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=-elements&page=12159",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-elements&page=12157",
"results": [
{
"id": "mp-1180008",
"created_at": "2022-09-04T14:46:21.923170Z",
"structure_string": "O12\n1.0\n4.930603 0.000000 0.000000\n-0.010766 5.122171 0.000000\n-0.147329 -0.086799 7.897326\nO\n12\ndirect\n0.422065 0.729541 0.498860 O\n0.589998 0.281141 0.995694 O\n0.226715 0.085877 0.243923 O\n0.771364 0.911815 0.751483 O\n0.275322 0.584439 0.003756 O\n0.717125 0.408134 0.500425 O\n0.083515 0.219289 0.747131 O\n0.918165 0.776300 0.258352 O\n0.023646 0.975316 0.750631 O\n0.975594 0.020692 0.251409 O\n0.468419 0.483054 0.498427 O\n0.528073 0.524401 0.999910 O\n",
"nsites": 12,
"nelements": 1,
"elements": [
"O"
],
"chemical_system": "O",
"density": 1.5984529786519333,
"density_atomic": 0.06016543644767801,
"volume": 199.45006150558925,
"volume_molar": 10.009302874810967,
"formula_full": "O12",
"formula_reduced": "O",
"formula_anonymous": "A",
"energy": -54.33728669,
"energy_per_atom": -4.528107224166667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -54.33728669,
"band_gap": 1.2773,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:35.227000Z",
"spacegroup": 1
},
{
"id": "mp-1066100",
"created_at": "2022-09-04T14:47:10.476931Z",
"structure_string": "O4\n1.0\n1.262238 -2.186261 0.000000\n1.262238 2.186261 0.000000\n0.000000 0.000000 7.969360\nO\n4\ndirect\n0.333333 0.666667 0.327109 O\n0.666667 0.333333 0.672891 O\n0.666667 0.333333 0.827109 O\n0.333333 0.666667 0.172891 O\n",
"nsites": 4,
"nelements": 1,
"elements": [
"O"
],
"chemical_system": "O",
"density": 2.416106566021988,
"density_atomic": 0.0909417467953352,
"volume": 43.984200226569406,
"volume_molar": 6.6219761245106215,
"formula_full": "O4",
"formula_reduced": "O",
"formula_anonymous": "A",
"energy": -19.28900299,
"energy_per_atom": -4.8222507475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.28900299,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0040816,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:55.239000Z",
"spacegroup": 194
},
{
"id": "mp-607540",
"created_at": "2022-09-04T14:46:58.045403Z",
"structure_string": "O2\n1.0\n0.000000 1.889885 3.898837\n1.501773 0.000000 3.898837\n1.501773 1.889885 0.000000\nO\n2\ndirect\n0.421098 0.421098 0.578902 O\n0.578902 0.578902 0.421098 O\n",
"nsites": 2,
"nelements": 1,
"elements": [
"O"
],
"chemical_system": "O",
"density": 2.4009219653451197,
"density_atomic": 0.09037020159556464,
"volume": 22.13118887297204,
"volume_molar": 6.6638567289591695,
"formula_full": "O2",
"formula_reduced": "O",
"formula_anonymous": "A",
"energy": -9.64872816,
"energy_per_atom": -4.82436408,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.64872816,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010728,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:51.451000Z",
"spacegroup": 69
},
{
"id": "mp-1180036",
"created_at": "2022-09-04T14:43:50.462061Z",
"structure_string": "O4\n1.0\n3.789457 0.000000 0.000000\n0.000000 3.117047 0.000000\n0.000000 1.244525 3.687930\nO\n4\ndirect\n0.305877 0.318705 0.332966 O\n0.305877 0.181295 0.667034 O\n0.694123 0.681295 0.667034 O\n0.694123 0.818705 0.332966 O\n",
"nsites": 4,
"nelements": 1,
"elements": [
"O"
],
"chemical_system": "O",
"density": 2.4395503263764504,
"density_atomic": 0.0918241650413136,
"volume": 43.56151780090041,
"volume_molar": 6.558339797906698,
"formula_full": "O4",
"formula_reduced": "O",
"formula_anonymous": "A",
"energy": -19.67194765,
"energy_per_atom": -4.9179869125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.67194765,
"band_gap": 0.4642999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003003,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:22.780000Z",
"spacegroup": 13
},
{
"id": "mp-734188",
"created_at": "2022-09-04T14:45:30.199651Z",
"structure_string": "O12\n1.0\n5.168494 0.000000 0.000000\n0.000000 5.168494 0.000000\n0.000000 0.000000 7.549121\nO\n12\ndirect\n0.929491 0.268963 0.500842 O\n0.070509 0.731037 0.000842 O\n0.731037 0.929491 0.750842 O\n0.268963 0.070509 0.250842 O\n0.768594 0.429704 0.999202 O\n0.231406 0.570296 0.499202 O\n0.570296 0.768594 0.249202 O\n0.429704 0.231406 0.749202 O\n0.512040 0.009594 0.249943 O\n0.487960 0.990406 0.749943 O\n0.990406 0.512040 0.499943 O\n0.009594 0.487960 0.999943 O\n",
"nsites": 12,
"nelements": 1,
"elements": [
"O"
],
"chemical_system": "O",
"density": 1.5809190054343385,
"density_atomic": 0.05950546135589384,
"volume": 201.66216220440137,
"volume_molar": 10.120316056340474,
"formula_full": "O12",
"formula_reduced": "O",
"formula_anonymous": "A",
"energy": -54.15860544,
"energy_per_atom": -4.51321712,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -54.15860544,
"band_gap": 1.2707000000000002,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.001072,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:04.415000Z",
"spacegroup": 92
},
{
"id": "mp-1057818",
"created_at": "2022-09-04T14:42:24.625342Z",
"structure_string": "O2\n1.0\n0.000000 2.142855 2.142855\n2.142855 0.000000 2.142855\n2.142855 2.142855 0.000000\nO\n2\ndirect\n0.250000 0.250000 0.250000 O\n0.000000 0.000000 0.000000 O\n",
"nsites": 2,
"nelements": 1,
"elements": [
"O"
],
"chemical_system": "O",
"density": 2.7000663693942357,
"density_atomic": 0.1016299345191283,
"volume": 19.679241253703353,
"volume_molar": 5.925558043990024,
"formula_full": "O2",
"formula_reduced": "O",
"formula_anonymous": "A",
"energy": -6.13423966,
"energy_per_atom": -3.06711983,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.13423966,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008017,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:50.200000Z",
"spacegroup": 227
},
{
"id": "mp-1087546",
"created_at": "2022-09-04T14:47:34.137712Z",
"structure_string": "O8\n1.0\n4.565600 3.970196 0.000000\n-4.565600 3.970196 0.000000\n0.000000 2.164898 3.946012\nO\n8\ndirect\n0.711206 0.006915 0.606040 O\n0.993085 0.288794 0.893960 O\n0.288794 0.993085 0.393960 O\n0.006915 0.711206 0.106040 O\n0.598692 0.822027 0.860867 O\n0.177973 0.401308 0.639133 O\n0.401308 0.177973 0.139133 O\n0.822027 0.598692 0.360867 O\n",
"nsites": 8,
"nelements": 1,
"elements": [
"O"
],
"chemical_system": "O",
"density": 1.4857460231158937,
"density_atomic": 0.05592317016829473,
"volume": 143.05340659202378,
"volume_molar": 10.768596883683488,
"formula_full": "O8",
"formula_reduced": "O",
"formula_anonymous": "A",
"energy": -39.43974671,
"energy_per_atom": -4.92996833875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.43974671,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.0015409,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:10.661000Z",
"spacegroup": 15
},
{
"id": "mp-1056059",
"created_at": "2022-09-04T14:47:21.082969Z",
"structure_string": "O1\n1.0\n1.784516 0.000000 0.000000\n0.000000 1.784516 0.000000\n0.000000 0.000000 3.089828\nO\n1\ndirect\n0.000000 0.000000 0.000000 O\n",
"nsites": 1,
"nelements": 1,
"elements": [
"O"
],
"chemical_system": "O",
"density": 2.700085999486939,
"density_atomic": 0.10163067339171998,
"volume": 9.839549091106107,
"volume_molar": 5.925514964157105,
"formula_full": "O1",
"formula_reduced": "O",
"formula_anonymous": "A",
"energy": -3.39040623,
"energy_per_atom": -3.39040623,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.39040623,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002598,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:02.913000Z",
"spacegroup": 123
},
{
"id": "mp-1180064",
"created_at": "2022-09-04T14:48:06.363050Z",
"structure_string": "O10\n1.0\n5.160296 0.000000 0.000000\n-0.023517 5.240192 0.000000\n-0.051073 -0.024406 5.889941\nO\n10\ndirect\n0.866281 0.499618 0.988550 O\n0.094882 0.426418 0.980897 O\n0.374634 0.988089 0.511237 O\n0.601607 0.067239 0.523596 O\n0.500982 0.870895 0.014881 O\n0.427240 0.096182 0.018788 O\n0.925787 0.414374 0.482834 O\n0.986453 0.643905 0.486987 O\n0.610868 0.378399 0.500543 O\n0.111266 0.114881 0.991685 O\n",
"nsites": 10,
"nelements": 1,
"elements": [
"O"
],
"chemical_system": "O",
"density": 1.668092138618401,
"density_atomic": 0.06278663989200188,
"volume": 159.2695518855733,
"volume_molar": 9.591436602370457,
"formula_full": "O10",
"formula_reduced": "O",
"formula_anonymous": "A",
"energy": -45.60947433,
"energy_per_atom": -4.560947433,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -45.60947433,
"band_gap": 0.0423,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9993086,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:28.037000Z",
"spacegroup": 1
},
{
"id": "mp-11534",
"created_at": "2022-09-04T14:47:05.234801Z",
"structure_string": "Np8\n1.0\n4.666573 0.000000 0.000000\n0.000000 4.796107 0.000000\n0.000000 0.000000 6.586571\nNp\n8\ndirect\n0.250000 0.217798 0.044816 Np\n0.750000 0.782202 0.955184 Np\n0.750000 0.717798 0.455184 Np\n0.250000 0.282202 0.544816 Np\n0.250000 0.860069 0.318009 Np\n0.750000 0.139931 0.681991 Np\n0.750000 0.360069 0.181991 Np\n0.250000 0.639931 0.818009 Np\n",
"nsites": 8,
"nelements": 1,
"elements": [
"Np"
],
"chemical_system": "Np",
"density": 21.357043159256772,
"density_atomic": 0.0542679831927789,
"volume": 147.41657104855352,
"volume_molar": 11.097041765136627,
"formula_full": "Np8",
"formula_reduced": "Np",
"formula_anonymous": "A",
"energy": -103.58223745,
"energy_per_atom": -12.94777968125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -103.58223745,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0032839,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:55.450000Z",
"spacegroup": 62
},
{
"id": "mp-7098",
"created_at": "2022-09-04T14:41:09.197358Z",
"structure_string": "Np4\n1.0\n4.613375 0.000000 0.000000\n0.000000 4.613375 0.000000\n0.000000 0.000000 3.469687\nNp\n4\ndirect\n0.500000 0.500000 0.000000 Np\n0.000000 0.000000 0.000000 Np\n0.000000 0.500000 0.681361 Np\n0.500000 0.000000 0.318639 Np\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Np"
],
"chemical_system": "Np",
"density": 21.31717351395562,
"density_atomic": 0.05416667491592752,
"volume": 73.84614259982597,
"volume_molar": 11.117796632979607,
"formula_full": "Np4",
"formula_reduced": "Np",
"formula_anonymous": "A",
"energy": -51.47315778,
"energy_per_atom": -12.868289445,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -51.47315778,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 8.8e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:15.337000Z",
"spacegroup": 129
},
{
"id": "mp-10207",
"created_at": "2022-09-04T14:45:31.292762Z",
"structure_string": "Np1\n1.0\n-1.643450 1.643450 1.643450\n1.643450 -1.643450 1.643450\n1.643450 1.643450 -1.643450\nNp\n1\ndirect\n0.000000 0.000000 0.000000 Np\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Np"
],
"chemical_system": "Np",
"density": 22.165011704054592,
"density_atomic": 0.056321021297465114,
"volume": 17.755359845454503,
"volume_molar": 10.692527623377886,
"formula_full": "Np1",
"formula_reduced": "Np",
"formula_anonymous": "A",
"energy": -12.50028536,
"energy_per_atom": -12.50028536,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.50028536,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.4894022,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:03.081000Z",
"spacegroup": 229
}
]
}