.487380 0.000000 2.487380\n2.487380 2.487380 0.000000\nPu O\n1 1\ndirect\n0.500000 0.500000 0.500000 Pu\n0.000000 0.000000 0.000000 O\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Pu",
"O"
],
"chemical_system": "O-Pu",
"density": 14.027007638378475,
"density_atomic": 0.06497908415873445,
"volume": 30.77913494616654,
"volume_molar": 9.267814155842496,
"formula_full": "Pu1 O1",
"formula_reduced": "PuO",
"formula_anonymous": "AB",
"energy": -24.818248,
"energy_per_atom": -12.409124,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.131248,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.6014285,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:24.629000Z",
"spacegroup": 225
},
{
"id": "mp-1992",
"created_at": "2022-09-04T14:39:08.958739Z",
"structure_string": "Pu10 Ru6\n1.0\n-5.411437 5.411437 2.834548\n5.411437 -5.411437 2.834548\n5.411437 5.411437 -2.834548\nPu Ru\n10 6\ndirect\n0.718086 0.587956 0.306041 Pu\n0.281914 0.412044 0.693959 Pu\n0.587956 0.281914 0.869870 Pu\n0.412044 0.718086 0.130130 Pu\n0.087956 0.218086 0.306041 Pu\n0.781914 0.087956 0.869870 Pu\n0.218086 0.912044 0.130130 Pu\n0.912044 0.781914 0.693959 Pu\n0.750000 0.250000 0.500000 Pu\n0.250000 0.750000 0.500000 Pu\n0.147222 0.647222 0.794443 Ru\n0.352779 0.147222 0.500000 Ru\n0.647222 0.852779 0.500000 Ru\n0.852779 0.352779 0.205557 Ru\n0.750000 0.750000 0.000000 Ru\n0.250000 0.250000 0.000000 Ru\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Pu",
"Ru"
],
"chemical_system": "Pu-Ru",
"density": 15.235961088337492,
"density_atomic": 0.04818933821052072,
"volume": 332.0236507524163,
"volume_molar": 12.496832253000818,
"formula_full": "Pu10 Ru6",
"formula_reduced": "Pu5Ru3",
"formula_anonymous": "A3B5",
"energy": -198.24715026,
"energy_per_atom": -12.39044689125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -198.24715026,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 40.0315739,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:26.975000Z",
"spacegroup": 140
},
{
"id": "mp-8642",
"created_at": "2022-09-04T14:45:19.151549Z",
"structure_string": "Re1\n1.0\n0.000000 1.962476 1.962476\n1.962476 0.000000 1.962476\n1.962476 1.962476 0.000000\nRe\n1\ndirect\n0.000000 0.000000 0.000000 Re\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Re"
],
"chemical_system": "Re",
"density": 20.455120497629814,
"density_atomic": 0.0661541268277012,
"volume": 15.116214935532374,
"volume_molar": 9.103197410019028,
"formula_full": "Re1",
"formula_reduced": "Re",
"formula_anonymous": "A",
"energy": -12.38177043,
"energy_per_atom": -12.38177043,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.38177043,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003437,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:01.959000Z",
"spacegroup": 225
},
{
"id": "mp-1192771",
"created_at": "2022-09-04T14:40:22.183106Z",
"structure_string": "Os10 W20\n1.0\n9.712505 0.000000 0.000000\n0.000000 9.712505 0.000000\n0.000000 0.000000 5.004677\nOs W\n10 20\ndirect\n0.500000 0.500000 0.500000 Os\n0.000000 0.000000 0.000000 Os\n0.431386 0.236089 0.500000 Os\n0.568614 0.763911 0.500000 Os\n0.068614 0.736089 0.000000 Os\n0.931386 0.263911 0.000000 Os\n0.236089 0.431386 0.500000 Os\n0.763911 0.568614 0.500000 Os\n0.736089 0.068614 0.000000 Os\n0.263911 0.931386 0.000000 Os\n0.103626 0.896374 0.500000 W\n0.896374 0.103626 0.500000 W\n0.396374 0.396374 0.000000 W\n0.603626 0.603626 0.000000 W\n0.369018 0.962688 0.500000 W\n0.630982 0.037312 0.500000 W\n0.130982 0.462688 0.000000 W\n0.869018 0.537312 0.000000 W\n0.962688 0.369018 0.500000 W\n0.037312 0.630982 0.500000 W\n0.462688 0.130982 0.000000 W\n0.537312 0.869018 0.000000 W\n0.319349 0.680651 0.249801 W\n0.680651 0.319349 0.249801 W\n0.180651 0.180651 0.749801 W\n0.819349 0.819349 0.749801 W\n0.680651 0.319349 0.750199 W\n0.319349 0.680651 0.750199 W\n0.819349 0.819349 0.250199 W\n0.180651 0.180651 0.250199 W\n",
"nsites": 30,
"nelements": 2,
"elements": [
"Os",
"W"
],
"chemical_system": "Os-W",
"density": 19.623419088104253,
"density_atomic": 0.06354519115011743,
"volume": 472.10496116266,
"volume_molar": 9.47694176538624,
"formula_full": "Os10 W20",
"formula_reduced": "OsW2",
"formula_anonymous": "AB2",
"energy": -371.32889527,
"energy_per_atom": -12.377629842333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -371.32889527,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0282153,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:51.064000Z",
"spacegroup": 136
},
{
"id": "mp-1102741",
"created_at": "2022-09-04T14:47:27.133458Z",
"structure_string": "Pu4 Os8\n1.0\n-2.672677 -4.629742 0.000000\n-2.672677 4.629742 0.000000\n0.000000 0.000000 -8.742671\nPu Os\n4 8\ndirect\n0.666681 0.333319 0.567525 Pu\n0.333319 0.666681 0.432475 Pu\n0.333319 0.666681 0.067525 Pu\n0.666681 0.333319 0.932475 Pu\n0.000000 0.000000 0.500000 Os\n0.000000 0.000000 0.000000 Os\n0.170989 0.341882 0.750000 Os\n0.170912 0.829088 0.750000 Os\n0.658118 0.829011 0.750000 Os\n0.829011 0.658118 0.250000 Os\n0.829088 0.170912 0.250000 Os\n0.341882 0.170989 0.250000 Os\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Pu",
"Os"
],
"chemical_system": "Os-Pu",
"density": 19.170626948000304,
"density_atomic": 0.05546306279579323,
"volume": 216.3602115552511,
"volume_molar": 10.85793040707584,
"formula_full": "Pu4 Os8",
"formula_reduced": "PuOs2",
"formula_anonymous": "AB2",
"energy": -148.35237215,
"energy_per_atom": -12.362697679166667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -148.35237215,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 17.1496513,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:13.571000Z",
"spacegroup": 194
},
{
"id": "mp-1217894",
"created_at": "2022-09-04T14:40:10.300989Z",
"structure_string": "Ta1 Re1\n1.0\n1.599387 -2.302371 0.000000\n1.599387 2.302371 0.000000\n0.000000 0.000000 4.467671\nTa Re\n1 1\ndirect\n0.500000 0.500000 0.500000 Ta\n0.000000 0.000000 0.000000 Re\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ta",
"Re"
],
"chemical_system": "Re-Ta",
"density": 18.529271914578253,
"density_atomic": 0.06078409399786087,
"volume": 32.903344747893826,
"volume_molar": 9.907428677331167,
"formula_full": "Ta1 Re1",
"formula_reduced": "TaRe",
"formula_anonymous": "AB",
"energy": -24.70207745,
"energy_per_atom": -12.351038725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.70207745,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002459,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:48.265000Z",
"spacegroup": 65
},
{
"id": "mp-1186818",
"created_at": "2022-09-04T14:40:21.481222Z",
"structure_string": "Pu6 Th2\n1.0\n3.447980 -5.972076 0.000000\n3.447980 5.972076 0.000000\n0.000000 0.000000 5.439356\nPu Th\n6 2\ndirect\n0.163522 0.327044 0.250000 Pu\n0.672956 0.836478 0.250000 Pu\n0.163522 0.836478 0.250000 Pu\n0.836478 0.672956 0.750000 Pu\n0.327044 0.163522 0.750000 Pu\n0.836478 0.163522 0.750000 Pu\n0.333333 0.666667 0.750000 Th\n0.666667 0.333333 0.250000 Th\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Pu",
"Th"
],
"chemical_system": "Pu-Th",
"density": 14.292418677223996,
"density_atomic": 0.03571268010096622,
"volume": 224.01007085949726,
"volume_molar": 16.862752229668335,
"formula_full": "Pu6 Th2",
"formula_reduced": "Pu3Th",
"formula_anonymous": "AB3",
"energy": -98.75968367,
"energy_per_atom": -12.34496045875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -98.75968367,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 34.5604525,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:53.330000Z",
"spacegroup": 194
},
{
"id": "mp-1186822",
"created_at": "2022-09-04T14:40:59.110666Z",
"structure_string": "Pu3 Th1\n1.0\n-2.344502 2.344502 4.727894\n2.344502 -2.344502 4.727894\n2.344502 2.344502 -4.727894\nPu Th\n3 1\ndirect\n0.750000 0.250000 0.500000 Pu\n0.250000 0.750000 0.500000 Pu\n0.500000 0.500000 0.000000 Pu\n0.000000 0.000000 0.000000 Th\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Pu",
"Th"
],
"chemical_system": "Pu-Th",
"density": 15.399773740975764,
"density_atomic": 0.03847964474446441,
"volume": 103.95106364840936,
"volume_molar": 15.650198436061007,
"formula_full": "Pu3 Th1",
"formula_reduced": "Pu3Th",
"formula_anonymous": "AB3",
"energy": -49.3555432,
"energy_per_atom": -12.3388858,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -49.3555432,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 16.0627974,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:10.321000Z",
"spacegroup": 139
},
{
"id": "mp-1103459",
"created_at": "2022-09-04T14:41:24.118975Z",
"structure_string": "Np4 Re8\n1.0\n-2.553378 -4.495266 0.000000\n-2.553378 4.495266 0.000000\n0.000000 0.000000 -9.400734\nNp Re\n4 8\ndirect\n0.669020 0.330980 0.552647 Np\n0.330980 0.669020 0.447353 Np\n0.330980 0.669020 0.052647 Np\n0.669020 0.330980 0.947353 Np\n0.000000 0.000000 0.500000 Re\n0.000000 0.000000 0.000000 Re\n0.169851 0.336986 0.750000 Re\n0.169067 0.830933 0.750000 Re\n0.663014 0.830149 0.750000 Re\n0.830149 0.663014 0.250000 Re\n0.830933 0.169067 0.250000 Re\n0.336986 0.169851 0.250000 Re\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Np",
"Re"
],
"chemical_system": "Np-Re",
"density": 18.756821621404512,
"density_atomic": 0.05560565726419708,
"volume": 215.80538007103934,
"volume_molar": 10.83008646294248,
"formula_full": "Np4 Re8",
"formula_reduced": "NpRe2",
"formula_anonymous": "AB2",
"energy": -147.9294246,
"energy_per_atom": -12.32745205,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -147.9294246,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.4583438,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:19.098000Z",
"spacegroup": 194
},
{
"id": "mp-1224674",
"created_at": "2022-09-04T14:46:00.160883Z",
"structure_string": "Gd2 O3\n1.0\n3.839170 0.000000 0.000000\n0.000000 3.839170 0.000000\n0.000000 0.000000 5.637478\nGd O\n2 3\ndirect\n0.500000 0.000000 0.785105 Gd\n0.000000 0.500000 0.214895 Gd\n0.000000 0.000000 0.000000 O\n0.500000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Gd",
"O"
],
"chemical_system": "Gd-O",
"density": 7.244282957055915,
"density_atomic": 0.06017421836540982,
"volume": 83.0920639406954,
"volume_molar": 10.00784210179576,
"formula_full": "Gd2 O3",
"formula_reduced": "Gd2O3",
"formula_anonymous": "A2B3",
"energy": -61.438060930000006,
"energy_per_atom": -12.287612186,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -59.37706093,
"band_gap": 1.3250000000000002,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 14.4114499,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:19.484000Z",
"spacegroup": 115
}
]
}