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=-formation_energy&page=10165",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formation_energy&page=10163",
"results": [
{
"id": "mp-1186033",
"created_at": "2022-09-04T14:41:49.118763Z",
"structure_string": "Na6 Ag2\n1.0\n3.433010 -5.946147 0.000000\n3.433010 5.946147 0.000000\n0.000000 0.000000 5.461941\nNa Ag\n6 2\ndirect\n0.174105 0.348209 0.250000 Na\n0.651791 0.825895 0.250000 Na\n0.174105 0.825895 0.250000 Na\n0.825895 0.651791 0.750000 Na\n0.348209 0.174105 0.750000 Na\n0.825895 0.174105 0.750000 Na\n0.333333 0.666667 0.750000 Ag\n0.666667 0.333333 0.250000 Ag\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Na",
"Ag"
],
"chemical_system": "Ag-Na",
"density": 2.6336967548406913,
"density_atomic": 0.03587585637462669,
"volume": 222.99119264113304,
"volume_molar": 16.786054379064744,
"formula_full": "Na6 Ag2",
"formula_reduced": "Na3Ag",
"formula_anonymous": "AB3",
"energy": -13.51930701,
"energy_per_atom": -1.68991337625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.51930701,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0158178,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:27.726000Z",
"spacegroup": 194
},
{
"id": "mp-1518138",
"created_at": "2022-09-04T14:41:49.120438Z",
"structure_string": "Sr1 Pr1 Dy1 Fe1 O6\n1.0\n-0.000000 -4.093135 -4.093135\n4.093135 0.000000 -4.093135\n4.093135 -4.093135 -0.000000\nSr Pr Dy Fe O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Pr\n-0.000000 0.000000 -0.000000 Dy\n0.500000 0.500000 0.500000 Fe\n0.736001 0.263999 0.263999 O\n0.263999 0.736001 0.736001 O\n0.736001 0.263999 0.736001 O\n0.263999 0.736001 0.263999 O\n0.736001 0.736001 0.263999 O\n0.263999 0.263999 0.736001 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Sr",
"Pr",
"Dy",
"Fe",
"O"
],
"chemical_system": "Dy-Fe-O-Pr-Sr",
"density": 6.572732806609978,
"density_atomic": 0.07291246784644256,
"volume": 137.1507548072645,
"volume_molar": 8.259411507895935,
"formula_full": "Sr1 Pr1 Dy1 Fe1 O6",
"formula_reduced": "SrPrDyFeO6",
"formula_anonymous": "ABCDE6",
"energy": -77.76163054,
"energy_per_atom": -7.7761630539999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -71.38363054,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0000004,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:26.478000Z",
"spacegroup": 216
},
{
"id": "mp-774866",
"created_at": "2022-09-04T14:41:49.121016Z",
"structure_string": "Li6 Fe4 F18\n1.0\n2.598259 -4.500317 0.000000\n2.598259 4.500317 0.000000\n0.000000 0.000000 14.827060\nLi Fe F\n6 4 18\ndirect\n0.333333 0.666667 0.479204 Li\n0.333333 0.666667 0.250000 Li\n0.333333 0.666667 0.020796 Li\n0.666667 0.333333 0.979204 Li\n0.666667 0.333333 0.520796 Li\n0.666667 0.333333 0.750000 Li\n0.000000 0.000000 0.149967 Fe\n0.000000 0.000000 0.350033 Fe\n0.000000 0.000000 0.649967 Fe\n0.000000 0.000000 0.850033 Fe\n0.987604 0.716944 0.750000 F\n0.308212 0.977196 0.088617 F\n0.308212 0.977196 0.411383 F\n0.022804 0.331017 0.088617 F\n0.022804 0.331017 0.411383 F\n0.283056 0.270660 0.750000 F\n0.270660 0.283056 0.250000 F\n0.331017 0.022804 0.588617 F\n0.331017 0.022804 0.911383 F\n0.668983 0.691788 0.411383 F\n0.668983 0.691788 0.088617 F\n0.729340 0.012396 0.750000 F\n0.691788 0.668983 0.588617 F\n0.691788 0.668983 0.911383 F\n0.012396 0.729340 0.250000 F\n0.977196 0.308212 0.911383 F\n0.977196 0.308212 0.588617 F\n0.716944 0.987604 0.250000 F\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Li",
"Fe",
"F"
],
"chemical_system": "F-Fe-Li",
"density": 2.9068675186277497,
"density_atomic": 0.08075091350612681,
"volume": 346.7453033565441,
"volume_molar": 7.457675088150033,
"formula_full": "Li6 Fe4 F18",
"formula_reduced": "Li3Fe2F9",
"formula_anonymous": "A2B3C9",
"energy": -158.45056349,
"energy_per_atom": -5.658948696071429,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -141.11056349,
"band_gap": 3.7009,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 20.0000196,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:29.064000Z",
"spacegroup": 190
},
{
"id": "mp-849078",
"created_at": "2022-09-04T14:41:49.122411Z",
"structure_string": "Ni2 S1\n1.0\n-1.431868 1.431868 4.208241\n1.431868 -1.431868 4.208241\n1.431868 1.431868 -4.208241\nNi S\n2 1\ndirect\n0.151444 0.151444 0.000000 Ni\n0.848556 0.848556 0.000000 Ni\n0.500000 0.500000 0.000000 S\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ni",
"S"
],
"chemical_system": "Ni-S",
"density": 7.1909072327492565,
"density_atomic": 0.08692700033592758,
"volume": 34.51171659445929,
"volume_molar": 6.927813840035389,
"formula_full": "Ni2 S1",
"formula_reduced": "Ni2S",
"formula_anonymous": "AB2",
"energy": -15.99471755,
"energy_per_atom": -5.331572516666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.49171755,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0139678,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:29.545000Z",
"spacegroup": 139
},
{
"id": "mp-780862",
"created_at": "2022-09-04T14:41:49.128502Z",
"structure_string": "Mn10 O5 F15\n1.0\n4.794383 0.000000 0.000000\n0.065351 5.738718 0.000000\n0.215419 2.618290 13.574335\nMn O F\n10 5 15\ndirect\n0.502984 0.498793 0.999299 Mn\n0.485972 0.695686 0.401752 Mn\n0.541843 0.288835 0.590809 Mn\n0.466217 0.098900 0.214229 Mn\n0.520477 0.907767 0.790622 Mn\n0.965742 0.601388 0.185895 Mn\n0.997946 0.200175 0.400382 Mn\n0.038278 0.398330 0.811881 Mn\n0.985441 0.804514 0.603456 Mn\n0.999905 0.001380 0.000038 Mn\n0.799494 0.700685 0.049266 O\n0.698083 0.391604 0.456016 O\n0.708655 0.977648 0.656868 O\n0.286436 0.005397 0.350824 O\n0.204873 0.298913 0.948937 O\n0.811600 0.078747 0.863889 F\n0.811320 0.271791 0.262045 F\n0.815102 0.486185 0.668503 F\n0.796698 0.882448 0.464433 F\n0.701125 0.182964 0.069667 F\n0.686304 0.774651 0.265073 F\n0.688288 0.572573 0.860172 F\n0.314904 0.430880 0.138192 F\n0.300857 0.818268 0.930190 F\n0.321290 0.232995 0.728092 F\n0.292742 0.615705 0.545207 F\n0.180876 0.115997 0.539644 F\n0.191072 0.514762 0.331255 F\n0.190974 0.922867 0.134784 F\n0.194503 0.729154 0.738579 F\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.065341715204306,
"density_atomic": 0.08032580432558473,
"volume": 373.4789866329996,
"volume_molar": 7.497143428020273,
"formula_full": "Mn10 O5 F15",
"formula_reduced": "Mn2OF3",
"formula_anonymous": "AB2C3",
"energy": -223.21938616,
"energy_per_atom": -7.4406462053333335,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -196.17438616,
"band_gap": 0.2631000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 45.0025993,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:38.560000Z",
"spacegroup": 1
},
{
"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-1034607",
"created_at": "2022-09-04T14:41:49.111323Z",
"structure_string": "Na1 Mg14 W1 O16\n1.0\n8.614657 0.000000 0.000000\n0.000000 8.614657 0.000000\n0.000000 0.000000 4.311990\nNa Mg W O\n1 14 1 16\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 Mg\n0.000000 0.244687 0.500000 Mg\n0.000000 0.755313 0.500000 Mg\n0.500000 0.239483 0.500000 Mg\n0.500000 0.760517 0.500000 Mg\n0.244687 0.000000 0.500000 Mg\n0.239483 0.500000 0.500000 Mg\n0.755313 0.000000 0.500000 Mg\n0.760517 0.500000 0.500000 Mg\n0.242165 0.242165 0.000000 Mg\n0.242165 0.757835 0.000000 Mg\n0.757835 0.242165 0.000000 Mg\n0.757835 0.757835 0.000000 Mg\n0.500000 0.500000 0.000000 W\n0.264975 0.000000 0.000000 O\n0.248682 0.500000 0.000000 O\n0.735025 0.000000 0.000000 O\n0.751318 0.500000 0.000000 O\n0.252344 0.252344 0.500000 O\n0.252344 0.747656 0.500000 O\n0.747656 0.252344 0.500000 O\n0.747656 0.747656 0.500000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.264975 0.000000 O\n0.000000 0.735025 0.000000 O\n0.500000 0.248682 0.000000 O\n0.500000 0.751318 0.000000 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Na",
"Mg",
"W",
"O"
],
"chemical_system": "Mg-Na-O-W",
"density": 4.167347167091456,
"density_atomic": 0.09999913715167322,
"volume": 320.00276113847013,
"volume_molar": 6.022192722389141,
"formula_full": "Na1 Mg14 W1 O16",
"formula_reduced": "NaMg14WO16",
"formula_anonymous": "ABC14D16",
"energy": -206.58427711,
"energy_per_atom": -6.4557586596875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -191.15427711,
"band_gap": 5.107800000000001,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 2.9999999,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:25.685000Z",
"spacegroup": 123
},
{
"id": "mp-1048132",
"created_at": "2022-09-04T14:41:51.880466Z",
"structure_string": "Ca4 Co4 O8\n1.0\n3.245383 0.000000 0.000000\n-0.231499 8.072999 0.000000\n-0.237925 -1.144532 8.238267\nCa Co O\n4 4 8\ndirect\n0.278440 0.725960 0.938590 Ca\n0.685472 0.243688 0.080956 Ca\n0.709366 0.933354 0.315252 Ca\n0.265599 0.036261 0.704786 Ca\n0.939141 0.381452 0.729083 Co\n0.684584 0.703246 0.596062 Co\n0.295882 0.266522 0.422954 Co\n0.069159 0.588152 0.286535 Co\n0.552836 0.444574 0.312410 O\n0.798456 0.179974 0.546482 O\n0.182834 0.788808 0.472282 O\n0.452084 0.525243 0.712356 O\n0.172550 0.262028 0.894894 O\n0.763766 0.871582 0.797674 O\n0.790058 0.705102 0.126194 O\n0.208468 0.097995 0.221928 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ca",
"Co",
"O"
],
"chemical_system": "Ca-Co-O",
"density": 4.031594091501939,
"density_atomic": 0.07412816744126809,
"volume": 215.8423788457584,
"volume_molar": 8.12395742114002,
"formula_full": "Ca4 Co4 O8",
"formula_reduced": "CaCoO2",
"formula_anonymous": "ABC2",
"energy": -110.94769686,
"energy_per_atom": -6.93423105375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -98.89969686,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.0000865,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:27.440000Z",
"spacegroup": 1
},
{
"id": "mp-170",
"created_at": "2022-09-04T14:41:51.921371Z",
"structure_string": "Ho1 Cd1\n1.0\n3.735261 0.000000 0.000000\n0.000000 3.735261 0.000000\n0.000000 0.000000 3.735261\nHo Cd\n1 1\ndirect\n0.500000 0.500000 0.500000 Ho\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ho",
"Cd"
],
"chemical_system": "Cd-Ho",
"density": 8.836917806236025,
"density_atomic": 0.038376656555968267,
"volume": 52.115014164488585,
"volume_molar": 15.692197550397205,
"formula_full": "Ho1 Cd1",
"formula_reduced": "HoCd",
"formula_anonymous": "AB",
"energy": -6.14173149,
"energy_per_atom": -3.070865745,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.14173149,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0068638,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:31.322000Z",
"spacegroup": 221
},
{
"id": "mp-1174514",
"created_at": "2022-09-04T14:41:51.970124Z",
"structure_string": "Li7 Mn2 Co3 O12\n1.0\n-5.884218 0.000000 0.000000\n-0.022860 -5.922935 0.000000\n1.465048 1.582586 6.166773\nLi Mn Co O\n7 2 3 12\ndirect\n0.163356 0.163934 0.173723 Li\n0.325665 0.834000 0.824728 Li\n0.500000 0.500000 0.500000 Li\n0.836644 0.836066 0.826277 Li\n0.000000 0.500000 0.500000 Li\n0.674335 0.166000 0.175272 Li\n0.000000 0.000000 0.500000 Li\n0.332357 0.328705 0.832293 Mn\n0.667643 0.671295 0.167707 Mn\n0.500000 0.000000 0.500000 Co\n0.837464 0.322881 0.820372 Co\n0.162536 0.677119 0.179628 Co\n0.099919 0.565069 0.844494 O\n0.266384 0.245798 0.520205 O\n0.428198 0.901071 0.170975 O\n0.745719 0.252253 0.519124 O\n0.900571 0.892093 0.157519 O\n0.575539 0.569236 0.850145 O\n0.254281 0.747747 0.480876 O\n0.424461 0.430764 0.149855 O\n0.571802 0.098929 0.829025 O\n0.900081 0.434931 0.155506 O\n0.099429 0.107907 0.842481 O\n0.733616 0.754202 0.479795 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.073676263819084,
"density_atomic": 0.11166769678718155,
"volume": 214.92339047468366,
"volume_molar": 5.392912125229117,
"formula_full": "Li7 Mn2 Co3 O12",
"formula_reduced": "Li7Mn2(CoO4)3",
"formula_anonymous": "A2B3C7D12",
"energy": -157.6590536,
"energy_per_atom": -6.569127233333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -141.1650536,
"band_gap": 0.8433999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 18.0002064,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:27.647000Z",
"spacegroup": 2
},
{
"id": "mp-1246380",
"created_at": "2022-09-04T14:41:51.985258Z",
"structure_string": "Li12 Ni4 N8\n1.0\n7.338253 -0.106492 0.143402\n-3.380283 6.286765 -0.000000\n-7.915942 -4.256263 5.731503\nLi Ni N\n12 4 8\ndirect\n1.000000 0.500000 0.367542 Li\n0.000000 0.000000 0.882458 Li\n0.000000 0.500000 0.132458 Li\n1.000000 1.000000 0.117542 Li\n0.548288 0.500000 0.524145 Li\n0.451712 0.500000 0.975855 Li\n0.548288 -0.000000 0.274145 Li\n0.451712 0.000000 0.725855 Li\n0.451712 0.951712 0.975855 Li\n0.548288 0.048288 0.524145 Li\n0.451712 0.451712 0.725855 Li\n0.548288 0.548288 0.274145 Li\n0.000000 0.500000 0.604724 Ni\n1.000000 1.000000 0.645276 Ni\n1.000000 0.500000 0.895276 Ni\n0.000000 0.000000 0.354724 Ni\n0.473572 0.736785 0.835207 N\n0.526428 0.263215 0.361635 N\n0.473572 0.236785 0.888365 N\n0.526428 0.763215 0.414793 N\n1.000000 0.263215 0.901580 N\n0.000000 0.736785 0.901580 N\n1.000000 0.763215 0.348420 N\n0.000000 0.236785 0.348420 N\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Li",
"Ni",
"N"
],
"chemical_system": "Li-N-Ni",
"density": 2.6301678174918792,
"density_atomic": 0.08838056515402311,
"volume": 271.5529139033517,
"volume_molar": 6.813874463808936,
"formula_full": "Li12 Ni4 N8",
"formula_reduced": "Li3NiN2",
"formula_anonymous": "AB2C3",
"energy": -118.06212681,
"energy_per_atom": -4.91925528375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -115.17412681000002,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010226,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:29.876000Z",
"spacegroup": 141
},
{
"id": "mp-530781",
"created_at": "2022-09-04T14:41:51.992765Z",
"structure_string": "Na2 W17 O51\n1.0\n29.246849 -0.005983 58.498905\n6.881381 3.846207 13.764170\n-0.000386 -0.000622 8.602973\nNa W O\n2 17 51\ndirect\n0.470508 0.000261 0.000169 Na\n0.941257 0.999724 0.999855 Na\n0.029927 0.497569 0.502519 W\n0.089417 0.497510 0.494779 W\n0.148044 0.498279 0.497583 W\n0.205887 0.499988 0.499987 W\n0.263714 0.501743 0.502449 W\n0.322347 0.502509 0.505216 W\n0.381840 0.502429 0.497502 W\n0.440076 0.505080 0.499970 W\n0.500572 0.495604 0.502482 W\n0.558961 0.497762 0.504383 W\n0.618529 0.497079 0.497084 W\n0.676819 0.499861 0.498545 W\n0.734948 0.500145 0.501445 W\n0.793236 0.502925 0.502899 W\n0.852799 0.502252 0.495624 W\n0.911189 0.504413 0.497516 W\n0.971691 0.494913 0.500041 W\n0.028710 0.999557 0.504497 O\n0.028478 0.504768 0.000516 O\n0.088243 0.999686 0.500400 O\n0.999434 0.504496 0.495630 O\n0.086888 0.504539 0.000042 O\n0.147034 0.999876 0.500396 O\n0.058922 0.499540 0.500011 O\n0.205882 0.000003 0.499998 O\n0.147105 0.499816 0.999816 O\n0.116003 0.504489 0.504760 O\n0.264729 0.000124 0.499590 O\n0.205882 0.500001 0.999999 O\n0.176588 0.499690 0.499787 O\n0.323523 0.000306 0.499617 O\n0.264659 0.500173 0.000189 O\n0.235180 0.500294 0.500209 O\n0.324879 0.495461 0.999950 O\n0.383060 0.000433 0.495502 O\n0.295756 0.495535 0.495244 O\n0.441495 0.999962 0.495267 O\n0.383289 0.495224 0.999470 O\n0.352847 0.500439 0.499978 O\n0.499685 0.000301 0.504435 O\n0.441133 0.500219 0.999836 O\n0.412323 0.495536 0.504360 O\n0.500088 0.499989 0.999503 O\n0.558165 0.999599 0.504075 O\n0.470622 0.500057 0.499639 O\n0.617468 0.000458 0.500506 O\n0.557929 0.504995 0.999873 O\n0.528954 0.504482 0.495070 O\n0.616411 0.504343 0.999621 O\n0.676512 0.999737 0.500271 O\n0.588361 0.499578 0.499814 O\n0.735256 0.000254 0.499724 O\n0.676343 0.500385 0.000130 O\n0.645537 0.504168 0.504570 O\n0.735422 0.499618 0.999858 O\n0.794298 0.999542 0.499505 O\n0.705879 0.500017 0.499992 O\n0.795353 0.495664 0.000374 O\n0.853596 0.000407 0.495907 O\n0.766235 0.495802 0.495414 O\n0.912078 0.999707 0.495571 O\n0.853835 0.494997 0.000136 O\n0.823401 0.500428 0.500199 O\n0.970271 0.000035 0.504745 O\n0.911676 0.500012 0.000506 O\n0.882812 0.495507 0.504945 O\n0.970631 0.499778 0.000156 O\n0.941147 0.499929 0.500344 O\n",
"nsites": 70,
"nelements": 3,
"elements": [
"Na",
"W",
"O"
],
"chemical_system": "Na-O-W",
"density": 6.8385192669267605,
"density_atomic": 0.07230025760988024,
"volume": 968.184655408947,
"volume_molar": 8.329348966492534,
"formula_full": "Na2 W17 O51",
"formula_reduced": "Na2(WO3)17",
"formula_anonymous": "A2B17C51",
"energy": -628.7537404300001,
"energy_per_atom": -8.982196291857145,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -518.27074043,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.2137618,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:30.517000Z",
"spacegroup": 2
}
]
}