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=-is_magnetic&page=75",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-is_magnetic&page=73",
"results": [
{
"id": "mp-35759",
"created_at": "2022-09-04T14:40:06.842237Z",
"structure_string": "Li4 Ni2 F8\n1.0\n-2.941026 3.006335 4.169692\n2.941026 -3.006335 4.169692\n2.941026 3.006335 -4.169692\nLi Ni F\n4 2 8\ndirect\n0.116322 0.866322 0.250000 Li\n0.500000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.883678 0.133678 0.750000 Li\n0.000000 0.500000 0.500000 Ni\n0.500000 0.500000 0.000000 Ni\n0.253812 0.737516 0.983704 F\n0.253812 0.270108 0.516296 F\n0.723650 0.738622 0.985028 F\n0.253595 0.738622 0.514972 F\n0.746405 0.261378 0.485028 F\n0.746188 0.729892 0.483704 F\n0.276350 0.261378 0.014972 F\n0.746188 0.262484 0.016296 F\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Li",
"Ni",
"F"
],
"chemical_system": "F-Li-Ni",
"density": 3.345855078696675,
"density_atomic": 0.09493532272703353,
"volume": 147.46881980118235,
"volume_molar": 6.343414218241395,
"formula_full": "Li4 Ni2 F8",
"formula_reduced": "Li2NiF4",
"formula_anonymous": "AB2C4",
"energy": -73.83974861,
"energy_per_atom": -5.274267757857143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -65.06174861,
"band_gap": 4.6955,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0000261,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:53.820000Z",
"spacegroup": 74
},
{
"id": "mp-1442954",
"created_at": "2022-09-04T14:40:08.702960Z",
"structure_string": "Cr4 S8\n1.0\n5.604801 -3.415233 0.000000\n5.604801 3.415233 0.000000\n3.523761 0.000000 5.537212\nCr S\n4 8\ndirect\n0.500000 0.000000 0.500000 Cr\n0.000000 0.500000 0.500000 Cr\n0.500000 0.500000 0.500000 Cr\n0.500000 0.500000 0.000000 Cr\n0.743236 0.254029 0.254029 S\n0.254029 0.743236 0.254029 S\n0.254029 0.254029 0.743236 S\n0.250777 0.250777 0.250777 S\n0.745971 0.256764 0.745971 S\n0.256764 0.745971 0.745971 S\n0.749223 0.749223 0.749223 S\n0.745971 0.745971 0.256764 S\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Cr",
"S"
],
"chemical_system": "Cr-S",
"density": 3.6386245625218163,
"density_atomic": 0.05660822837210298,
"volume": 211.98331665001731,
"volume_molar": 10.6382780969838,
"formula_full": "Cr4 S8",
"formula_reduced": "CrS2",
"formula_anonymous": "AB2",
"energy": -81.78809964,
"energy_per_atom": -6.81567497,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -77.76409964,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.0498836,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:46.576000Z",
"spacegroup": 166
},
{
"id": "mp-1199505",
"created_at": "2022-09-04T14:40:06.903935Z",
"structure_string": "U4 Ga20 Pt11\n1.0\n0.000000 -4.186024 0.000000\n8.763997 -2.093012 -6.249897\n8.945736 -2.093012 10.297662\nU Ga Pt\n4 20 11\ndirect\n0.121348 0.091415 0.665889 U\n0.878652 0.908585 0.334111 U\n0.774732 0.630859 0.819676 U\n0.225268 0.369141 0.180324 U\n0.007017 0.072101 0.913866 Ga\n0.992983 0.927899 0.086134 Ga\n0.065287 0.670845 0.198581 Ga\n0.934713 0.329155 0.801419 Ga\n0.102061 0.342217 0.453660 Ga\n0.897939 0.657783 0.546340 Ga\n0.200637 0.606508 0.992218 Ga\n0.799363 0.393492 0.007782 Ga\n0.255619 0.783374 0.705388 Ga\n0.744381 0.216626 0.294612 Ga\n0.301200 0.900540 0.497060 Ga\n0.698800 0.099460 0.502940 Ga\n0.387690 0.526618 0.698002 Ga\n0.612310 0.473382 0.301998 Ga\n0.397660 0.206820 0.997860 Ga\n0.602340 0.793180 0.002140 Ga\n0.543960 0.286495 0.625585 Ga\n0.456040 0.713505 0.374415 Ga\n0.634362 0.934419 0.796858 Ga\n0.365638 0.065581 0.203142 Ga\n0.500000 0.500000 0.500000 Pt\n0.027587 0.573706 0.371120 Pt\n0.972413 0.426294 0.628880 Pt\n0.135855 0.834799 0.893491 Pt\n0.864145 0.165201 0.106509 Pt\n0.241438 0.128052 0.389071 Pt\n0.758562 0.871948 0.610929 Pt\n0.344768 0.420155 0.890309 Pt\n0.655232 0.579845 0.109691 Pt\n0.506341 0.172735 0.814584 Pt\n0.493659 0.827265 0.185416 Pt\n",
"nsites": 35,
"nelements": 3,
"elements": [
"U",
"Ga",
"Pt"
],
"chemical_system": "Ga-Pt-U",
"density": 12.193013028964241,
"density_atomic": 0.05720604636711584,
"volume": 611.8234386517454,
"volume_molar": 10.52710533665153,
"formula_full": "U4 Ga20 Pt11",
"formula_reduced": "U4Ga20Pt11",
"formula_anonymous": "A4B11C20",
"energy": -193.03210444,
"energy_per_atom": -5.515202984,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -193.03210444,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.0312432,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:46.766000Z",
"spacegroup": 12
},
{
"id": "mp-1016111",
"created_at": "2022-09-04T14:40:08.540479Z",
"structure_string": "Mn8 H8 O16\n1.0\n3.397443 -5.037761 -0.003307\n-0.002138 0.002084 6.101867\n-7.469560 -5.023485 0.003676\nMn H O\n8 8 16\ndirect\n0.218469 0.749886 0.750660 Mn\n0.780647 0.249933 0.249263 Mn\n0.718346 0.749424 0.749593 Mn\n0.280654 0.248374 0.250702 Mn\n0.999409 0.528543 0.500453 Mn\n0.499103 0.970672 0.999315 Mn\n0.000541 0.028554 0.499763 Mn\n0.498857 0.470495 0.000535 Mn\n0.044065 0.669763 0.239189 H\n0.454466 0.330361 0.738384 H\n0.573763 0.784247 0.489591 H\n0.923919 0.227269 0.987556 H\n0.970131 0.169826 0.762630 H\n0.542710 0.827441 0.260031 H\n0.427909 0.275915 0.510368 H\n0.072650 0.725240 0.011479 H\n0.970341 0.553156 0.721349 O\n0.528520 0.976362 0.220466 O\n0.974249 0.021726 0.721151 O\n0.528297 0.445458 0.221660 O\n0.195472 0.776265 0.528695 O\n0.774191 0.227001 0.027722 O\n0.724136 0.775463 0.528423 O\n0.303150 0.222296 0.028941 O\n0.028325 0.052961 0.278553 O\n0.469254 0.478164 0.779362 O\n0.028707 0.521557 0.279581 O\n0.470642 0.946133 0.778310 O\n0.276871 0.272371 0.472199 O\n0.694788 0.722657 0.970956 O\n0.804350 0.276288 0.470889 O\n0.223138 0.726211 0.972529 O\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Mn",
"H",
"O"
],
"chemical_system": "H-Mn-O",
"density": 3.5004522541053236,
"density_atomic": 0.09587932339668087,
"volume": 333.7528767032139,
"volume_molar": 6.280958758005246,
"formula_full": "Mn8 H8 O16",
"formula_reduced": "MnHO2",
"formula_anonymous": "ABC2",
"energy": -233.60655541,
"energy_per_atom": -7.3002048565625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -209.27055541,
"band_gap": 1.4247999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 32.004064,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:45.893000Z",
"spacegroup": 19
},
{
"id": "mp-1224907",
"created_at": "2022-09-04T14:40:06.845706Z",
"structure_string": "K12 V12 P12 O62\n1.0\n7.077239 0.000000 0.000000\n0.000000 13.572759 0.000000\n0.000000 0.000000 14.471968\nK V P O\n12 12 12 62\ndirect\n0.372156 0.000000 0.490224 K\n0.870728 0.000000 0.011221 K\n0.129272 0.500000 0.511221 K\n0.627844 0.500000 0.990224 K\n0.351034 0.759250 0.663785 K\n0.850049 0.243180 0.837638 K\n0.149951 0.256820 0.337638 K\n0.648966 0.740750 0.163785 K\n0.149951 0.743180 0.337638 K\n0.648966 0.259250 0.163785 K\n0.351034 0.240750 0.663785 K\n0.850049 0.756820 0.837638 K\n0.409094 0.875288 0.921462 V\n0.910723 0.125032 0.577607 V\n0.089277 0.374968 0.077607 V\n0.590906 0.624712 0.421462 V\n0.089277 0.625032 0.077607 V\n0.590906 0.375288 0.421462 V\n0.409094 0.124712 0.921462 V\n0.910723 0.874968 0.577607 V\n0.513284 0.500000 0.742343 V\n0.013075 0.500000 0.757569 V\n0.986925 0.000000 0.257569 V\n0.486716 0.000000 0.242343 V\n0.287935 0.651283 0.881071 P\n0.787905 0.348557 0.618890 P\n0.212095 0.151443 0.118890 P\n0.712065 0.848717 0.381071 P\n0.212095 0.848557 0.118890 P\n0.712065 0.151283 0.381071 P\n0.287935 0.348717 0.881071 P\n0.787905 0.651443 0.618890 P\n0.613959 0.000000 0.760369 P\n0.386041 0.500000 0.260369 P\n0.025434 0.000000 0.762860 P\n0.974566 0.500000 0.262860 P\n0.469488 0.394020 0.839275 O\n0.969089 0.606156 0.661101 O\n0.030911 0.893844 0.161101 O\n0.530512 0.105980 0.339275 O\n0.030911 0.106156 0.161101 O\n0.530512 0.894020 0.339275 O\n0.469488 0.605980 0.839275 O\n0.969089 0.393844 0.661101 O\n0.285011 0.500000 0.702772 O\n0.784972 0.500000 0.797537 O\n0.215028 0.000000 0.297537 O\n0.714989 0.000000 0.202772 O\n0.651589 0.000000 0.657408 O\n0.162770 0.000000 0.842465 O\n0.837230 0.500000 0.342465 O\n0.348411 0.500000 0.157408 O\n0.279182 0.763220 0.856682 O\n0.779951 0.236441 0.643136 O\n0.220049 0.263559 0.143136 O\n0.720818 0.736780 0.356682 O\n0.220049 0.736441 0.143136 O\n0.720818 0.263220 0.356682 O\n0.279182 0.236780 0.856682 O\n0.779951 0.763559 0.643136 O\n0.202626 0.865541 0.012896 O\n0.703073 0.134372 0.487138 O\n0.296927 0.365628 0.987138 O\n0.797374 0.634459 0.512896 O\n0.296927 0.634372 0.987138 O\n0.797374 0.365541 0.512896 O\n0.202626 0.134459 0.012896 O\n0.703073 0.865628 0.487138 O\n0.517990 0.903881 0.793720 O\n0.027356 0.095521 0.704486 O\n0.972644 0.404479 0.204486 O\n0.482010 0.596119 0.293720 O\n0.972644 0.595521 0.204486 O\n0.482010 0.403881 0.293720 O\n0.517990 0.096119 0.793720 O\n0.027356 0.904479 0.704486 O\n0.606655 0.393307 0.660267 O\n0.106705 0.606383 0.839865 O\n0.893295 0.893617 0.339865 O\n0.393345 0.106693 0.160267 O\n0.893295 0.106383 0.339865 O\n0.393345 0.893307 0.160267 O\n0.606655 0.606693 0.660267 O\n0.106705 0.393617 0.839865 O\n0.585776 0.815118 0.969000 O\n0.087963 0.185038 0.530373 O\n0.912037 0.314962 0.030373 O\n0.414224 0.684882 0.469000 O\n0.912037 0.685038 0.030373 O\n0.414224 0.315118 0.469000 O\n0.585776 0.184882 0.969000 O\n0.087963 0.814962 0.530373 O\n0.470250 0.000000 0.955230 O\n0.969688 0.000000 0.544245 O\n0.030312 0.500000 0.044245 O\n0.529750 0.500000 0.455230 O\n0.818194 0.000000 0.815446 O\n0.181806 0.500000 0.315446 O\n",
"nsites": 98,
"nelements": 4,
"elements": [
"K",
"V",
"P",
"O"
],
"chemical_system": "K-O-P-V",
"density": 2.9195304823910146,
"density_atomic": 0.07049632575527955,
"volume": 1390.1433720134085,
"volume_molar": 8.542488839638562,
"formula_full": "K12 V12 P12 O62",
"formula_reduced": "K6V6P6O31",
"formula_anonymous": "A6B6C6D31",
"energy": -746.77121504,
"energy_per_atom": -7.6201144391836735,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -683.77721504,
"band_gap": 0.0392000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.3513796,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:49.075000Z",
"spacegroup": 31
},
{
"id": "mp-1411",
"created_at": "2022-09-04T14:40:17.929645Z",
"structure_string": "Ta1 S2\n1.0\n0.000000 2.894882 11.492937\n1.671050 0.000000 11.492937\n1.671050 2.894882 0.000000\nTa S\n1 2\ndirect\n0.924457 0.075543 0.924457 Ta\n0.325788 0.810244 0.189756 S\n0.189756 0.674212 0.325788 S\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ta",
"S"
],
"chemical_system": "S-Ta",
"density": 3.6599224226302556,
"density_atomic": 0.02697987432489994,
"volume": 111.19399460031124,
"volume_molar": 22.320862904991806,
"formula_full": "Ta1 S2",
"formula_reduced": "TaS2",
"formula_anonymous": "AB2",
"energy": -24.268920640000005,
"energy_per_atom": -8.089640213333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.26292064,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.505462,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:00.889000Z",
"spacegroup": 42
},
{
"id": "mp-1221859",
"created_at": "2022-09-04T14:40:08.602797Z",
"structure_string": "Mn2 In1 Cu4 Sn1\n1.0\n7.280327 -2.193359 0.000000\n7.280327 2.193359 0.000000\n6.619529 0.000000 3.741099\nMn In Cu Sn\n2 1 4 1\ndirect\n0.250177 0.250177 0.250177 Mn\n0.749823 0.749823 0.749823 Mn\n0.000000 0.000000 0.000000 In\n0.625065 0.625065 0.625065 Cu\n0.124955 0.124955 0.124955 Cu\n0.875045 0.875045 0.875045 Cu\n0.374935 0.374935 0.374935 Cu\n0.500000 0.500000 0.500000 Sn\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Mn",
"In",
"Cu",
"Sn"
],
"chemical_system": "Cu-In-Mn-Sn",
"density": 8.30541287510748,
"density_atomic": 0.0669576469251228,
"volume": 119.47851167688461,
"volume_molar": 8.993955188918784,
"formula_full": "Mn2 In1 Cu4 Sn1",
"formula_reduced": "Mn2InCu4Sn",
"formula_anonymous": "ABC2D4",
"energy": -40.84775444,
"energy_per_atom": -5.105969305,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.84775444,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.5311603,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:48.749000Z",
"spacegroup": 166
},
{
"id": "mp-1016621",
"created_at": "2022-09-04T14:40:05.929005Z",
"structure_string": "Mg12 Cr2 B2\n1.0\n4.711999 0.000000 0.000000\n0.000000 6.020073 0.000000\n0.000000 0.000000 10.581141\nMg Cr B\n12 2 2\ndirect\n0.500000 0.248868 0.419274 Mg\n0.500000 0.751132 0.419274 Mg\n0.000000 0.745578 0.087261 Mg\n0.000000 0.254422 0.087261 Mg\n0.000000 0.000000 0.328053 Mg\n0.000000 0.500000 0.321463 Mg\n0.500000 0.748868 0.919274 Mg\n0.500000 0.251132 0.919274 Mg\n0.000000 0.245578 0.587261 Mg\n0.000000 0.754422 0.587261 Mg\n0.000000 0.500000 0.828053 Mg\n0.000000 0.000000 0.821463 Mg\n0.500000 0.000000 0.169786 Cr\n0.500000 0.500000 0.669786 Cr\n0.500000 0.500000 0.167624 B\n0.500000 0.000000 0.667624 B\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Cr",
"B"
],
"chemical_system": "B-Cr-Mg",
"density": 2.3085069256042003,
"density_atomic": 0.05330654483302397,
"volume": 300.1507610391554,
"volume_molar": 11.297188326243235,
"formula_full": "Mg12 Cr2 B2",
"formula_reduced": "Mg6CrB",
"formula_anonymous": "ABC6",
"energy": -44.3039163,
"energy_per_atom": -2.76899476875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -44.3039163,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.8460766,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:45.379000Z",
"spacegroup": 38
},
{
"id": "mp-1095887",
"created_at": "2022-09-04T14:40:06.859915Z",
"structure_string": "Al2 Co1 Rh1\n1.0\n-8.209821 0.005244 -4.731379\n-8.299550 0.072679 4.886098\n-5.540057 7.877701 0.106518\nAl Co Rh\n2 1 1\ndirect\n0.747581 0.999905 0.999905 Al\n0.252419 0.000095 0.000095 Al\n0.000000 0.000000 0.000000 Co\n0.500000 0.000000 0.000000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Al",
"Co",
"Rh"
],
"chemical_system": "Al-Co-Rh",
"density": 0.5749709532508168,
"density_atomic": 0.0064180307312311944,
"volume": 623.2441332097931,
"volume_molar": 93.83159745083911,
"formula_full": "Al2 Co1 Rh1",
"formula_reduced": "Al2CoRh",
"formula_anonymous": "ABC2",
"energy": -13.27663042,
"energy_per_atom": -3.319157605,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.27663042,
"band_gap": 0.0701999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0623018,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:53.132000Z",
"spacegroup": 71
},
{
"id": "mp-1184463",
"created_at": "2022-09-04T14:40:17.975568Z",
"structure_string": "Eu1 Ag2 Pb1\n1.0\n0.000000 3.665666 3.665666\n3.665666 0.000000 3.665666\n3.665666 3.665666 0.000000\nEu Ag Pb\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Eu\n0.250000 0.250000 0.250000 Ag\n0.750000 0.750000 0.750000 Ag\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Eu",
"Ag",
"Pb"
],
"chemical_system": "Ag-Eu-Pb",
"density": 9.690652906372712,
"density_atomic": 0.040604233970717024,
"volume": 98.51189417548726,
"volume_molar": 14.83131233147521,
"formula_full": "Eu1 Ag2 Pb1",
"formula_reduced": "EuAg2Pb",
"formula_anonymous": "ABC2",
"energy": -20.7294404,
"energy_per_atom": -5.1823601,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.7294404,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.9630738,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:52.095000Z",
"spacegroup": 225
},
{
"id": "mp-1225229",
"created_at": "2022-09-04T14:40:06.865420Z",
"structure_string": "Gd1 Fe10 Si2\n1.0\n0.000000 0.000000 4.732365\n-4.157934 4.191912 2.366182\n-4.157934 -4.191912 -2.366182\nGd Fe Si\n1 10 2\ndirect\n0.000000 0.000000 0.000000 Gd\n0.638515 0.361485 0.638515 Fe\n0.361485 0.638515 0.361485 Fe\n0.000000 0.354851 0.354851 Fe\n0.000000 0.645149 0.645149 Fe\n0.500000 0.788781 0.788781 Fe\n0.500000 0.211219 0.211219 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.000000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.737049 0.762951 0.237049 Si\n0.262951 0.237049 0.762951 Si\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Gd",
"Fe",
"Si"
],
"chemical_system": "Fe-Gd-Si",
"density": 7.769549609258704,
"density_atomic": 0.07880347600364154,
"volume": 164.96734229590666,
"volume_molar": 7.641973508531165,
"formula_full": "Gd1 Fe10 Si2",
"formula_reduced": "Gd(Fe5Si)2",
"formula_anonymous": "AB2C10",
"energy": -112.43718163,
"energy_per_atom": -8.649013971538462,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -112.57918163,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 27.3172829,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:47.952000Z",
"spacegroup": 71
},
{
"id": "mp-1120771",
"created_at": "2022-09-04T14:40:19.563460Z",
"structure_string": "Na2 Fe4 O7\n1.0\n5.244796 0.000041 -0.000130\n-2.622362 4.542062 0.000259\n-0.000151 0.000262 6.722093\nNa Fe O\n2 4 7\ndirect\n0.333337 0.666640 0.999979 Na\n0.666664 0.333305 0.999979 Na\n0.000000 0.999986 0.272780 Fe\n0.000001 0.999992 0.727233 Fe\n0.333333 0.666650 0.499997 Fe\n0.666664 0.333317 0.499996 Fe\n0.000001 0.640043 0.325694 O\n0.000000 0.359935 0.674316 O\n0.000000 0.999985 0.000009 O\n0.359946 0.359898 0.325672 O\n0.640053 0.640074 0.674336 O\n0.359947 0.000022 0.674336 O\n0.640055 0.999953 0.325672 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Na",
"Fe",
"O"
],
"chemical_system": "Fe-Na-O",
"density": 3.9544928379702236,
"density_atomic": 0.08118115347137585,
"volume": 160.13568967806978,
"volume_molar": 7.418151261084733,
"formula_full": "Na2 Fe4 O7",
"formula_reduced": "Na2Fe4O7",
"formula_anonymous": "A2B4C7",
"energy": -92.4418677,
"energy_per_atom": -7.110912900000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -78.6088677,
"band_gap": 1.4148,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 19.9998913,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:48.010000Z",
"spacegroup": 162
}
]
}