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_anonymous&page=12188",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_anonymous&page=12186",
"results": [
{
"id": "mp-768629",
"created_at": "2022-09-04T14:40:02.707782Z",
"structure_string": "Li4 Fe4 P4 C4 O28\n1.0\n8.241255 0.000000 0.000000\n-1.739150 8.098198 0.000000\n-0.539726 -0.742477 8.440009\nLi Fe P C O\n4 4 4 4 28\ndirect\n0.743180 0.501966 0.111114 Li\n0.589516 0.128627 0.288411 Li\n0.263953 0.513340 0.890766 Li\n0.771489 0.012807 0.884389 Li\n0.469152 0.720057 0.335114 Fe\n0.978049 0.221644 0.335800 Fe\n0.026972 0.775072 0.663050 Fe\n0.520564 0.270686 0.663135 Fe\n0.755468 0.506459 0.422326 P\n0.254384 0.998441 0.423127 P\n0.736067 0.993900 0.575294 P\n0.241272 0.488464 0.577936 P\n0.526296 0.784011 0.048891 C\n0.026025 0.274866 0.048825 C\n0.970301 0.724096 0.945975 C\n0.493628 0.230732 0.960934 C\n0.413658 0.654215 0.068722 O\n0.902449 0.155238 0.071885 O\n0.934748 0.687366 0.081945 O\n0.594860 0.872130 0.180601 O\n0.476275 0.190206 0.100181 O\n0.109802 0.352152 0.178248 O\n0.635017 0.575852 0.309999 O\n0.804896 0.371220 0.307196 O\n0.306247 0.864088 0.313977 O\n0.118817 0.060850 0.327004 O\n0.908578 0.645505 0.478722 O\n0.792732 0.076090 0.423421 O\n0.319475 0.554770 0.430034 O\n0.413242 0.141296 0.466187 O\n0.589328 0.847216 0.521084 O\n0.674988 0.432012 0.566080 O\n0.193764 0.934952 0.579708 O\n0.088362 0.347910 0.521502 O\n0.872324 0.936783 0.675974 O\n0.186322 0.619048 0.689808 O\n0.678541 0.119415 0.692992 O\n0.362917 0.419621 0.689091 O\n0.885989 0.640606 0.819419 O\n0.577068 0.827493 0.918866 O\n0.399402 0.147808 0.841589 O\n0.066925 0.321373 0.916901 O\n0.605583 0.355482 0.927460 O\n0.088142 0.842885 0.910503 O\n",
"nsites": 44,
"nelements": 5,
"elements": [
"Li",
"Fe",
"P",
"C",
"O"
],
"chemical_system": "C-Fe-Li-O-P",
"density": 2.5678818179124714,
"density_atomic": 0.07811384641686801,
"volume": 563.2804172154885,
"volume_molar": 7.709440817779997,
"formula_full": "Li4 Fe4 P4 C4 O28",
"formula_reduced": "LiFePCO7",
"formula_anonymous": "ABCDE7",
"energy": -329.58132818,
"energy_per_atom": -7.490484731363637,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -301.32132818,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 16.0000991,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:46.874000Z",
"spacegroup": 1
},
{
"id": "mp-772595",
"created_at": "2022-09-04T14:39:19.065438Z",
"structure_string": "Na2 Si2 Sb2 C2 O14\n1.0\n6.526539 0.000000 0.000000\n0.000000 5.351662 0.000000\n0.000000 0.434975 9.306164\nNa Si Sb C O\n2 2 2 2 14\ndirect\n0.525944 0.759886 0.777818 Na\n0.025944 0.240114 0.222182 Na\n0.743838 0.274989 0.565304 Si\n0.243838 0.725011 0.434696 Si\n0.237891 0.211841 0.657658 Sb\n0.737891 0.788159 0.342342 Sb\n0.255612 0.275659 0.923534 C\n0.755612 0.724341 0.076466 C\n0.751543 0.691997 0.947680 O\n0.252865 0.051845 0.862889 O\n0.260435 0.463196 0.819351 O\n0.938949 0.210494 0.669987 O\n0.544638 0.199927 0.664138 O\n0.256223 0.873804 0.584449 O\n0.734214 0.578737 0.521932 O\n0.234214 0.421263 0.478068 O\n0.756223 0.126196 0.415551 O\n0.044638 0.800073 0.335862 O\n0.438949 0.789506 0.330013 O\n0.760435 0.536804 0.180649 O\n0.752865 0.948155 0.137111 O\n0.251543 0.308003 0.052320 O\n",
"nsites": 22,
"nelements": 5,
"elements": [
"Na",
"Si",
"Sb",
"C",
"O"
],
"chemical_system": "C-Na-O-Sb-Si",
"density": 3.032925823569169,
"density_atomic": 0.06768311919937897,
"volume": 325.0441211964986,
"volume_molar": 8.897552050253703,
"formula_full": "Na2 Si2 Sb2 C2 O14",
"formula_reduced": "NaSiSbCO7",
"formula_anonymous": "ABCDE7",
"energy": -159.00039465999998,
"energy_per_atom": -7.227290666363635,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -149.38239466,
"band_gap": 2.7702,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.94e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:27.187000Z",
"spacegroup": 4
},
{
"id": "mp-756880",
"created_at": "2022-09-04T14:39:18.010153Z",
"structure_string": "K2 Ce2 P2 C2 O14\n1.0\n7.092321 0.000000 0.000000\n0.000000 5.818369 0.000000\n0.000000 0.086244 10.193922\nK Ce P C O\n2 2 2 2 14\ndirect\n0.543098 0.750984 0.781193 K\n0.043098 0.249016 0.218807 K\n0.225037 0.218664 0.650258 Ce\n0.725037 0.781336 0.349742 Ce\n0.732778 0.281243 0.564641 P\n0.232778 0.718757 0.435359 P\n0.267599 0.274428 0.915888 C\n0.767599 0.725572 0.084112 C\n0.776849 0.694191 0.964630 O\n0.261578 0.069253 0.858256 O\n0.260927 0.446279 0.826541 O\n0.908980 0.230189 0.650228 O\n0.552409 0.217398 0.642588 O\n0.245600 0.863248 0.563530 O\n0.727296 0.541874 0.527217 O\n0.227296 0.458126 0.472783 O\n0.745600 0.136752 0.436470 O\n0.052409 0.782602 0.357412 O\n0.408980 0.769811 0.349772 O\n0.760927 0.553721 0.173459 O\n0.761578 0.930747 0.141744 O\n0.276849 0.305809 0.035370 O\n",
"nsites": 22,
"nelements": 5,
"elements": [
"K",
"Ce",
"P",
"C",
"O"
],
"chemical_system": "C-Ce-K-O-P",
"density": 2.6384418161674676,
"density_atomic": 0.052298800752100805,
"volume": 420.65974140174285,
"volume_molar": 11.514873521756794,
"formula_full": "K2 Ce2 P2 C2 O14",
"formula_reduced": "KCePCO7",
"formula_anonymous": "ABCDE7",
"energy": -173.5748892,
"energy_per_atom": -7.889767690909091,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -163.9568892,
"band_gap": 1.1836,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.22e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:37.683000Z",
"spacegroup": 4
},
{
"id": "mp-25466",
"created_at": "2022-09-04T14:47:10.044950Z",
"structure_string": "Li2 Cu2 P2 C2 O14\n1.0\n6.412109 0.000000 0.000000\n0.000000 5.001830 0.000000\n0.000000 0.511542 8.443180\nLi Cu P C O\n2 2 2 2 14\ndirect\n0.013295 0.219462 0.248262 Li\n0.513295 0.780538 0.751738 Li\n0.745874 0.792295 0.338926 Cu\n0.245874 0.207705 0.661074 Cu\n0.253010 0.718948 0.424781 P\n0.753010 0.281052 0.575219 P\n0.746873 0.725076 0.060499 C\n0.246873 0.274924 0.939501 C\n0.566664 0.175753 0.677150 O\n0.751752 0.958297 0.122632 O\n0.263929 0.468536 0.828536 O\n0.763929 0.531464 0.171464 O\n0.436528 0.788708 0.312688 O\n0.769864 0.154981 0.413208 O\n0.936528 0.211292 0.687312 O\n0.269864 0.845019 0.586792 O\n0.066664 0.824247 0.322850 O\n0.231946 0.408772 0.460628 O\n0.723466 0.692153 0.917749 O\n0.223466 0.307847 0.082251 O\n0.731946 0.591228 0.539372 O\n0.251752 0.041703 0.877368 O\n",
"nsites": 22,
"nelements": 5,
"elements": [
"Li",
"Cu",
"P",
"C",
"O"
],
"chemical_system": "C-Cu-Li-O-P",
"density": 2.7652010466099597,
"density_atomic": 0.08124316040150052,
"volume": 270.79202595365393,
"volume_molar": 7.412489531720351,
"formula_full": "Li2 Cu2 P2 C2 O14",
"formula_reduced": "LiCuPCO7",
"formula_anonymous": "ABCDE7",
"energy": -151.1203641,
"energy_per_atom": -6.869107459090909,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -141.5023641,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.7977292,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:54.050000Z",
"spacegroup": 4
},
{
"id": "mp-772044",
"created_at": "2022-09-04T14:47:10.498326Z",
"structure_string": "Na2 V2 Si2 C2 O14\n1.0\n6.426129 0.000000 0.000000\n0.000000 5.407741 0.000000\n0.000000 0.515931 9.047669\nNa V Si C O\n2 2 2 2 14\ndirect\n0.514186 0.764817 0.776121 Na\n0.014186 0.235183 0.223879 Na\n0.234085 0.201803 0.656224 V\n0.734085 0.798197 0.343776 V\n0.740158 0.275235 0.561955 Si\n0.240158 0.724765 0.438045 Si\n0.256540 0.277641 0.919886 C\n0.756540 0.722359 0.080114 C\n0.755489 0.689820 0.946863 O\n0.250418 0.056876 0.859828 O\n0.259529 0.453340 0.811161 O\n0.953103 0.213644 0.658636 O\n0.540125 0.205149 0.662333 O\n0.254367 0.894821 0.583502 O\n0.744149 0.568999 0.501902 O\n0.244149 0.431001 0.498098 O\n0.754367 0.105179 0.416498 O\n0.040125 0.794851 0.337667 O\n0.453103 0.786356 0.341364 O\n0.759529 0.546660 0.188839 O\n0.750418 0.943124 0.140172 O\n0.255489 0.310180 0.053137 O\n",
"nsites": 22,
"nelements": 5,
"elements": [
"Na",
"V",
"Si",
"C",
"O"
],
"chemical_system": "C-Na-O-Si-V",
"density": 2.3874276476651906,
"density_atomic": 0.06997141462140519,
"volume": 314.4141092335427,
"volume_molar": 8.606572830610954,
"formula_full": "Na2 V2 Si2 C2 O14",
"formula_reduced": "NaVSiCO7",
"formula_anonymous": "ABCDE7",
"energy": -171.46936263,
"energy_per_atom": -7.794061937727273,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -158.45136263,
"band_gap": 1.6175000000000002,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.6e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:52.704000Z",
"spacegroup": 4
},
{
"id": "mp-767717",
"created_at": "2022-09-04T14:45:33.636719Z",
"structure_string": "Na2 Pr2 P2 C2 O14\n1.0\n7.208512 0.000000 0.000000\n0.000000 5.363737 0.000000\n0.000000 0.130243 9.795476\nNa Pr P C O\n2 2 2 2 14\ndirect\n0.533291 0.769569 0.771464 Na\n0.033291 0.230431 0.228536 Na\n0.222226 0.219736 0.628246 Pr\n0.722226 0.780264 0.371754 Pr\n0.730071 0.283157 0.583818 P\n0.230071 0.716843 0.416182 P\n0.276448 0.276846 0.930542 C\n0.776448 0.723154 0.069458 C\n0.742521 0.691007 0.944136 O\n0.284760 0.054338 0.882123 O\n0.297146 0.461149 0.845678 O\n0.906887 0.212467 0.663254 O\n0.556327 0.156971 0.645880 O\n0.250826 0.794935 0.569920 O\n0.701647 0.571700 0.580040 O\n0.201647 0.428300 0.419960 O\n0.750826 0.205065 0.430080 O\n0.056327 0.843029 0.354120 O\n0.406887 0.787533 0.336746 O\n0.797146 0.538851 0.154322 O\n0.784760 0.945662 0.117877 O\n0.242521 0.308993 0.055864 O\n",
"nsites": 22,
"nelements": 5,
"elements": [
"Na",
"Pr",
"P",
"C",
"O"
],
"chemical_system": "C-Na-O-P-Pr",
"density": 2.796176432307602,
"density_atomic": 0.05808768052914512,
"volume": 378.7377943066885,
"volume_molar": 10.367328674758202,
"formula_full": "Na2 Pr2 P2 C2 O14",
"formula_reduced": "NaPrPCO7",
"formula_anonymous": "ABCDE7",
"energy": -167.83689442,
"energy_per_atom": -7.628949746363636,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -158.21889442,
"band_gap": 0.1574000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9996359,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:11.654000Z",
"spacegroup": 4
},
{
"id": "mp-768815",
"created_at": "2022-09-04T14:43:47.817609Z",
"structure_string": "Na2 Sb2 As2 C2 O14\n1.0\n6.917536 0.000000 0.000000\n0.000000 5.674363 0.000000\n0.000000 0.164647 9.402215\nNa Sb As C O\n2 2 2 2 14\ndirect\n0.508645 0.763580 0.791304 Na\n0.008645 0.236420 0.208696 Na\n0.240384 0.206273 0.657356 Sb\n0.740384 0.793727 0.342644 Sb\n0.746797 0.283051 0.571656 As\n0.246797 0.716949 0.428344 As\n0.257258 0.276848 0.925400 C\n0.757258 0.723152 0.074600 C\n0.744254 0.690440 0.946516 O\n0.255543 0.062610 0.864557 O\n0.270291 0.451308 0.825934 O\n0.940373 0.205403 0.679135 O\n0.548428 0.179489 0.665746 O\n0.263606 0.844854 0.594121 O\n0.726572 0.585791 0.541645 O\n0.226572 0.414209 0.458355 O\n0.763606 0.155146 0.405879 O\n0.048428 0.820511 0.334254 O\n0.440373 0.794597 0.320865 O\n0.770291 0.548692 0.174066 O\n0.755543 0.937390 0.135443 O\n0.244254 0.309560 0.053484 O\n",
"nsites": 22,
"nelements": 5,
"elements": [
"Na",
"Sb",
"As",
"C",
"O"
],
"chemical_system": "As-C-Na-O-Sb",
"density": 3.092658305846771,
"density_atomic": 0.0596106640629236,
"volume": 369.0614816298192,
"volume_molar": 10.102455415767842,
"formula_full": "Na2 Sb2 As2 C2 O14",
"formula_reduced": "NaSbAsCO7",
"formula_anonymous": "ABCDE7",
"energy": -146.84365646999998,
"energy_per_atom": -6.674711657727272,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -137.22565647,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0034624,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:17.838000Z",
"spacegroup": 4
},
{
"id": "mp-1101670",
"created_at": "2022-09-04T14:43:42.112399Z",
"structure_string": "Na2 Co2 P2 C2 O14\n1.0\n6.353488 0.000000 0.000000\n0.000000 5.177936 0.000000\n0.000000 0.385182 8.978676\nNa Co P C O\n2 2 2 2 14\ndirect\n0.460475 0.242346 0.251384 Na\n0.960475 0.757654 0.748616 Na\n0.769278 0.786180 0.342084 Co\n0.269278 0.213820 0.657916 Co\n0.258262 0.719310 0.430038 P\n0.758262 0.280690 0.569962 P\n0.741598 0.713363 0.075387 C\n0.241598 0.286637 0.924613 C\n0.235045 0.327477 0.059867 O\n0.749723 0.942451 0.129763 O\n0.742363 0.528920 0.179418 O\n0.061560 0.779445 0.330523 O\n0.449372 0.792987 0.331597 O\n0.745518 0.130774 0.426139 O\n0.264821 0.422999 0.469773 O\n0.764821 0.577001 0.530227 O\n0.245518 0.869226 0.573861 O\n0.949372 0.207013 0.668403 O\n0.561560 0.220555 0.669477 O\n0.242363 0.471080 0.820582 O\n0.249723 0.057549 0.870237 O\n0.735045 0.672523 0.940133 O\n",
"nsites": 22,
"nelements": 5,
"elements": [
"Na",
"Co",
"P",
"C",
"O"
],
"chemical_system": "C-Co-Na-O-P",
"density": 2.6635992016927252,
"density_atomic": 0.07448031221888916,
"volume": 295.3800721906818,
"volume_molar": 8.085547147414761,
"formula_full": "Na2 Co2 P2 C2 O14",
"formula_reduced": "NaCoPCO7",
"formula_anonymous": "ABCDE7",
"energy": -157.81315342,
"energy_per_atom": -7.173325155454545,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -144.91915342,
"band_gap": 0.0078,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.000048,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:16.227000Z",
"spacegroup": 4
},
{
"id": "mp-1101475",
"created_at": "2022-09-04T14:42:57.553307Z",
"structure_string": "Na2 Si2 P2 C2 O14\n1.0\n6.036563 0.000000 0.000000\n0.000000 5.008150 0.000000\n0.000000 0.486092 9.536461\nNa Si P C O\n2 2 2 2 14\ndirect\n0.555273 0.775209 0.807055 Na\n0.055273 0.224791 0.192945 Na\n0.235956 0.222035 0.649236 Si\n0.735956 0.777965 0.350764 Si\n0.741551 0.265143 0.557035 P\n0.241551 0.734857 0.442965 P\n0.251022 0.295964 0.881939 C\n0.751022 0.704036 0.118061 C\n0.761581 0.662524 0.992915 O\n0.243072 0.057993 0.823498 O\n0.250140 0.481862 0.774844 O\n0.942263 0.215996 0.653524 O\n0.540554 0.208935 0.653544 O\n0.242845 0.917631 0.566962 O\n0.737891 0.562691 0.502196 O\n0.237891 0.437309 0.497804 O\n0.742845 0.082369 0.433038 O\n0.040554 0.791065 0.346456 O\n0.442263 0.784004 0.346476 O\n0.750140 0.518138 0.225156 O\n0.743072 0.942007 0.176502 O\n0.261581 0.337476 0.007085 O\n",
"nsites": 22,
"nelements": 5,
"elements": [
"Na",
"Si",
"P",
"C",
"O"
],
"chemical_system": "C-Na-O-P-Si",
"density": 2.373608385866963,
"density_atomic": 0.07630770257632911,
"volume": 288.30641281584684,
"volume_molar": 7.891917272671354,
"formula_full": "Na2 Si2 P2 C2 O14",
"formula_reduced": "NaSiPCO7",
"formula_anonymous": "ABCDE7",
"energy": -166.854742,
"energy_per_atom": -7.584306454545454,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -157.236742,
"band_gap": 5.337000000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:00.955000Z",
"spacegroup": 4
},
{
"id": "mp-768688",
"created_at": "2022-09-04T14:43:17.093759Z",
"structure_string": "Li4 Mn4 P4 C4 O28\n1.0\n6.240427 0.000000 0.000000\n0.000000 5.115696 0.000000\n0.000000 1.211182 16.665236\nLi Mn P C O\n4 4 4 4 28\ndirect\n0.471219 0.241815 0.131802 Li\n0.971219 0.758185 0.368198 Li\n0.028781 0.241815 0.631802 Li\n0.528781 0.758185 0.868198 Li\n0.760427 0.794563 0.164874 Mn\n0.260427 0.205437 0.335126 Mn\n0.739573 0.794563 0.664874 Mn\n0.239573 0.205437 0.835126 Mn\n0.254260 0.723041 0.212870 P\n0.754260 0.276959 0.287130 P\n0.245740 0.723041 0.712870 P\n0.745740 0.276959 0.787130 P\n0.734034 0.710390 0.025743 C\n0.234034 0.289610 0.474257 C\n0.765966 0.710390 0.525743 C\n0.265966 0.289610 0.974257 C\n0.749722 0.945470 0.052966 O\n0.279519 0.337204 0.045181 O\n0.735231 0.528325 0.087074 O\n0.062896 0.792286 0.157003 O\n0.448037 0.825271 0.161874 O\n0.738723 0.142846 0.207594 O\n0.274652 0.421461 0.232617 O\n0.774652 0.578539 0.267383 O\n0.238723 0.857154 0.292406 O\n0.948037 0.174729 0.338126 O\n0.562896 0.207714 0.342997 O\n0.235231 0.471675 0.412926 O\n0.779519 0.662796 0.454819 O\n0.249722 0.054530 0.447034 O\n0.750278 0.945470 0.552966 O\n0.220481 0.337204 0.545181 O\n0.764769 0.528325 0.587074 O\n0.051963 0.825271 0.661874 O\n0.437104 0.792286 0.657003 O\n0.761277 0.142846 0.707594 O\n0.225348 0.421461 0.732617 O\n0.725348 0.578539 0.767383 O\n0.261277 0.857154 0.792406 O\n0.937104 0.207714 0.842997 O\n0.551963 0.174729 0.838126 O\n0.264769 0.471675 0.912926 O\n0.720481 0.662796 0.954819 O\n0.250278 0.054530 0.947034 O\n",
"nsites": 44,
"nelements": 5,
"elements": [
"Li",
"Mn",
"P",
"C",
"O"
],
"chemical_system": "C-Li-Mn-O-P",
"density": 2.7074263437151282,
"density_atomic": 0.0827031730729502,
"volume": 532.0231179182061,
"volume_molar": 7.281632053812535,
"formula_full": "Li4 Mn4 P4 C4 O28",
"formula_reduced": "LiMnPCO7",
"formula_anonymous": "ABCDE7",
"energy": -337.51923138,
"energy_per_atom": -7.670891622272728,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -311.61123138,
"band_gap": 0.7423000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 11.5914724,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:07.463000Z",
"spacegroup": 14
},
{
"id": "mp-772152",
"created_at": "2022-09-04T14:42:46.904381Z",
"structure_string": "Na2 Co2 As2 C2 O14\n1.0\n6.234898 0.000000 0.000000\n0.000000 5.331750 0.000000\n0.000000 0.505634 9.231897\nNa Co As C O\n2 2 2 2 14\ndirect\n0.521502 0.764270 0.769872 Na\n0.021502 0.235730 0.230128 Na\n0.241595 0.214003 0.667565 Co\n0.741595 0.785997 0.332435 Co\n0.747593 0.282975 0.561221 As\n0.247593 0.717025 0.438779 As\n0.253687 0.273796 0.918652 C\n0.753687 0.726204 0.081348 C\n0.754070 0.692065 0.951113 O\n0.250019 0.055300 0.859041 O\n0.254979 0.454925 0.813559 O\n0.950269 0.212165 0.686588 O\n0.542853 0.201550 0.681544 O\n0.253890 0.878665 0.592898 O\n0.731692 0.603554 0.521027 O\n0.231692 0.396446 0.478973 O\n0.753890 0.121335 0.407102 O\n0.042853 0.798450 0.318456 O\n0.450269 0.787835 0.313412 O\n0.754979 0.545075 0.186441 O\n0.750019 0.944700 0.140959 O\n0.254070 0.307935 0.048887 O\n",
"nsites": 22,
"nelements": 5,
"elements": [
"Na",
"Co",
"As",
"C",
"O"
],
"chemical_system": "As-C-Co-Na-O",
"density": 3.0392406271260546,
"density_atomic": 0.07168571144510849,
"volume": 306.89518952247465,
"volume_molar": 8.400754681232817,
"formula_full": "Na2 Co2 As2 C2 O14",
"formula_reduced": "NaCoAsCO7",
"formula_anonymous": "ABCDE7",
"energy": -149.19923316,
"energy_per_atom": -6.781783325454546,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -136.30523316,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0027947,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:52.418000Z",
"spacegroup": 4
},
{
"id": "mp-25406",
"created_at": "2022-09-04T14:47:21.699762Z",
"structure_string": "Li2 Fe2 P2 C2 O14\n1.0\n6.438912 0.000000 0.000000\n0.000000 5.212629 0.000000\n0.000000 0.628567 8.629733\nLi Fe P C O\n2 2 2 2 14\ndirect\n0.981034 0.702804 0.215755 Li\n0.481034 0.297196 0.784245 Li\n0.746945 0.286748 0.351516 Fe\n0.246945 0.713252 0.648484 Fe\n0.254199 0.233840 0.423632 P\n0.754199 0.766160 0.576368 P\n0.752087 0.221434 0.065485 C\n0.252087 0.778566 0.934515 C\n0.446710 0.294524 0.323090 O\n0.761334 0.448423 0.118229 O\n0.277159 0.966859 0.828539 O\n0.777159 0.033141 0.171461 O\n0.561981 0.673432 0.670647 O\n0.768241 0.636639 0.420257 O\n0.946710 0.705476 0.676910 O\n0.261334 0.551577 0.881771 O\n0.061981 0.326568 0.329353 O\n0.239529 0.937305 0.464180 O\n0.713981 0.188113 0.926166 O\n0.213981 0.811887 0.073834 O\n0.739529 0.062695 0.535820 O\n0.268241 0.363361 0.579743 O\n",
"nsites": 22,
"nelements": 5,
"elements": [
"Li",
"Fe",
"P",
"C",
"O"
],
"chemical_system": "C-Fe-Li-O-P",
"density": 2.4969107836694935,
"density_atomic": 0.07595493846782188,
"volume": 289.6454192944972,
"volume_molar": 7.928570388548554,
"formula_full": "Li2 Fe2 P2 C2 O14",
"formula_reduced": "LiFePCO7",
"formula_anonymous": "ABCDE7",
"energy": -164.94558841,
"energy_per_atom": -7.497526745909091,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -150.81558841,
"band_gap": 1.8942,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.000176,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:04.979000Z",
"spacegroup": 4
}
]
}