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=12170",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_magnetic&page=12168",
"results": [
{
"id": "mp-1226381",
"created_at": "2022-09-04T14:39:42.415978Z",
"structure_string": "Cr4 Co2 Se2 S6\n1.0\n-4.948062 0.001415 -4.932717\n4.949477 -4.949477 0.000000\n-4.946646 -4.946646 0.000000\nCr Co Se S\n4 2 2 6\ndirect\n0.514121 0.507409 0.992940 Cr\n0.514121 0.006712 0.992940 Cr\n0.998743 0.999371 0.519359 Cr\n0.998743 0.999371 0.981898 Cr\n0.711477 0.355739 0.394261 Co\n0.266416 0.633208 0.616792 Co\n0.002362 0.758697 0.248819 Se\n0.002362 0.243666 0.248819 Se\n0.483964 0.241982 0.774018 S\n0.483964 0.241982 0.242018 S\n0.996687 0.246205 0.751657 S\n0.996687 0.750482 0.751657 S\n0.515177 0.757588 0.226876 S\n0.515177 0.757588 0.757947 S\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Cr",
"Co",
"Se",
"S"
],
"chemical_system": "Co-Cr-S-Se",
"density": 4.64849900717865,
"density_atomic": 0.05796177784144191,
"volume": 241.53848486666303,
"volume_molar": 10.389848248744105,
"formula_full": "Cr4 Co2 Se2 S6",
"formula_reduced": "Cr2CoSeS3",
"formula_anonymous": "ABC2D3",
"energy": -96.02375048,
"energy_per_atom": -6.85883932,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -92.06175048,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.5921673,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:38.014000Z",
"spacegroup": 44
},
{
"id": "mp-973553",
"created_at": "2022-09-04T14:39:41.835429Z",
"structure_string": "Gd1 Al8 Cu4\n1.0\n-4.406901 4.406901 2.573562\n4.406901 -4.406901 2.573562\n4.406901 4.406901 -2.573562\nGd Al Cu\n1 8 4\ndirect\n0.000000 0.000000 0.000000 Gd\n0.500000 0.719763 0.219763 Al\n0.280237 0.500000 0.780237 Al\n0.000000 0.347622 0.347622 Al\n0.652378 0.000000 0.652378 Al\n0.347622 0.000000 0.347622 Al\n0.000000 0.652378 0.652378 Al\n0.500000 0.280237 0.780237 Al\n0.719763 0.500000 0.219763 Al\n0.000000 0.000000 0.500000 Cu\n0.500000 0.500000 0.500000 Cu\n0.500000 0.000000 0.000000 Cu\n0.000000 0.500000 0.000000 Cu\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Gd",
"Al",
"Cu"
],
"chemical_system": "Al-Cu-Gd",
"density": 5.210191558178447,
"density_atomic": 0.06502526593799714,
"volume": 199.9222888591606,
"volume_molar": 9.261232035163424,
"formula_full": "Gd1 Al8 Cu4",
"formula_reduced": "Gd(Al2Cu)4",
"formula_anonymous": "AB4C8",
"energy": -64.51159926,
"energy_per_atom": -4.962430712307692,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -64.51159926,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.0324456,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:33.403000Z",
"spacegroup": 139
},
{
"id": "mp-1228140",
"created_at": "2022-09-04T14:39:41.844227Z",
"structure_string": "Ce4 C10 O31\n1.0\n6.472383 0.000000 0.000000\n-1.829253 8.129714 0.000000\n-0.212077 -3.904493 12.428345\nCe C O\n4 10 31\ndirect\n0.907726 0.976889 0.733009 Ce\n0.093485 0.020570 0.264930 Ce\n0.685505 0.312221 0.904064 Ce\n0.317035 0.687721 0.094635 Ce\n0.953227 0.697530 0.865016 C\n0.046275 0.301250 0.133881 C\n0.907374 0.920308 0.474970 C\n0.091562 0.080601 0.523039 C\n0.227346 0.291077 0.873005 C\n0.775025 0.708060 0.126389 C\n0.561515 0.942121 0.961337 C\n0.438429 0.058433 0.037377 C\n0.762590 0.605111 0.778877 C\n0.236669 0.393798 0.219940 C\n0.347409 0.434159 0.929782 O\n0.653525 0.565350 0.070202 O\n0.024459 0.270803 0.851946 O\n0.977455 0.726403 0.148014 O\n0.680838 0.109268 0.745430 O\n0.322477 0.890372 0.251969 O\n0.051077 0.844339 0.861083 O\n0.948744 0.154459 0.138092 O\n0.816011 0.848988 0.541061 O\n0.185111 0.150494 0.456713 O\n0.240460 0.613306 0.649908 O\n0.777001 0.391207 0.337583 O\n0.991176 0.617903 0.930092 O\n0.007740 0.380666 0.068896 O\n0.181576 0.740528 0.640705 O\n0.771620 0.244660 0.342637 O\n0.661705 0.456318 0.777904 O\n0.337507 0.542840 0.221634 O\n0.723136 0.685801 0.715316 O\n0.275373 0.312902 0.283707 O\n0.307446 0.160293 0.832899 O\n0.697145 0.840347 0.165472 O\n0.867793 0.875557 0.374103 O\n0.132045 0.125589 0.623961 O\n0.516965 0.784405 0.954331 O\n0.483922 0.216360 0.044904 O\n0.698887 0.017515 0.911653 O\n0.300477 0.982701 0.086633 O\n0.360923 0.577554 0.494010 O\n0.301716 0.702277 0.483651 O\n0.818520 0.283945 0.563141 O\n",
"nsites": 45,
"nelements": 3,
"elements": [
"Ce",
"C",
"O"
],
"chemical_system": "C-Ce-O",
"density": 2.98749780639276,
"density_atomic": 0.06881129597311264,
"volume": 653.9623961970332,
"volume_molar": 8.75167467032316,
"formula_full": "Ce4 C10 O31",
"formula_reduced": "Ce4C10O31",
"formula_anonymous": "A4B10C31",
"energy": -340.71934631,
"energy_per_atom": -7.571541029111111,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -335.72834631,
"band_gap": 1.0241,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 0.0470061,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:38.253000Z",
"spacegroup": 1
},
{
"id": "mp-705094",
"created_at": "2022-09-04T14:39:41.852874Z",
"structure_string": "Co8 As8 O20\n1.0\n6.324060 0.000000 0.000000\n1.779553 9.280617 0.000000\n1.325158 3.705753 8.639644\nCo As O\n8 8 20\ndirect\n0.325198 0.264882 0.455632 Co\n0.145621 0.938899 0.629287 Co\n0.599303 0.410854 0.155762 Co\n0.902773 0.608764 0.847801 Co\n0.097227 0.391236 0.152199 Co\n0.400697 0.589146 0.844238 Co\n0.854379 0.061101 0.370713 Co\n0.674802 0.735118 0.544368 Co\n0.786924 0.390424 0.486058 As\n0.261274 0.281078 0.833861 As\n0.385529 0.032889 0.255718 As\n0.738726 0.718922 0.166139 As\n0.213076 0.609576 0.513942 As\n0.769365 0.225584 0.990249 As\n0.614471 0.967111 0.744282 As\n0.230635 0.774416 0.009751 As\n0.829562 0.030287 0.592597 O\n0.404895 0.641931 0.618356 O\n0.970790 0.659449 0.615566 O\n0.760606 0.609457 0.377172 O\n0.824091 0.568948 0.091417 O\n0.625840 0.943098 0.364454 O\n0.374160 0.056902 0.635546 O\n0.876571 0.234413 0.157936 O\n0.029210 0.340551 0.384434 O\n0.123429 0.765587 0.842064 O\n0.170438 0.969713 0.407403 O\n0.010023 0.198992 0.872224 O\n0.685320 0.438771 0.910634 O\n0.378589 0.231510 0.242092 O\n0.175909 0.431052 0.908583 O\n0.595105 0.358069 0.381644 O\n0.621411 0.768490 0.757908 O\n0.314680 0.561229 0.089366 O\n0.239394 0.390543 0.622828 O\n0.989977 0.801008 0.127776 O\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Co",
"As",
"O"
],
"chemical_system": "As-Co-O",
"density": 4.554632399195313,
"density_atomic": 0.07099599028232538,
"volume": 507.0708902973396,
"volume_molar": 8.482367435191938,
"formula_full": "Co8 As8 O20",
"formula_reduced": "Co2As2O5",
"formula_anonymous": "A2B2C5",
"energy": -246.86941924,
"energy_per_atom": -6.857483867777778,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -220.02541924,
"band_gap": 1.9352,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 23.9999999,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:25.686000Z",
"spacegroup": 2
},
{
"id": "mp-634716",
"created_at": "2022-09-04T14:39:42.274218Z",
"structure_string": "Cu1 H12 I4 N4\n1.0\n4.568622 5.998274 0.000000\n-4.568622 5.998274 0.000000\n0.000000 2.372123 6.206646\nCu H I N\n1 12 4 4\ndirect\n0.500000 0.500000 0.000000 Cu\n0.518480 0.262916 0.366734 H\n0.262916 0.518480 0.366734 H\n0.481520 0.737084 0.633266 H\n0.737084 0.481520 0.633266 H\n0.507154 0.148569 0.193705 H\n0.148569 0.507154 0.193705 H\n0.492846 0.851431 0.806295 H\n0.851431 0.492846 0.806295 H\n0.709774 0.198293 0.187847 H\n0.198293 0.709774 0.187847 H\n0.290226 0.801707 0.812153 H\n0.801707 0.290226 0.812153 H\n0.088577 0.088577 0.281037 I\n0.911423 0.911423 0.718963 I\n0.293913 0.293913 0.784991 I\n0.706087 0.706087 0.215009 I\n0.566901 0.250101 0.209912 N\n0.250101 0.566901 0.209912 N\n0.433099 0.749899 0.790088 N\n0.749899 0.433099 0.790088 N\n",
"nsites": 21,
"nelements": 4,
"elements": [
"Cu",
"H",
"I",
"N"
],
"chemical_system": "Cu-H-I-N",
"density": 3.1206550500125982,
"density_atomic": 0.06173348521568949,
"volume": 340.1719492529619,
"volume_molar": 9.755063623832923,
"formula_full": "Cu1 H12 I4 N4",
"formula_reduced": "CuH12(IN)4",
"formula_anonymous": "AB4C4D12",
"energy": -94.38753961,
"energy_per_atom": -4.494644743333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -91.42753961,
"band_gap": 0.7524000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0000601,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:34.906000Z",
"spacegroup": 12
},
{
"id": "mp-1186163",
"created_at": "2022-09-04T14:39:41.843654Z",
"structure_string": "Np3 As1\n1.0\n-2.135863 2.135863 4.186993\n2.135863 -2.135863 4.186993\n2.135863 2.135863 -4.186993\nNp As\n3 1\ndirect\n0.750000 0.250000 0.500000 Np\n0.250000 0.750000 0.500000 Np\n0.500000 0.500000 0.000000 Np\n0.000000 0.000000 0.000000 As\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Np",
"As"
],
"chemical_system": "As-Np",
"density": 17.08123671998797,
"density_atomic": 0.05235413400939555,
"volume": 76.40275358737009,
"volume_molar": 11.50270341386844,
"formula_full": "Np3 As1",
"formula_reduced": "Np3As",
"formula_anonymous": "AB3",
"energy": -43.60064678,
"energy_per_atom": -10.900161695,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -43.60064678,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.2342638,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:39.897000Z",
"spacegroup": 139
},
{
"id": "mp-1225296",
"created_at": "2022-09-04T14:39:41.850898Z",
"structure_string": "Gd1 Ti1 Fe11 C1\n1.0\n0.000000 0.000000 4.878419\n-4.278797 4.233898 2.439209\n-4.278797 -4.233898 -2.439209\nGd Ti Fe C\n1 1 11 1\ndirect\n0.008131 0.991869 0.008131 Gd\n0.633711 0.366289 0.633711 Ti\n0.725880 0.774120 0.225880 Fe\n0.276623 0.223377 0.776623 Fe\n0.497475 0.781647 0.776596 Fe\n0.497475 0.223404 0.218353 Fe\n0.499970 0.997628 0.498827 Fe\n0.001229 0.997628 0.498827 Fe\n0.499970 0.501173 0.002372 Fe\n0.001229 0.501173 0.002372 Fe\n0.357276 0.642724 0.357276 Fe\n0.999789 0.359099 0.358676 Fe\n0.999789 0.641324 0.640901 Fe\n0.501455 0.998545 0.001455 C\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Gd",
"Ti",
"Fe",
"C"
],
"chemical_system": "C-Fe-Gd-Ti",
"density": 7.810877150799338,
"density_atomic": 0.07920577865917236,
"volume": 176.7547802319186,
"volume_molar": 7.603158332567709,
"formula_full": "Gd1 Ti1 Fe11 C1",
"formula_reduced": "GdTiFe11C",
"formula_anonymous": "ABCD11",
"energy": -125.37371873,
"energy_per_atom": -8.955265623571428,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -125.37371873,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 28.7849385,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:28.503000Z",
"spacegroup": 44
},
{
"id": "mp-1101562",
"created_at": "2022-09-04T14:39:41.860783Z",
"structure_string": "Cr2 P10 O30\n1.0\n12.187372 0.000000 -0.598765\n0.000000 10.452572 0.000000\n0.088299 0.000000 5.031910\nCr P O\n2 10 30\ndirect\n0.997122 0.001752 0.003811 Cr\n0.497122 0.998248 0.503812 Cr\n0.747080 0.988329 0.754714 P\n0.848521 0.557879 0.436281 P\n0.080529 0.166673 0.516840 P\n0.152010 0.443021 0.566406 P\n0.247080 0.011671 0.254715 P\n0.348522 0.442121 0.936282 P\n0.414995 0.164577 0.991590 P\n0.580529 0.833327 0.016839 P\n0.652010 0.556979 0.066406 P\n0.914995 0.835423 0.491590 P\n0.692038 0.479730 0.807821 O\n0.998603 0.887060 0.688651 O\n0.996554 0.116551 0.318828 O\n0.055778 0.154276 0.805942 O\n0.078237 0.527007 0.708409 O\n0.104411 0.313099 0.444108 O\n0.192038 0.520270 0.307821 O\n0.152942 0.942764 0.118784 O\n0.199778 0.106616 0.475468 O\n0.250272 0.385754 0.750800 O\n0.294710 0.108822 0.038234 O\n0.340891 0.940762 0.387389 O\n0.308383 0.520825 0.192751 O\n0.394709 0.312087 0.061196 O\n0.438268 0.150168 0.702088 O\n0.423413 0.524789 0.794558 O\n0.496554 0.883449 0.818827 O\n0.498603 0.112940 0.188653 O\n0.555778 0.845724 0.305943 O\n0.938267 0.849832 0.202089 O\n0.604412 0.686901 0.944109 O\n0.923412 0.475211 0.294557 O\n0.652942 0.057236 0.618784 O\n0.699778 0.893384 0.975468 O\n0.750272 0.614246 0.250801 O\n0.794709 0.891178 0.538235 O\n0.840891 0.059238 0.887388 O\n0.808383 0.479175 0.692751 O\n0.894709 0.687913 0.561196 O\n0.578237 0.472992 0.208408 O\n",
"nsites": 42,
"nelements": 3,
"elements": [
"Cr",
"P",
"O"
],
"chemical_system": "Cr-O-P",
"density": 2.3131630443824203,
"density_atomic": 0.06546496445290739,
"volume": 641.5645429734091,
"volume_molar": 9.199028534311758,
"formula_full": "Cr2 P10 O30",
"formula_reduced": "Cr(PO3)5",
"formula_anonymous": "AB5C15",
"energy": -314.68642387,
"energy_per_atom": -7.4925339016666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -296.73842387,
"band_gap": 2.4761,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.0014948,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:35.693000Z",
"spacegroup": 7
},
{
"id": "mp-1260708",
"created_at": "2022-09-04T14:39:41.853014Z",
"structure_string": "Ca4 Mn4 Si8 O28\n1.0\n3.831895 8.679402 0.000000\n-3.831895 8.679402 0.000000\n0.000000 5.863158 8.218763\nCa Mn Si O\n4 4 8 28\ndirect\n0.154690 0.241671 0.067630 Ca\n0.758329 0.845310 0.432370 Ca\n0.241671 0.154690 0.567630 Ca\n0.845310 0.758329 0.932370 Ca\n0.788333 0.211667 0.750000 Mn\n0.211667 0.788333 0.250000 Mn\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.527982 0.129037 0.694755 Si\n0.129037 0.527982 0.194755 Si\n0.546814 0.195498 0.100161 Si\n0.195498 0.546814 0.600161 Si\n0.870963 0.472018 0.805245 Si\n0.453186 0.804502 0.899839 Si\n0.804502 0.453186 0.399839 Si\n0.472018 0.870963 0.305245 Si\n0.912136 0.263142 0.339273 O\n0.968644 0.897762 0.409453 O\n0.448682 0.676778 0.087933 O\n0.897762 0.968644 0.909453 O\n0.261186 0.912332 0.322825 O\n0.036128 0.499500 0.627171 O\n0.676778 0.448682 0.587933 O\n0.087668 0.738814 0.177175 O\n0.963872 0.500500 0.372829 O\n0.663668 0.652338 0.274586 O\n0.031356 0.102238 0.590547 O\n0.738814 0.087668 0.677175 O\n0.500500 0.963872 0.872829 O\n0.263142 0.912136 0.839273 O\n0.652338 0.663668 0.774586 O\n0.912332 0.261186 0.822825 O\n0.913405 0.468959 0.939427 O\n0.336332 0.347662 0.725414 O\n0.531041 0.086595 0.560573 O\n0.347662 0.336332 0.225414 O\n0.499500 0.036128 0.127171 O\n0.102238 0.031356 0.090547 O\n0.468959 0.913405 0.439427 O\n0.551318 0.323222 0.912067 O\n0.086595 0.531041 0.060573 O\n0.323222 0.551318 0.412067 O\n0.736858 0.087864 0.160727 O\n0.087864 0.736858 0.660727 O\n",
"nsites": 44,
"nelements": 4,
"elements": [
"Ca",
"Mn",
"Si",
"O"
],
"chemical_system": "Ca-Mn-O-Si",
"density": 3.197619688178236,
"density_atomic": 0.08048460549315975,
"volume": 546.6883974940957,
"volume_molar": 7.482351094473354,
"formula_full": "Ca4 Mn4 Si8 O28",
"formula_reduced": "CaMnSi2O7",
"formula_anonymous": "ABC2D7",
"energy": -352.53493931,
"energy_per_atom": -8.012157711590909,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -326.62693931,
"band_gap": 0.7001,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 12.0013348,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:32.180000Z",
"spacegroup": 15
},
{
"id": "mp-1183863",
"created_at": "2022-09-04T14:39:41.860717Z",
"structure_string": "Ce2 Pm6\n1.0\n3.669424 -6.355629 0.000000\n3.669424 6.355629 0.000000\n0.000000 0.000000 5.982921\nCe Pm\n2 6\ndirect\n0.333333 0.666667 0.750000 Ce\n0.666667 0.333333 0.250000 Ce\n0.166877 0.333754 0.250000 Pm\n0.666246 0.833123 0.250000 Pm\n0.166877 0.833123 0.250000 Pm\n0.833123 0.666246 0.750000 Pm\n0.333754 0.166877 0.750000 Pm\n0.833123 0.166877 0.750000 Pm\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ce",
"Pm"
],
"chemical_system": "Ce-Pm",
"density": 6.844391511471545,
"density_atomic": 0.028667530802742282,
"volume": 279.0613553377515,
"volume_molar": 21.006834531503962,
"formula_full": "Ce2 Pm6",
"formula_reduced": "CePm3",
"formula_anonymous": "AB3",
"energy": -39.61517832,
"energy_per_atom": -4.95189729,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.61517832,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.6566956,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:42.329000Z",
"spacegroup": 194
},
{
"id": "mp-1212332",
"created_at": "2022-09-04T14:39:41.880222Z",
"structure_string": "In1 Sb2\n1.0\n15.710309 0.000000 0.000000\n0.000000 16.547481 0.000000\n0.000000 0.000000 16.636454\nIn Sb\n1 2\ndirect\n0.500000 0.000000 0.500000 In\n0.500000 0.837010 0.500000 Sb\n0.500000 0.162990 0.500000 Sb\n",
"nsites": 3,
"nelements": 2,
"elements": [
"In",
"Sb"
],
"chemical_system": "In-Sb",
"density": 0.13758293859148263,
"density_atomic": 0.0006936555620604051,
"volume": 4324.913060725596,
"volume_molar": 868.1745075483988,
"formula_full": "In1 Sb2",
"formula_reduced": "InSb2",
"formula_anonymous": "AB2",
"energy": -7.0361136900000005,
"energy_per_atom": -2.34537123,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.65211369,
"band_gap": 0.0026999999999999,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 2.9927222,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:36.181000Z",
"spacegroup": 47
},
{
"id": "mp-1043864",
"created_at": "2022-09-04T14:39:41.884960Z",
"structure_string": "Ca4 La4 Fe4 Sb4 O24\n1.0\n5.694020 5.582738 0.025115\n-5.761427 5.651897 0.014547\n0.007808 0.030549 8.102012\nCa La Fe Sb O\n4 4 4 4 24\ndirect\n0.534535 0.981601 0.253223 Ca\n0.036564 0.483225 0.251400 Ca\n0.481779 0.531741 0.753032 Ca\n0.978648 0.034223 0.753504 Ca\n0.520436 0.469085 0.247049 La\n0.016954 0.972691 0.247349 La\n0.467455 0.016094 0.748774 La\n0.968438 0.516493 0.746795 La\n0.249790 0.749163 0.999807 Fe\n0.249627 0.250421 0.502031 Fe\n0.749553 0.249566 0.001883 Fe\n0.749472 0.749302 0.500480 Fe\n0.750624 0.248259 0.499536 Sb\n0.250945 0.748825 0.498807 Sb\n0.749164 0.751472 0.998860 Sb\n0.248885 0.251345 0.999273 Sb\n0.318490 0.285401 0.762182 O\n0.816786 0.787118 0.761860 O\n0.285202 0.818107 0.262138 O\n0.788123 0.318696 0.262637 O\n0.200542 0.010899 0.948828 O\n0.705790 0.509811 0.948324 O\n0.507262 0.204305 0.446667 O\n0.005450 0.703669 0.449663 O\n0.202914 0.988664 0.556326 O\n0.703181 0.486208 0.558730 O\n0.490827 0.199693 0.054335 O\n0.992639 0.706190 0.054837 O\n0.717994 0.180829 0.738226 O\n0.220254 0.682108 0.736930 O\n0.684279 0.719119 0.237339 O\n0.182418 0.221304 0.238110 O\n0.495588 0.791290 0.549241 O\n0.993441 0.290144 0.552744 O\n0.789545 0.992009 0.050748 O\n0.295339 0.490891 0.049969 O\n0.505659 0.792467 0.945409 O\n0.006696 0.298162 0.946631 O\n0.794000 0.010393 0.442310 O\n0.294710 0.509011 0.444016 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"Ca",
"La",
"Fe",
"Sb",
"O"
],
"chemical_system": "Ca-Fe-La-O-Sb",
"density": 5.766298800817344,
"density_atomic": 0.07672696406033552,
"volume": 521.3291114782717,
"volume_molar": 7.8487932290197095,
"formula_full": "Ca4 La4 Fe4 Sb4 O24",
"formula_reduced": "CaLaFeSbO6",
"formula_anonymous": "ABCDE6",
"energy": -305.63171908,
"energy_per_atom": -7.640792976999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -280.11971908,
"band_gap": 1.9744,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0001117,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:38.423000Z",
"spacegroup": 7
}
]
}