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=-formula_full&page=12125",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_full&page=12123",
"results": [
{
"id": "mp-775762",
"created_at": "2022-09-04T14:46:24.403196Z",
"structure_string": "Ag4 P4 O12\n1.0\n4.050258 0.000000 0.000000\n0.000000 5.872686 0.000000\n0.000000 4.391681 11.129573\nAg P O\n4 4 12\ndirect\n0.859633 0.318131 0.909525 Ag\n0.359633 0.681869 0.590475 Ag\n0.640367 0.318131 0.409525 Ag\n0.140367 0.681869 0.090475 Ag\n0.511785 0.845309 0.828956 P\n0.011785 0.154691 0.671044 P\n0.988215 0.845309 0.328956 P\n0.488215 0.154691 0.171044 P\n0.680781 0.853912 0.939080 O\n0.350508 0.613148 0.829735 O\n0.257161 0.074915 0.787067 O\n0.757161 0.925085 0.712933 O\n0.850508 0.386852 0.670265 O\n0.180781 0.146088 0.560920 O\n0.819219 0.853912 0.439080 O\n0.149492 0.613148 0.329735 O\n0.242839 0.074915 0.287067 O\n0.742839 0.925085 0.212933 O\n0.649492 0.386852 0.170265 O\n0.319219 0.146088 0.060920 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ag",
"P",
"O"
],
"chemical_system": "Ag-O-P",
"density": 4.6879325281271225,
"density_atomic": 0.07554957474164564,
"volume": 264.7268375552521,
"volume_molar": 7.971111393536911,
"formula_full": "Ag4 P4 O12",
"formula_reduced": "AgPO3",
"formula_anonymous": "ABC3",
"energy": -130.66124345999998,
"energy_per_atom": -6.533062172999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -122.41724346,
"band_gap": 2.3488,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010486,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:33.777000Z",
"spacegroup": 14
},
{
"id": "mp-1247850",
"created_at": "2022-09-04T14:46:25.356660Z",
"structure_string": "Ag4 P4 H24 N8 F24\n1.0\n7.423434 0.068536 0.148008\n0.039790 8.582185 -0.016941\n0.078371 0.037376 13.286155\nAg P H N F\n4 4 24 8 24\ndirect\n0.932507 0.999509 0.001518 Ag\n0.549229 0.500570 0.500801 Ag\n0.536938 0.000921 0.001393 Ag\n0.946075 0.497251 0.499765 Ag\n0.500577 0.411865 0.173309 P\n0.498717 0.589095 0.827998 P\n0.003227 0.089270 0.672610 P\n0.997870 0.911575 0.324507 P\n0.420631 0.213764 0.545336 H\n0.418748 0.980148 0.195462 H\n0.522045 0.205136 0.433152 H\n0.501427 0.799430 0.560748 H\n0.491624 0.994743 0.800979 H\n0.487664 0.180466 0.835622 H\n0.490478 0.793856 0.436709 H\n0.497250 0.806674 0.160270 H\n0.637045 0.943214 0.193704 H\n0.642940 0.199838 0.535536 H\n0.680125 0.086969 0.818825 H\n0.688400 0.792905 0.490386 H\n0.812653 0.701474 0.994225 H\n0.809262 0.298894 0.008583 H\n0.822555 0.412019 0.316374 H\n0.823348 0.590431 0.685392 H\n0.997121 0.293318 0.938938 H\n0.011963 0.708807 0.936289 H\n0.013367 0.318935 0.334572 H\n0.011940 0.490923 0.697985 H\n0.013272 0.504695 0.299952 H\n0.015982 0.676196 0.662388 H\n0.006346 0.290762 0.063160 H\n0.997634 0.704041 0.060673 H\n0.938914 0.747734 0.997674 N\n0.531185 0.249203 0.504193 N\n0.559277 0.752442 0.496959 N\n0.550752 0.075073 0.845857 N\n0.520598 0.923763 0.156311 N\n0.936570 0.251323 0.003193 N\n0.948793 0.424160 0.344273 N\n0.949823 0.573200 0.654611 N\n0.159123 0.962816 0.638124 F\n0.154377 0.031698 0.357904 F\n0.158970 0.213675 0.703740 F\n0.153037 0.782453 0.290624 F\n0.347271 0.284951 0.207291 F\n0.341234 0.714586 0.795885 F\n0.343385 0.534629 0.140486 F\n0.345137 0.464643 0.862718 F\n0.494775 0.485016 0.288087 F\n0.511565 0.337336 0.060104 F\n0.500059 0.664040 0.940848 F\n0.501782 0.515880 0.713206 F\n0.657014 0.537470 0.140777 F\n0.659358 0.465866 0.858231 F\n0.660036 0.288177 0.208308 F\n0.653921 0.714845 0.790534 F\n0.845913 0.217096 0.708778 F\n0.840502 0.790748 0.289242 F\n0.840199 0.038994 0.357420 F\n0.844747 0.967463 0.642773 F\n0.001953 0.017829 0.787496 F\n0.001531 0.162999 0.559057 F\n0.988514 0.836297 0.437909 F\n0.004729 0.985899 0.210226 F\n",
"nsites": 64,
"nelements": 5,
"elements": [
"Ag",
"P",
"H",
"N",
"F"
],
"chemical_system": "Ag-F-H-N-P",
"density": 2.251618629597248,
"density_atomic": 0.07562147238228174,
"volume": 846.3204693564697,
"volume_molar": 7.963532803959261,
"formula_full": "Ag4 P4 H24 N8 F24",
"formula_reduced": "AgPH6(NF3)2",
"formula_anonymous": "ABC2D6E6",
"energy": -328.76474598,
"energy_per_atom": -5.1369491559375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -314.78874598,
"band_gap": 3.2454,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009091,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:34.692000Z",
"spacegroup": 1
},
{
"id": "mp-1229233",
"created_at": "2022-09-04T14:43:16.879944Z",
"structure_string": "Ag4 Os4 N8 O12\n1.0\n0.000000 6.195113 0.000000\n0.043638 0.000000 8.602767\n9.308724 3.097556 -1.168257\nAg Os N O\n4 4 8 12\ndirect\n0.997471 0.500000 0.000000 Ag\n0.298070 0.190236 0.380693 Ag\n0.678763 0.809764 0.619307 Ag\n0.503196 0.500000 0.000000 Ag\n0.313317 0.678911 0.389182 Os\n0.702498 0.321089 0.610818 Os\n0.103909 0.996888 0.775462 Os\n0.879371 0.003112 0.224538 Os\n0.112714 0.521992 0.779965 N\n0.892678 0.478008 0.220035 N\n0.504354 0.249137 0.992486 N\n0.496840 0.750863 0.007514 N\n0.806836 0.942367 0.390722 N\n0.197558 0.057633 0.609278 N\n0.489553 0.681490 0.492826 N\n0.982379 0.318510 0.507174 N\n0.036916 0.163442 0.904456 O\n0.941372 0.836558 0.095544 O\n0.392961 0.513854 0.254329 O\n0.647290 0.486146 0.745671 O\n0.349490 0.851315 0.307396 O\n0.656886 0.148685 0.692604 O\n0.644929 0.117267 0.217729 O\n0.120937 0.119424 0.206662 O\n0.327599 0.880576 0.793338 O\n0.862658 0.882733 0.782271 O\n0.029929 0.670257 0.499597 O\n0.529526 0.329743 0.500403 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Ag",
"Os",
"N",
"O"
],
"chemical_system": "Ag-N-O-Os",
"density": 5.005578053082231,
"density_atomic": 0.056403245629683095,
"volume": 496.42533310644376,
"volume_molar": 10.676940117131759,
"formula_full": "Ag4 Os4 N8 O12",
"formula_reduced": "AgOsN2O3",
"formula_anonymous": "ABC2D3",
"energy": -178.33089161,
"energy_per_atom": -6.368960414642857,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -170.08689161,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 11.999033,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:06.993000Z",
"spacegroup": 5
},
{
"id": "mp-1214946",
"created_at": "2022-09-04T14:39:32.421317Z",
"structure_string": "Ag4 O8\n1.0\n-2.672824 2.672824 6.028413\n2.672824 -2.672824 6.028413\n2.672824 2.672824 -6.028413\nAg O\n4 8\ndirect\n0.500000 0.500000 0.000000 Ag\n0.250000 0.750000 0.500000 Ag\n0.000000 0.000000 0.000000 Ag\n0.750000 0.250000 0.500000 Ag\n0.342205 0.342205 0.184409 O\n0.157795 0.157795 0.815591 O\n0.092205 0.407795 0.500000 O\n0.407795 0.907795 0.315591 O\n0.907795 0.592205 0.500000 O\n0.592205 0.092205 0.684409 O\n0.657795 0.842205 0.000000 O\n0.842205 0.657795 0.000000 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Ag",
"O"
],
"chemical_system": "Ag-O",
"density": 5.39287848915329,
"density_atomic": 0.06965904761197529,
"volume": 172.26764377894028,
"volume_molar": 8.64516666025264,
"formula_full": "Ag4 O8",
"formula_reduced": "AgO2",
"formula_anonymous": "AB2",
"energy": -51.03070053,
"energy_per_atom": -4.2525583775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -49.74270053,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.1788575,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:25.860000Z",
"spacegroup": 142
},
{
"id": "mp-11872",
"created_at": "2022-09-04T14:47:16.845529Z",
"structure_string": "Ag4 O6\n1.0\n5.106608 0.000000 0.000000\n0.000000 5.106608 0.000000\n0.000000 0.000000 5.106608\nAg O\n4 6\ndirect\n0.750000 0.250000 0.250000 Ag\n0.250000 0.250000 0.750000 Ag\n0.250000 0.750000 0.250000 Ag\n0.750000 0.750000 0.750000 Ag\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.000000 O\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Ag",
"O"
],
"chemical_system": "Ag-O",
"density": 6.577314962218024,
"density_atomic": 0.07509351548681747,
"volume": 133.16729061320189,
"volume_molar": 8.019521687005284,
"formula_full": "Ag4 O6",
"formula_reduced": "Ag2O3",
"formula_anonymous": "A2B3",
"energy": -42.90940957,
"energy_per_atom": -4.290940957,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.78740957,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.9851903,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:00.148000Z",
"spacegroup": 224
},
{
"id": "mp-546190",
"created_at": "2022-09-04T14:44:01.140639Z",
"structure_string": "Ag4 O6\n1.0\n0.000000 5.347520 6.571029\n1.891480 0.000000 6.571029\n1.891480 5.347520 0.000000\nAg O\n4 6\ndirect\n0.414567 0.179560 0.819352 Ag\n0.430648 0.663479 0.835433 Ag\n0.070440 0.835433 0.663479 Ag\n0.586521 0.819352 0.179560 Ag\n0.216663 0.947954 0.316739 O\n0.933261 0.731355 0.033337 O\n0.302046 0.033337 0.731355 O\n0.584627 0.415373 0.415373 O\n0.518645 0.316739 0.947954 O\n0.834627 0.665373 0.665373 O\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Ag",
"O"
],
"chemical_system": "Ag-O",
"density": 6.589138742144621,
"density_atomic": 0.07522850814052662,
"volume": 132.92833059137675,
"volume_molar": 8.00513117813085,
"formula_full": "Ag4 O6",
"formula_reduced": "Ag2O3",
"formula_anonymous": "A2B3",
"energy": -44.611763,
"energy_per_atom": -4.4611763,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.489763,
"band_gap": 0.347,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.6e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:22.628000Z",
"spacegroup": 43
},
{
"id": "mp-1079720",
"created_at": "2022-09-04T14:42:53.319193Z",
"structure_string": "Ag4 O4\n1.0\n3.639342 0.000000 0.000000\n0.000000 5.637373 0.000000\n0.000000 1.827867 5.569183\nAg O\n4 4\ndirect\n0.500000 0.500000 0.000000 Ag\n0.000000 0.000000 0.000000 Ag\n0.500000 0.000000 0.500000 Ag\n0.000000 0.500000 0.500000 Ag\n0.833554 0.283423 0.290376 O\n0.333554 0.216577 0.709624 O\n0.166446 0.716577 0.709624 O\n0.666446 0.783423 0.290376 O\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ag",
"O"
],
"chemical_system": "Ag-O",
"density": 7.2007159993612895,
"density_atomic": 0.07001625176547109,
"volume": 114.25918694986818,
"volume_molar": 8.601061336690766,
"formula_full": "Ag4 O4",
"formula_reduced": "AgO",
"formula_anonymous": "AB",
"energy": -34.36538392,
"energy_per_atom": -4.29567299,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.61738392,
"band_gap": 0.1159999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003972,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:02.644000Z",
"spacegroup": 14
},
{
"id": "mp-353",
"created_at": "2022-09-04T14:45:20.824857Z",
"structure_string": "Ag4 O2\n1.0\n4.840837 0.000000 0.000000\n0.000000 4.840837 0.000000\n0.000000 0.000000 4.840837\nAg O\n4 2\ndirect\n0.250000 0.250000 0.750000 Ag\n0.750000 0.250000 0.250000 Ag\n0.250000 0.750000 0.250000 Ag\n0.750000 0.750000 0.750000 Ag\n0.000000 0.000000 0.000000 O\n0.500000 0.500000 0.500000 O\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ag",
"O"
],
"chemical_system": "Ag-O",
"density": 6.784390642779099,
"density_atomic": 0.052891985747254115,
"volume": 113.43873585444823,
"volume_molar": 11.385733915865767,
"formula_full": "Ag4 O2",
"formula_reduced": "Ag2O",
"formula_anonymous": "AB2",
"energy": -23.16147587,
"energy_per_atom": -3.8602459783333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.78747587,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3e-07,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:03.294000Z",
"spacegroup": 224
},
{
"id": "mp-1204763",
"created_at": "2022-09-04T14:43:58.358155Z",
"structure_string": "Ag4 N8 Cl4 O16\n1.0\n7.400714 0.000000 0.000000\n0.000000 6.404937 0.000000\n-1.584833 0.000000 11.146243\nAg N Cl O\n4 8 4 16\ndirect\n0.500000 0.000000 0.500000 Ag\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Ag\n0.000000 0.500000 0.000000 Ag\n0.044961 0.000000 0.816685 N\n0.955039 0.000000 0.183315 N\n0.707210 0.500000 0.989363 N\n0.292790 0.500000 0.010637 N\n0.227351 0.000000 0.545467 N\n0.772649 0.000000 0.454533 N\n0.580635 0.500000 0.686879 N\n0.419365 0.500000 0.313121 N\n0.536044 0.000000 0.823744 Cl\n0.463956 0.000000 0.176256 Cl\n0.028934 0.500000 0.669701 Cl\n0.971066 0.500000 0.330299 Cl\n0.427947 0.187132 0.827128 O\n0.427947 0.812868 0.827128 O\n0.572053 0.812868 0.172872 O\n0.572053 0.187132 0.172872 O\n0.628200 0.000000 0.713397 O\n0.371800 0.000000 0.286603 O\n0.683733 0.000000 0.928282 O\n0.316267 0.000000 0.071718 O\n0.075690 0.500000 0.803830 O\n0.924310 0.500000 0.196170 O\n0.924605 0.312932 0.632601 O\n0.924605 0.687068 0.632601 O\n0.075395 0.687068 0.367399 O\n0.075395 0.312932 0.367399 O\n0.202505 0.500000 0.622856 O\n0.797495 0.500000 0.377144 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Ag",
"N",
"Cl",
"O"
],
"chemical_system": "Ag-Cl-N-O",
"density": 2.958512803743979,
"density_atomic": 0.06056657117237854,
"volume": 528.3442562552334,
"volume_molar": 9.943010877832894,
"formula_full": "Ag4 N8 Cl4 O16",
"formula_reduced": "AgN2ClO4",
"formula_anonymous": "ABC2D4",
"energy": -132.11623578,
"energy_per_atom": -4.128632368125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -121.12423578,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 24.0241393,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:21.654000Z",
"spacegroup": 10
},
{
"id": "mp-1196722",
"created_at": "2022-09-04T14:45:55.830447Z",
"structure_string": "Ag4 N8 Cl4 O16\n1.0\n0.000000 -7.000795 0.000000\n-7.448789 0.000000 0.000000\n0.000000 0.000000 -10.875857\nAg N Cl O\n4 8 4 16\ndirect\n0.000000 0.500000 0.500000 Ag\n0.500000 0.000000 0.000000 Ag\n0.000000 0.000000 0.000000 Ag\n0.500000 0.500000 0.500000 Ag\n0.000000 0.214632 0.457701 N\n0.000000 0.785368 0.542299 N\n0.500000 0.714632 0.042299 N\n0.500000 0.285368 0.957701 N\n0.000000 0.924673 0.811308 N\n0.000000 0.075327 0.188692 N\n0.500000 0.424673 0.688692 N\n0.500000 0.575327 0.311308 N\n0.000000 0.451324 0.819756 Cl\n0.000000 0.548676 0.180244 Cl\n0.500000 0.951324 0.680244 Cl\n0.500000 0.048676 0.319756 Cl\n0.828890 0.557005 0.837378 O\n0.828890 0.442995 0.162622 O\n0.671110 0.057005 0.662622 O\n0.671110 0.942995 0.337378 O\n0.171110 0.442995 0.162622 O\n0.171110 0.557005 0.837378 O\n0.328890 0.942995 0.337378 O\n0.328890 0.057005 0.662622 O\n0.000000 0.372948 0.692130 O\n0.000000 0.627052 0.307870 O\n0.500000 0.872948 0.807870 O\n0.500000 0.127052 0.192130 O\n0.000000 0.297187 0.904518 O\n0.000000 0.702813 0.095482 O\n0.500000 0.797187 0.595482 O\n0.500000 0.202813 0.404518 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Ag",
"N",
"Cl",
"O"
],
"chemical_system": "Ag-Cl-N-O",
"density": 2.756093342174519,
"density_atomic": 0.056422646998615794,
"volume": 567.1481524215808,
"volume_molar": 10.673268767677172,
"formula_full": "Ag4 N8 Cl4 O16",
"formula_reduced": "AgN2ClO4",
"formula_anonymous": "ABC2D4",
"energy": -132.60533483999998,
"energy_per_atom": -4.1439167137499995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -121.61333484,
"band_gap": 0.4153000000000001,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 23.993376,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:13.624000Z",
"spacegroup": 58
},
{
"id": "mp-1091417",
"created_at": "2022-09-04T14:42:51.663300Z",
"structure_string": "Ag4 N4\n1.0\n2.843252 -2.950325 0.000000\n2.843252 2.950325 0.000000\n0.000000 0.000000 7.138863\nAg N\n4 4\ndirect\n0.336578 0.663422 0.341579 Ag\n0.663422 0.336578 0.658421 Ag\n0.163422 0.836578 0.841579 Ag\n0.836578 0.163422 0.158421 Ag\n0.839248 0.660752 0.250000 N\n0.660752 0.839248 0.750000 N\n0.160752 0.339248 0.750000 N\n0.339248 0.160752 0.250000 N\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ag",
"N"
],
"chemical_system": "Ag-N",
"density": 6.758948000262353,
"density_atomic": 0.06679527328624124,
"volume": 119.76895379583502,
"volume_molar": 9.015818730455686,
"formula_full": "Ag4 N4",
"formula_reduced": "AgN",
"formula_anonymous": "AB",
"energy": -32.5151656,
"energy_per_atom": -4.0643957,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.0711656,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006899,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:53.173000Z",
"spacegroup": 64
},
{
"id": "mp-732005",
"created_at": "2022-09-04T14:44:02.734971Z",
"structure_string": "Ag4 N12 O24\n1.0\n5.169311 0.000000 0.000000\n0.000000 8.598981 0.000000\n0.000000 3.573758 14.297721\nAg N O\n4 12 24\ndirect\n0.083934 0.782811 0.749296 Ag\n0.583934 0.217189 0.750704 Ag\n0.916066 0.217189 0.250704 Ag\n0.416066 0.782811 0.249296 Ag\n0.525262 0.734619 0.547409 N\n0.025262 0.265381 0.952591 N\n0.474738 0.265381 0.452591 N\n0.974738 0.734619 0.047409 N\n0.010935 0.048370 0.610241 N\n0.510935 0.951630 0.889759 N\n0.989065 0.951630 0.389759 N\n0.489065 0.048370 0.110241 N\n0.121050 0.419976 0.672837 N\n0.621050 0.580024 0.827163 N\n0.878950 0.580024 0.327163 N\n0.378950 0.419976 0.172837 N\n0.820416 0.983827 0.662261 O\n0.320416 0.016173 0.837739 O\n0.179584 0.016173 0.337739 O\n0.679584 0.983827 0.162261 O\n0.232521 0.981609 0.633097 O\n0.732521 0.018391 0.866903 O\n0.767479 0.018391 0.366903 O\n0.267479 0.981609 0.133097 O\n0.983476 0.164843 0.544113 O\n0.483476 0.835157 0.955887 O\n0.016524 0.835157 0.455887 O\n0.516524 0.164843 0.044113 O\n0.366099 0.409179 0.657347 O\n0.866099 0.590821 0.842653 O\n0.633901 0.590821 0.342653 O\n0.133901 0.409179 0.157347 O\n0.009823 0.294265 0.721210 O\n0.509823 0.705735 0.778790 O\n0.990177 0.705735 0.278790 O\n0.490177 0.294265 0.221210 O\n0.007859 0.547896 0.641604 O\n0.507859 0.452104 0.858396 O\n0.992141 0.452104 0.358396 O\n0.492141 0.547896 0.141604 O\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Ag",
"N",
"O"
],
"chemical_system": "Ag-N-O",
"density": 2.569769237388186,
"density_atomic": 0.06293808469423888,
"volume": 635.5452377415841,
"volume_molar": 9.56835720256871,
"formula_full": "Ag4 N12 O24",
"formula_reduced": "Ag(NO2)3",
"formula_anonymous": "AB3C6",
"energy": -234.00499357,
"energy_per_atom": -5.85012483925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -217.51699357,
"band_gap": 0.1241000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 15.934034,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:24.639000Z",
"spacegroup": 14
}
]
}