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=12186",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=density&page=12184",
"results": [
{
"id": "mp-1186410",
"created_at": "2022-09-04T14:47:03.536314Z",
"structure_string": "Np2 Pt6\n1.0\n2.872864 -4.975947 0.000000\n2.872864 4.975947 0.000000\n0.000000 0.000000 4.987184\nNp Pt\n2 6\ndirect\n0.666667 0.333333 0.250000 Np\n0.333333 0.666667 0.750000 Np\n0.834284 0.165716 0.750000 Pt\n0.331432 0.165716 0.750000 Pt\n0.834284 0.668568 0.750000 Pt\n0.165716 0.834284 0.250000 Pt\n0.668568 0.834284 0.250000 Pt\n0.165716 0.331432 0.250000 Pt\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Np",
"Pt"
],
"chemical_system": "Np-Pt",
"density": 19.1517220969696,
"density_atomic": 0.05610657866649659,
"volume": 142.5857749686154,
"volume_molar": 10.733395090433582,
"formula_full": "Np2 Pt6",
"formula_reduced": "NpPt3",
"formula_anonymous": "AB3",
"energy": -65.64168071,
"energy_per_atom": -8.20521008875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -65.64168071,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.1890234,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:52.771000Z",
"spacegroup": 194
},
{
"id": "mp-1186060",
"created_at": "2022-09-04T14:44:10.908924Z",
"structure_string": "Mn2 Os6\n1.0\n2.709367 -4.692761 0.000000\n2.709367 4.692761 0.000000\n0.000000 0.000000 4.265543\nMn Os\n2 6\ndirect\n0.666667 0.333333 0.250000 Mn\n0.333333 0.666667 0.750000 Mn\n0.829415 0.170585 0.750000 Os\n0.341171 0.170585 0.750000 Os\n0.658829 0.829415 0.250000 Os\n0.170585 0.829415 0.250000 Os\n0.829415 0.658829 0.750000 Os\n0.170585 0.341171 0.250000 Os\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mn",
"Os"
],
"chemical_system": "Mn-Os",
"density": 19.155553636029815,
"density_atomic": 0.07375464785742873,
"volume": 108.46774043941453,
"volume_molar": 8.165100010566231,
"formula_full": "Mn2 Os6",
"formula_reduced": "MnOs3",
"formula_anonymous": "AB3",
"energy": -85.94216152,
"energy_per_atom": -10.74277019,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -85.94216152,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004617,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:31.208000Z",
"spacegroup": 194
},
{
"id": "mp-571499",
"created_at": "2022-09-04T14:45:03.812721Z",
"structure_string": "Ta6 Ir6\n1.0\n2.880524 0.000000 0.000000\n0.000000 4.864434 0.000000\n0.000000 0.000000 13.851607\nTa Ir\n6 6\ndirect\n0.000000 0.948795 0.750000 Ta\n0.000000 0.325439 0.914472 Ta\n0.000000 0.674561 0.414472 Ta\n0.000000 0.674561 0.085528 Ta\n0.000000 0.051205 0.250000 Ta\n0.000000 0.325439 0.585528 Ta\n0.500000 0.458628 0.750000 Ir\n0.500000 0.541372 0.250000 Ir\n0.500000 0.823329 0.918037 Ir\n0.500000 0.823329 0.581963 Ir\n0.500000 0.176671 0.081963 Ir\n0.500000 0.176671 0.418037 Ir\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Ta",
"Ir"
],
"chemical_system": "Ir-Ta",
"density": 19.15566075676073,
"density_atomic": 0.06182687152546967,
"volume": 194.09036401035723,
"volume_molar": 9.740329101916744,
"formula_full": "Ta6 Ir6",
"formula_reduced": "TaIr",
"formula_anonymous": "AB",
"energy": -131.3740942,
"energy_per_atom": -10.947841183333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -131.3740942,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0038926,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:52.375000Z",
"spacegroup": 51
},
{
"id": "mp-977325",
"created_at": "2022-09-04T14:39:40.150463Z",
"structure_string": "Np3 Be1\n1.0\n0.000000 3.148109 3.148109\n3.148109 0.000000 3.148109\n3.148109 3.148109 0.000000\nNp Be\n3 1\ndirect\n0.750000 0.750000 0.750000 Np\n0.250000 0.250000 0.250000 Np\n0.500000 0.500000 0.500000 Np\n0.000000 0.000000 0.000000 Be\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Np",
"Be"
],
"chemical_system": "Be-Np",
"density": 19.1606246536375,
"density_atomic": 0.06410334804785671,
"volume": 62.399236885626905,
"volume_molar": 9.394424696045732,
"formula_full": "Np3 Be1",
"formula_reduced": "Np3Be",
"formula_anonymous": "AB3",
"energy": -41.61802209,
"energy_per_atom": -10.4045055225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -41.61802209,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0036975,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:38.394000Z",
"spacegroup": 225
},
{
"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-1219494",
"created_at": "2022-09-04T14:40:54.068924Z",
"structure_string": "Re1 W4\n1.0\n0.000000 2.247774 11.198225\n1.585080 0.000000 11.198225\n1.585080 2.247774 0.000000\nRe W\n1 4\ndirect\n0.000000 0.000000 0.000000 Re\n0.400444 0.400444 0.599556 W\n0.800212 0.800212 0.199788 W\n0.199788 0.199788 0.800212 W\n0.599556 0.599556 0.400444 W\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Re",
"W"
],
"chemical_system": "Re-W",
"density": 19.177544437300895,
"density_atomic": 0.06265950933165566,
"volume": 79.79634780628571,
"volume_molar": 9.610896772467395,
"formula_full": "Re1 W4",
"formula_reduced": "ReW4",
"formula_anonymous": "AB4",
"energy": -64.0672538,
"energy_per_atom": -12.81345076,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -64.0672538,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0200311,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:00.497000Z",
"spacegroup": 69
},
{
"id": "mp-1102439",
"created_at": "2022-09-04T14:41:49.130970Z",
"structure_string": "U4 Os8\n1.0\n5.383583 0.000000 0.000000\n-2.691791 4.662319 0.000000\n0.000000 0.000000 8.531663\nU Os\n4 8\ndirect\n0.333333 0.666667 0.424219 U\n0.666667 0.333333 0.575781 U\n0.666667 0.333333 0.924219 U\n0.333333 0.666667 0.075781 U\n0.000000 0.000000 0.500000 Os\n0.000000 0.000000 0.000000 Os\n0.829675 0.170325 0.250000 Os\n0.829675 0.659351 0.250000 Os\n0.340649 0.170325 0.250000 Os\n0.170325 0.829675 0.750000 Os\n0.170325 0.340649 0.750000 Os\n0.659351 0.829675 0.750000 Os\n",
"nsites": 12,
"nelements": 2,
"elements": [
"U",
"Os"
],
"chemical_system": "Os-U",
"density": 19.18376806017207,
"density_atomic": 0.056036906921486496,
"volume": 214.14458183449065,
"volume_molar": 10.746740123322013,
"formula_full": "U4 Os8",
"formula_reduced": "UOs2",
"formula_anonymous": "AB2",
"energy": -136.07876918,
"energy_per_atom": -11.339897431666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -136.07876918,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.4585066,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:30.588000Z",
"spacegroup": 194
},
{
"id": "mp-1178958",
"created_at": "2022-09-04T14:39:20.455158Z",
"structure_string": "U8\n1.0\n6.607670 0.000000 0.000000\n0.000000 5.097814 0.000000\n0.000000 0.000000 4.890638\nU\n8\ndirect\n0.792821 0.314219 0.250000 U\n0.292821 0.185781 0.250000 U\n0.207179 0.685781 0.750000 U\n0.707179 0.814219 0.750000 U\n0.545517 0.700203 0.250000 U\n0.045517 0.799797 0.250000 U\n0.454483 0.299797 0.750000 U\n0.954483 0.200203 0.750000 U\n",
"nsites": 8,
"nelements": 1,
"elements": [
"U"
],
"chemical_system": "U",
"density": 19.19424099589596,
"density_atomic": 0.04856150502835712,
"volume": 164.7395399983683,
"volume_molar": 12.4010587325978,
"formula_full": "U8",
"formula_reduced": "U",
"formula_anonymous": "A",
"energy": -90.01564688,
"energy_per_atom": -11.25195586,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -90.01564688,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0071443,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:28.944000Z",
"spacegroup": 62
},
{
"id": "mp-1186350",
"created_at": "2022-09-04T14:40:42.795507Z",
"structure_string": "Ni1 Ir3\n1.0\n-1.898299 1.898299 3.812526\n1.898299 -1.898299 3.812526\n1.898299 1.898299 -3.812526\nNi Ir\n1 3\ndirect\n0.000000 0.000000 0.000000 Ni\n0.750000 0.250000 0.500000 Ir\n0.250000 0.750000 0.500000 Ir\n0.500000 0.500000 0.000000 Ir\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ni",
"Ir"
],
"chemical_system": "Ir-Ni",
"density": 19.19801207443626,
"density_atomic": 0.07278769188137217,
"volume": 54.95434594243096,
"volume_molar": 8.273570165976354,
"formula_full": "Ni1 Ir3",
"formula_reduced": "NiIr3",
"formula_anonymous": "AB3",
"energy": -32.32184702,
"energy_per_atom": -8.080461755,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.32184702,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.2283473,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:08.783000Z",
"spacegroup": 139
},
{
"id": "mp-30849",
"created_at": "2022-09-04T14:44:18.125390Z",
"structure_string": "Ta2 Pt4\n1.0\n2.426657 -4.247978 0.000000\n2.426657 4.247978 0.000000\n0.000000 0.000000 4.790695\nTa Pt\n2 4\ndirect\n0.771617 0.771617 0.250000 Ta\n0.228383 0.228383 0.750000 Ta\n0.121723 0.445669 0.250000 Pt\n0.554331 0.878277 0.750000 Pt\n0.878277 0.554331 0.750000 Pt\n0.445669 0.121723 0.250000 Pt\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ta",
"Pt"
],
"chemical_system": "Pt-Ta",
"density": 19.20366660789256,
"density_atomic": 0.06074801323724666,
"volume": 98.76866222056455,
"volume_molar": 9.913313109485562,
"formula_full": "Ta2 Pt4",
"formula_reduced": "TaPt2",
"formula_anonymous": "AB2",
"energy": -52.4810049,
"energy_per_atom": -8.74683415,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -52.4810049,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004461,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:35.228000Z",
"spacegroup": 63
},
{
"id": "mp-1224016",
"created_at": "2022-09-04T14:46:58.914368Z",
"structure_string": "Hg1 Pt3\n1.0\n-2.074593 -1.462627 1.462627\n-2.074593 1.462627 -1.462627\n0.000000 -5.590129 -5.590129\nHg Pt\n1 3\ndirect\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.263602 Pt\n0.000000 0.000000 0.500000 Pt\n0.500000 0.500000 0.736398 Pt\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Hg",
"Pt"
],
"chemical_system": "Hg-Pt",
"density": 19.232512267605365,
"density_atomic": 0.05895378260972131,
"volume": 67.84975998029364,
"volume_molar": 10.215020128338578,
"formula_full": "Hg1 Pt3",
"formula_reduced": "HgPt3",
"formula_anonymous": "AB3",
"energy": -18.22774465,
"energy_per_atom": -4.5569361625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.22774465,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.005158,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:48.693000Z",
"spacegroup": 123
},
{
"id": "mp-1219491",
"created_at": "2022-09-04T14:39:30.452610Z",
"structure_string": "Re1 W3\n1.0\n1.578770 -2.245371 0.000000\n1.578770 2.245371 0.000000\n0.000000 0.000000 8.979683\nRe W\n1 3\ndirect\n0.000000 0.000000 0.000000 Re\n0.500000 0.500000 0.750720 W\n0.000000 0.000000 0.500000 W\n0.500000 0.500000 0.249280 W\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Re",
"W"
],
"chemical_system": "Re-W",
"density": 19.24184891226041,
"density_atomic": 0.06282927027061758,
"volume": 63.664594269060295,
"volume_molar": 9.584928702914262,
"formula_full": "Re1 W3",
"formula_reduced": "ReW3",
"formula_anonymous": "AB3",
"energy": -51.03757341,
"energy_per_atom": -12.7593933525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -51.03757341,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0072215,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:38.508000Z",
"spacegroup": 65
}
]
}