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=nelements&page=11524",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=nelements&page=11522",
"results": [
{
"id": "mp-1522055",
"created_at": "2022-09-04T14:45:53.301215Z",
"structure_string": "Pr1 Eu1 Zr1 Mn1 O6\n1.0\n0.000000 -4.068332 -4.068332\n4.068332 0.000000 -4.068332\n4.068332 -4.068332 0.000000\nPr Eu Zr Mn O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Pr\n0.750000 0.750000 0.750000 Eu\n0.500000 0.500000 0.500000 Zr\n-0.000000 0.000000 -0.000000 Mn\n0.753906 0.246094 0.246094 O\n0.246094 0.753906 0.753906 O\n0.753906 0.246094 0.753906 O\n0.246094 0.753906 0.246094 O\n0.753906 0.753906 0.246094 O\n0.246094 0.246094 0.753906 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Pr",
"Eu",
"Zr",
"Mn",
"O"
],
"chemical_system": "Eu-Mn-O-Pr-Zr",
"density": 6.597025352919008,
"density_atomic": 0.07425416935900805,
"volume": 134.67257241342855,
"volume_molar": 8.110171875849597,
"formula_full": "Pr1 Eu1 Zr1 Mn1 O6",
"formula_reduced": "PrEuZrMnO6",
"formula_anonymous": "ABCDE6",
"energy": -93.46249156,
"energy_per_atom": -9.346249156,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -87.67249156,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 11.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:12.986000Z",
"spacegroup": 216
},
{
"id": "mp-1201331",
"created_at": "2022-09-04T14:45:58.691149Z",
"structure_string": "Si8 B8 H148 C48 N20\n1.0\n16.768793 0.000000 0.000000\n0.000000 12.465315 0.000000\n-2.888862 0.000000 12.636715\nSi B H C N\n8 8 148 48 20\ndirect\n0.378594 0.476985 0.714026 Si\n0.621406 0.976985 0.785974 Si\n0.621406 0.523015 0.285974 Si\n0.378594 0.023015 0.214026 Si\n0.184642 0.215906 0.663423 Si\n0.815357 0.715906 0.836577 Si\n0.815357 0.784094 0.336577 Si\n0.184642 0.284094 0.163423 Si\n0.209689 0.448749 0.702164 B\n0.790311 0.948749 0.797836 B\n0.790311 0.551251 0.297836 B\n0.209689 0.051251 0.202164 B\n0.265380 0.640404 0.720895 B\n0.734620 0.140404 0.779105 B\n0.734620 0.359596 0.279105 B\n0.265380 0.859596 0.220895 B\n0.251236 0.352542 0.595402 H\n0.748764 0.852542 0.904598 H\n0.748764 0.647458 0.404598 H\n0.251236 0.147458 0.095402 H\n0.112005 0.608258 0.527195 H\n0.887995 0.108258 0.972805 H\n0.887995 0.391742 0.472805 H\n0.112005 0.891742 0.027195 H\n0.172007 0.699498 0.470542 H\n0.827993 0.199498 0.029458 H\n0.827993 0.300502 0.529458 H\n0.172007 0.800502 0.970542 H\n0.214382 0.574172 0.522739 H\n0.785618 0.074172 0.977261 H\n0.785618 0.425828 0.477261 H\n0.214382 0.925828 0.022739 H\n0.169689 0.852435 0.597777 H\n0.830311 0.352435 0.902223 H\n0.830311 0.147565 0.402223 H\n0.169689 0.647565 0.097777 H\n0.093509 0.770054 0.632595 H\n0.906491 0.270054 0.867405 H\n0.906491 0.229946 0.367405 H\n0.093509 0.729946 0.132595 H\n0.177241 0.815011 0.732774 H\n0.822759 0.315011 0.767226 H\n0.822759 0.184989 0.267226 H\n0.177241 0.684989 0.232774 H\n0.104576 0.625045 0.793910 H\n0.895424 0.125045 0.706090 H\n0.895424 0.374955 0.206090 H\n0.104576 0.874955 0.293910 H\n0.103424 0.517267 0.883607 H\n0.896576 0.017267 0.616393 H\n0.896576 0.482733 0.116393 H\n0.103424 0.982733 0.383607 H\n0.198445 0.571046 0.868830 H\n0.801555 0.071046 0.631170 H\n0.801555 0.428954 0.131170 H\n0.198445 0.928954 0.368830 H\n0.249773 0.043162 0.629252 H\n0.750227 0.543162 0.870748 H\n0.750227 0.956838 0.370748 H\n0.249773 0.456838 0.129252 H\n0.267128 0.143467 0.540499 H\n0.732872 0.643467 0.959501 H\n0.732872 0.856533 0.459501 H\n0.267128 0.356533 0.040499 H\n0.326501 0.141396 0.672466 H\n0.673499 0.641396 0.827534 H\n0.673499 0.858604 0.327534 H\n0.326501 0.358604 0.172466 H\n0.301384 0.871001 0.844394 H\n0.698616 0.371001 0.655606 H\n0.698616 0.128999 0.155606 H\n0.301384 0.628999 0.344394 H\n0.397631 0.830558 0.821746 H\n0.602369 0.330558 0.678254 H\n0.602369 0.169442 0.178254 H\n0.397631 0.669442 0.321746 H\n0.312240 0.842551 0.712937 H\n0.687760 0.342551 0.787063 H\n0.687760 0.157449 0.287063 H\n0.312240 0.657449 0.212937 H\n0.078057 0.083771 0.586340 H\n0.921943 0.583771 0.913660 H\n0.921943 0.916229 0.413660 H\n0.078057 0.416229 0.086340 H\n0.029835 0.208558 0.596506 H\n0.970165 0.708558 0.903494 H\n0.970165 0.791442 0.403494 H\n0.029835 0.291442 0.096506 H\n0.082616 0.187138 0.493642 H\n0.917384 0.687138 0.006358 H\n0.917384 0.812862 0.506358 H\n0.082616 0.312862 0.993642 H\n0.447954 0.417452 0.575275 H\n0.552046 0.917452 0.924725 H\n0.552046 0.582548 0.424725 H\n0.447954 0.082548 0.075275 H\n0.369025 0.325168 0.579501 H\n0.630975 0.825168 0.920499 H\n0.630975 0.674832 0.420499 H\n0.369025 0.174832 0.079501 H\n0.345850 0.451708 0.515178 H\n0.654150 0.951708 0.984822 H\n0.654150 0.548292 0.484822 H\n0.345850 0.048292 0.015178 H\n0.034040 0.378771 0.752897 H\n0.965960 0.878771 0.747103 H\n0.965960 0.621229 0.247103 H\n0.034040 0.121229 0.252897 H\n0.013994 0.496236 0.673511 H\n0.986006 0.996236 0.826489 H\n0.986006 0.503764 0.326489 H\n0.013994 0.003764 0.173511 H\n0.060175 0.383195 0.626372 H\n0.939825 0.883195 0.873628 H\n0.939825 0.616805 0.373628 H\n0.060175 0.116805 0.126372 H\n0.466199 0.630836 0.802980 H\n0.533801 0.130836 0.697020 H\n0.533801 0.369164 0.197020 H\n0.466199 0.869164 0.302980 H\n0.512219 0.557566 0.714369 H\n0.487781 0.057566 0.785631 H\n0.487781 0.442434 0.285631 H\n0.512219 0.942434 0.214369 H\n0.434485 0.652299 0.664258 H\n0.565515 0.152299 0.835742 H\n0.565515 0.347701 0.335742 H\n0.434485 0.847701 0.164258 H\n0.477665 0.348079 0.819344 H\n0.522335 0.848079 0.680656 H\n0.522335 0.651921 0.180656 H\n0.477665 0.151921 0.319344 H\n0.422920 0.417202 0.901602 H\n0.577080 0.917202 0.598398 H\n0.577080 0.582798 0.098398 H\n0.422920 0.082798 0.401602 H\n0.376138 0.309239 0.820312 H\n0.623862 0.809239 0.679688 H\n0.623862 0.690761 0.179688 H\n0.376138 0.190761 0.320312 H\n0.412590 0.675232 0.934971 H\n0.587410 0.175232 0.565029 H\n0.587410 0.324768 0.065029 H\n0.412590 0.824768 0.434971 H\n0.319580 0.706640 0.972008 H\n0.680420 0.206640 0.527992 H\n0.680420 0.293360 0.027992 H\n0.319580 0.793360 0.472008 H\n0.332460 0.578357 0.916437 H\n0.667540 0.078357 0.583563 H\n0.667540 0.421643 0.083563 H\n0.332460 0.921643 0.416437 H\n0.133652 0.235337 0.831438 H\n0.866348 0.735337 0.668562 H\n0.866348 0.764663 0.168562 H\n0.133652 0.264663 0.331438 H\n0.169914 0.104312 0.814543 H\n0.830086 0.604312 0.685457 H\n0.830086 0.895688 0.185457 H\n0.169914 0.395688 0.314543 H\n0.240427 0.209749 0.859569 H\n0.759573 0.709749 0.640431 H\n0.759573 0.790251 0.140431 H\n0.240427 0.290251 0.359569 H\n0.174584 0.640483 0.534920 C\n0.825416 0.140483 0.965080 C\n0.825416 0.359517 0.465080 C\n0.174584 0.859517 0.034920 C\n0.159997 0.786537 0.650915 C\n0.840003 0.286537 0.849085 C\n0.840003 0.213463 0.349085 C\n0.159997 0.713463 0.150915 C\n0.136427 0.550425 0.825938 C\n0.863573 0.050425 0.674062 C\n0.863573 0.449575 0.174062 C\n0.136427 0.949575 0.325938 C\n0.264731 0.128597 0.623468 C\n0.735269 0.628597 0.876532 C\n0.735269 0.871403 0.376532 C\n0.264731 0.371403 0.123468 C\n0.330902 0.817417 0.795787 C\n0.669098 0.317417 0.704213 C\n0.669098 0.182583 0.204213 C\n0.330902 0.682583 0.295787 C\n0.084026 0.171106 0.577420 C\n0.915974 0.671106 0.922580 C\n0.915974 0.828894 0.422580 C\n0.084026 0.328894 0.077420 C\n0.384283 0.411032 0.583952 C\n0.615717 0.911032 0.916048 C\n0.615717 0.588968 0.416048 C\n0.384283 0.088968 0.083952 C\n0.058254 0.430109 0.697214 C\n0.941746 0.930109 0.802786 C\n0.941746 0.569891 0.302786 C\n0.058254 0.069891 0.197214 C\n0.453930 0.590942 0.725666 C\n0.546070 0.090942 0.774334 C\n0.546070 0.409058 0.274334 C\n0.453930 0.909058 0.225666 C\n0.417023 0.378704 0.823953 C\n0.582977 0.878704 0.676047 C\n0.582977 0.621296 0.176047 C\n0.417023 0.121296 0.323953 C\n0.345463 0.664214 0.911841 C\n0.654537 0.164214 0.588159 C\n0.654537 0.335786 0.088159 C\n0.345463 0.835786 0.411841 C\n0.181913 0.190203 0.805440 C\n0.818087 0.690203 0.694560 C\n0.818087 0.809797 0.194560 C\n0.181913 0.309797 0.305440 C\n0.279397 0.523396 0.716891 N\n0.720603 0.023396 0.783109 N\n0.720603 0.476604 0.283109 N\n0.279397 0.976604 0.216891 N\n0.205584 0.690474 0.637303 N\n0.794416 0.190474 0.862697 N\n0.794416 0.309526 0.362697 N\n0.205584 0.809526 0.137303 N\n0.138834 0.472551 0.743570 N\n0.861166 0.972551 0.756430 N\n0.861166 0.527449 0.256430 N\n0.138834 0.027449 0.243570 N\n0.211461 0.349003 0.644314 N\n0.788539 0.849003 0.855686 N\n0.788539 0.650997 0.355686 N\n0.211461 0.150997 0.144314 N\n0.311446 0.705077 0.806373 N\n0.688554 0.205077 0.693627 N\n0.688554 0.294923 0.193627 N\n0.311446 0.794923 0.306373 N\n",
"nsites": 232,
"nelements": 5,
"elements": [
"Si",
"B",
"H",
"C",
"N"
],
"chemical_system": "B-C-H-N-Si",
"density": 0.8279304949592635,
"density_atomic": 0.08783118308875906,
"volume": 2641.430888680494,
"volume_molar": 6.856495094588718,
"formula_full": "Si8 B8 H148 C48 N20",
"formula_reduced": "Si2B2H37C12N5",
"formula_anonymous": "A2B2C5D12E37",
"energy": -1275.39193213,
"energy_per_atom": -5.497379017801724,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1268.17193213,
"band_gap": 3.2505,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.086593,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:15.837000Z",
"spacegroup": 14
},
{
"id": "mp-777511",
"created_at": "2022-09-04T14:45:53.823963Z",
"structure_string": "Li8 Mn4 Fe4 B8 O24\n1.0\n-5.234063 0.000000 0.000000\n2.609051 4.553626 0.000000\n-0.250020 -0.591338 -20.798161\nLi Mn Fe B O\n8 4 4 8 24\ndirect\n0.020666 0.674058 0.333790 Li\n0.977655 0.654265 0.083120 Li\n0.023911 0.676818 0.833932 Li\n0.974223 0.651606 0.583497 Li\n0.016688 0.348854 0.207242 Li\n0.987738 0.336820 0.458252 Li\n0.014581 0.348668 0.708581 Li\n0.988106 0.339400 0.958653 Li\n0.665507 0.673436 0.440613 Mn\n0.324556 0.324236 0.068070 Mn\n0.321652 0.322420 0.567473 Mn\n0.675725 0.001408 0.816252 Mn\n0.651551 0.663124 0.941320 Fe\n0.684154 0.007266 0.315212 Fe\n0.329022 0.997990 0.192624 Fe\n0.327510 0.995604 0.692524 Fe\n0.658578 0.996429 0.063270 B\n0.654918 0.995522 0.563647 B\n0.668520 0.671681 0.188953 B\n0.663096 0.669807 0.688324 B\n0.337996 0.336554 0.311922 B\n0.342934 0.339774 0.812668 B\n0.338013 0.006463 0.436791 B\n0.338481 0.004102 0.938089 B\n0.683497 0.936370 0.207575 O\n0.681493 0.935121 0.707834 O\n0.679817 0.745854 0.048091 O\n0.390478 0.966909 0.083721 O\n0.676506 0.745245 0.547983 O\n0.386663 0.964363 0.584339 O\n0.397659 0.421245 0.174875 O\n0.088708 0.731823 0.429954 O\n0.391686 0.420803 0.674067 O\n0.082670 0.734842 0.931331 O\n0.923165 0.653187 0.181995 O\n0.918945 0.652677 0.681908 O\n0.085951 0.359759 0.305537 O\n0.095753 0.368946 0.806239 O\n0.904594 0.272164 0.056441 O\n0.603044 0.582207 0.330703 O\n0.900284 0.270884 0.556446 O\n0.611598 0.576512 0.833093 O\n0.613967 0.039383 0.420958 O\n0.614340 0.030983 0.923786 O\n0.316790 0.249282 0.458548 O\n0.324077 0.253246 0.957953 O\n0.322090 0.065961 0.298289 O\n0.320438 0.067129 0.797311 O\n",
"nsites": 48,
"nelements": 5,
"elements": [
"Li",
"Mn",
"Fe",
"B",
"O"
],
"chemical_system": "B-Fe-Li-Mn-O",
"density": 3.246471460460089,
"density_atomic": 0.09683224430775153,
"volume": 495.7026488764089,
"volume_molar": 6.219148180497062,
"formula_full": "Li8 Mn4 Fe4 B8 O24",
"formula_reduced": "Li2MnFe(BO3)2",
"formula_anonymous": "ABC2D2E6",
"energy": -374.40063173,
"energy_per_atom": -7.800013161041666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -342.21663173,
"band_gap": 3.0795000000000003,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 36.0000001,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:14.492000Z",
"spacegroup": 1
},
{
"id": "mp-571248",
"created_at": "2022-09-04T14:45:56.279499Z",
"structure_string": "Cs4 Na2 Au6 C12 N12\n1.0\n3.653854 -6.328661 0.000000\n3.653854 6.328661 0.000000\n0.000000 0.000000 18.418461\nCs Na Au C N\n4 2 6 12 12\ndirect\n0.666667 0.333333 0.445460 Cs\n0.333333 0.666667 0.554540 Cs\n0.666667 0.333333 0.054540 Cs\n0.333333 0.666667 0.945460 Cs\n0.000000 0.000000 0.500000 Na\n0.000000 0.000000 0.000000 Na\n0.651694 0.825847 0.250000 Au\n0.825847 0.174153 0.750000 Au\n0.174153 0.825847 0.250000 Au\n0.825847 0.651694 0.750000 Au\n0.174153 0.348306 0.250000 Au\n0.348306 0.174153 0.750000 Au\n0.830258 0.660516 0.641945 C\n0.339484 0.169742 0.858055 C\n0.830258 0.169742 0.641945 C\n0.169742 0.830258 0.141945 C\n0.169742 0.339484 0.358055 C\n0.660516 0.830258 0.358055 C\n0.169742 0.339484 0.141945 C\n0.169742 0.830258 0.358055 C\n0.830258 0.169742 0.858055 C\n0.339484 0.169742 0.641945 C\n0.830258 0.660516 0.858055 C\n0.660516 0.830258 0.141945 C\n0.836530 0.673061 0.578359 N\n0.163470 0.326939 0.078359 N\n0.326939 0.163470 0.578359 N\n0.836530 0.163470 0.921641 N\n0.673061 0.836530 0.421641 N\n0.836530 0.163470 0.578359 N\n0.326939 0.163470 0.921641 N\n0.163470 0.836530 0.421641 N\n0.673061 0.836530 0.078359 N\n0.163470 0.326939 0.421641 N\n0.163470 0.836530 0.078359 N\n0.836530 0.673061 0.921641 N\n",
"nsites": 36,
"nelements": 5,
"elements": [
"Cs",
"Na",
"Au",
"C",
"N"
],
"chemical_system": "Au-C-Cs-N-Na",
"density": 4.038412213361011,
"density_atomic": 0.042262593385715655,
"volume": 851.8171062395724,
"volume_molar": 14.249340320973833,
"formula_full": "Cs4 Na2 Au6 C12 N12",
"formula_reduced": "Cs2NaAu3(CN)6",
"formula_anonymous": "AB2C3D6E6",
"energy": -243.74461879,
"energy_per_atom": -6.7706838552777775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -239.41261879,
"band_gap": 2.5885,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0914762,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:09.652000Z",
"spacegroup": 194
},
{
"id": "mp-1518480",
"created_at": "2022-09-04T14:45:42.806679Z",
"structure_string": "Ca1 La1 Cr1 Bi1 O6\n1.0\n0.000000 -4.128089 -4.128089\n4.128089 0.000000 -4.128089\n4.128089 -4.128089 -0.000000\nCa La Cr Bi O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ca\n0.750000 0.750000 0.750000 La\n0.500000 0.500000 0.500000 Cr\n0.000000 0.000000 0.000000 Bi\n0.739184 0.260816 0.260816 O\n0.260816 0.739184 0.739184 O\n0.739184 0.260816 0.739184 O\n0.260816 0.739184 0.260816 O\n0.739184 0.739184 0.260816 O\n0.260816 0.260816 0.739184 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ca",
"La",
"Cr",
"Bi",
"O"
],
"chemical_system": "Bi-Ca-Cr-La-O",
"density": 6.325595006979393,
"density_atomic": 0.07107597869570509,
"volume": 140.69451006524474,
"volume_molar": 8.472821437721406,
"formula_full": "Ca1 La1 Cr1 Bi1 O6",
"formula_reduced": "CaLaCrBiO6",
"formula_anonymous": "ABCDE6",
"energy": -74.31215906,
"energy_per_atom": -7.431215906,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -68.19115906,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.8502351,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:15.081000Z",
"spacegroup": 216
},
{
"id": "mp-1222629",
"created_at": "2022-09-04T14:41:35.331386Z",
"structure_string": "Li4 Sc1 Fe3 Si8 O24\n1.0\n8.854309 0.000000 0.000000\n0.000000 5.374537 0.000000\n0.000000 1.937664 9.234908\nLi Sc Fe Si O\n4 1 3 8 24\ndirect\n0.758805 0.500000 0.500000 Li\n0.257145 0.000000 0.000000 Li\n0.241478 0.000000 0.500000 Li\n0.743041 0.500000 0.000000 Li\n0.397970 0.500000 0.500000 Sc\n0.897028 0.000000 0.000000 Fe\n0.605327 0.000000 0.500000 Fe\n0.103057 0.500000 0.000000 Fe\n0.086281 0.722014 0.294159 Si\n0.590108 0.218515 0.797394 Si\n0.086281 0.277986 0.705841 Si\n0.590108 0.781485 0.202606 Si\n0.910587 0.779317 0.704372 Si\n0.411387 0.278248 0.202450 Si\n0.910587 0.220683 0.295628 Si\n0.411387 0.721752 0.797550 Si\n0.252279 0.715005 0.365643 O\n0.755756 0.210430 0.870142 O\n0.252279 0.284995 0.634357 O\n0.755756 0.789570 0.129858 O\n0.744821 0.788254 0.630849 O\n0.244947 0.290155 0.130285 O\n0.744821 0.211746 0.369151 O\n0.244947 0.709845 0.869715 O\n0.999035 0.450312 0.353753 O\n0.499882 0.949894 0.856490 O\n0.999035 0.549688 0.646247 O\n0.499882 0.050106 0.143510 O\n0.998760 0.049839 0.645934 O\n0.500647 0.549920 0.146650 O\n0.998760 0.950161 0.354066 O\n0.500647 0.450080 0.853350 O\n0.082970 0.782900 0.114988 O\n0.588746 0.277963 0.618206 O\n0.082970 0.217100 0.885012 O\n0.588746 0.722037 0.381794 O\n0.915532 0.717471 0.883630 O\n0.416337 0.208574 0.381341 O\n0.915532 0.282529 0.116370 O\n0.416337 0.791426 0.618659 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"Li",
"Sc",
"Fe",
"Si",
"O"
],
"chemical_system": "Fe-Li-O-Sc-Si",
"density": 3.207671361900295,
"density_atomic": 0.09101892187964077,
"volume": 439.46905955328896,
"volume_molar": 6.616361340736822,
"formula_full": "Li4 Sc1 Fe3 Si8 O24",
"formula_reduced": "Li4ScFe3(SiO3)8",
"formula_anonymous": "AB3C4D8E24",
"energy": -317.63882444,
"energy_per_atom": -7.940970611,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -294.38282444,
"band_gap": 2.8003,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 14.9674807,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:25.519000Z",
"spacegroup": 3
},
{
"id": "mp-1218811",
"created_at": "2022-09-04T14:41:29.369754Z",
"structure_string": "Sr2 Ho1 Cu2 Ru1 O8\n1.0\n2.710568 -2.714378 0.000000\n2.710568 2.714378 0.000000\n0.000000 0.000000 11.869725\nSr Ho Cu Ru O\n2 1 2 1 8\ndirect\n0.504990 0.495010 0.694107 Sr\n0.504990 0.495010 0.305893 Sr\n0.500610 0.499390 0.000000 Ho\n0.001182 0.998818 0.858491 Cu\n0.001182 0.998818 0.141509 Cu\n0.013534 0.986466 0.500000 Ru\n0.999891 0.498430 0.878879 O\n0.501570 0.000109 0.878879 O\n0.999891 0.498430 0.121121 O\n0.501570 0.000109 0.121121 O\n0.015109 0.984891 0.672442 O\n0.015109 0.984891 0.327558 O\n0.014723 0.486156 0.500000 O\n0.513844 0.985277 0.500000 O\n",
"nsites": 14,
"nelements": 5,
"elements": [
"Sr",
"Ho",
"Cu",
"Ru",
"O"
],
"chemical_system": "Cu-Ho-O-Ru-Sr",
"density": 6.620051537945952,
"density_atomic": 0.08015428587288781,
"volume": 174.6631492943723,
"volume_molar": 7.513186218825747,
"formula_full": "Sr2 Ho1 Cu2 Ru1 O8",
"formula_reduced": "Sr2HoCu2RuO8",
"formula_anonymous": "ABC2D2E8",
"energy": -96.69511425,
"energy_per_atom": -6.906793875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -91.19911425,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0144784,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:20.449000Z",
"spacegroup": 38
},
{
"id": "mp-1044564",
"created_at": "2022-09-04T14:41:30.904218Z",
"structure_string": "Al4 Si2 Ni13 Sb2 O28\n1.0\n11.305326 2.718641 0.000000\n-11.305326 2.718641 0.000000\n0.000000 1.635103 8.638170\nAl Si Ni Sb O\n4 2 13 2 28\ndirect\n0.509584 0.938986 0.327681 Al\n0.061014 0.490416 0.672319 Al\n0.490416 0.061014 0.672319 Al\n0.938986 0.509584 0.327681 Al\n0.763164 0.763164 0.689886 Si\n0.236836 0.236836 0.310114 Si\n0.360009 0.072346 0.359137 Ni\n0.207434 0.346064 0.647665 Ni\n0.927654 0.639991 0.640863 Ni\n0.639991 0.927654 0.640863 Ni\n0.792566 0.653936 0.352335 Ni\n0.287253 0.712747 0.000000 Ni\n0.653936 0.792566 0.352335 Ni\n0.000000 0.000000 0.000000 Ni\n0.427979 0.572021 0.000000 Ni\n0.346064 0.207434 0.647665 Ni\n0.072346 0.360009 0.359137 Ni\n0.572021 0.427979 0.000000 Ni\n0.712747 0.287253 0.000000 Ni\n0.859762 0.140238 0.000000 Sb\n0.140238 0.859762 0.000000 Sb\n0.017185 0.315004 0.600422 O\n0.382207 0.827359 0.634608 O\n0.066059 0.066059 0.644582 O\n0.689598 0.689598 0.879679 O\n0.617793 0.172641 0.365392 O\n0.982815 0.684996 0.399578 O\n0.406593 0.986806 0.882435 O\n0.593407 0.013194 0.117565 O\n0.310402 0.310402 0.120321 O\n0.725873 0.874683 0.118583 O\n0.592065 0.712327 0.616504 O\n0.684996 0.982815 0.399578 O\n0.013194 0.593407 0.117565 O\n0.125317 0.274127 0.881417 O\n0.287673 0.407935 0.383496 O\n0.933941 0.933941 0.355418 O\n0.874683 0.725873 0.118583 O\n0.274127 0.125317 0.881417 O\n0.986806 0.406593 0.882435 O\n0.577032 0.864111 0.877652 O\n0.422968 0.135889 0.122348 O\n0.712327 0.592065 0.616504 O\n0.864111 0.577032 0.877652 O\n0.827359 0.382207 0.634608 O\n0.407935 0.287673 0.383496 O\n0.135889 0.422968 0.122348 O\n0.315004 0.017185 0.600422 O\n0.172641 0.617793 0.365392 O\n",
"nsites": 49,
"nelements": 5,
"elements": [
"Al",
"Si",
"Ni",
"Sb",
"O"
],
"chemical_system": "Al-Ni-O-Sb-Si",
"density": 5.0618100511984485,
"density_atomic": 0.09228038233451778,
"volume": 530.9904311229906,
"volume_molar": 6.525916568236192,
"formula_full": "Al4 Si2 Ni13 Sb2 O28",
"formula_reduced": "Al4Si2Ni13(SbO14)2",
"formula_anonymous": "A2B2C4D13E28",
"energy": -346.72763277,
"energy_per_atom": -7.076074138163266,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -294.45863277,
"band_gap": 2.3477,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 25.9998931,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:21.782000Z",
"spacegroup": 12
},
{
"id": "mp-771706",
"created_at": "2022-09-04T14:41:36.897910Z",
"structure_string": "Li4 Mn2 B2 P2 O14\n1.0\n6.219935 0.000000 0.000000\n0.000000 5.096338 0.000000\n0.000000 0.471638 8.634766\nLi Mn B P O\n4 2 2 2 14\ndirect\n0.484215 0.766933 0.796028 Li\n0.015785 0.766933 0.796028 Li\n0.515785 0.233067 0.203972 Li\n0.984215 0.233067 0.203972 Li\n0.250000 0.215037 0.664785 Mn\n0.750000 0.784963 0.335215 Mn\n0.250000 0.266033 0.940523 B\n0.750000 0.733967 0.059477 B\n0.750000 0.280640 0.570446 P\n0.250000 0.719360 0.429554 P\n0.750000 0.707096 0.908444 O\n0.250000 0.026821 0.865160 O\n0.250000 0.470435 0.821819 O\n0.942873 0.194726 0.673660 O\n0.557127 0.194726 0.673660 O\n0.250000 0.854700 0.585074 O\n0.750000 0.582022 0.534029 O\n0.250000 0.417978 0.465971 O\n0.750000 0.145300 0.414926 O\n0.442873 0.805274 0.326340 O\n0.057127 0.805274 0.326340 O\n0.750000 0.529565 0.178181 O\n0.750000 0.973179 0.134840 O\n0.250000 0.292904 0.091556 O\n",
"nsites": 24,
"nelements": 5,
"elements": [
"Li",
"Mn",
"B",
"P",
"O"
],
"chemical_system": "B-Li-Mn-O-P",
"density": 2.700914241010692,
"density_atomic": 0.08768324200845987,
"volume": 273.71250709097217,
"volume_molar": 6.868063522809718,
"formula_full": "Li4 Mn2 B2 P2 O14",
"formula_reduced": "Li2MnBPO7",
"formula_anonymous": "ABCD2E7",
"energy": -178.43263483,
"energy_per_atom": -7.434693117916667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -165.47863483,
"band_gap": 0.4947,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.0016172,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:28.658000Z",
"spacegroup": 11
},
{
"id": "mp-698468",
"created_at": "2022-09-04T14:41:45.301536Z",
"structure_string": "Cd4 H36 C8 N16 O40\n1.0\n7.578964 0.000000 0.000000\n0.000000 8.347296 0.000000\n0.000000 0.000000 17.888101\nCd H C N O\n4 36 8 16 40\ndirect\n0.249878 0.755911 0.754540 Cd\n0.250122 0.244089 0.254540 Cd\n0.749878 0.744089 0.245460 Cd\n0.750122 0.255911 0.745460 Cd\n0.974565 0.025082 0.992329 H\n0.525435 0.974918 0.492329 H\n0.474565 0.474918 0.007671 H\n0.025435 0.525082 0.507671 H\n0.031267 0.167315 0.923916 H\n0.468733 0.832685 0.423916 H\n0.531267 0.332685 0.076084 H\n0.968733 0.667315 0.576084 H\n0.441209 0.332669 0.566394 H\n0.058791 0.667331 0.066394 H\n0.941209 0.167331 0.433606 H\n0.558791 0.832669 0.933606 H\n0.520786 0.485414 0.506715 H\n0.979214 0.514586 0.006715 H\n0.020786 0.014586 0.493285 H\n0.479214 0.985414 0.993285 H\n0.898946 0.836403 0.702571 H\n0.601054 0.163597 0.202571 H\n0.398946 0.663597 0.297429 H\n0.101054 0.336403 0.797429 H\n0.901194 0.644635 0.707537 H\n0.598806 0.355365 0.207537 H\n0.401194 0.855365 0.292463 H\n0.098806 0.144635 0.792463 H\n0.610458 0.664546 0.791237 H\n0.889542 0.335454 0.291237 H\n0.110458 0.835454 0.208763 H\n0.389542 0.164546 0.708763 H\n0.609991 0.853871 0.787458 H\n0.890009 0.146129 0.287458 H\n0.109991 0.646129 0.212542 H\n0.390009 0.353871 0.712542 H\n0.088093 0.815843 0.923356 H\n0.411907 0.184157 0.423356 H\n0.588093 0.684157 0.076644 H\n0.911907 0.315843 0.576644 H\n0.092672 0.936422 0.898882 C\n0.407328 0.063578 0.398882 C\n0.592672 0.563578 0.101118 C\n0.907328 0.436422 0.601118 C\n0.398458 0.561636 0.600919 C\n0.101542 0.438364 0.100919 C\n0.898458 0.938364 0.399081 C\n0.601542 0.061636 0.899081 C\n0.028604 0.051189 0.941353 N\n0.471396 0.948811 0.441353 N\n0.528604 0.448811 0.058647 N\n0.971396 0.551189 0.558647 N\n0.451904 0.452257 0.553608 N\n0.048096 0.547743 0.053608 N\n0.951904 0.047743 0.446392 N\n0.548096 0.952257 0.946392 N\n0.216307 0.005289 0.611825 N\n0.283693 0.994711 0.111825 N\n0.716307 0.494711 0.388175 N\n0.783693 0.505289 0.888175 N\n0.284606 0.499888 0.888157 N\n0.215394 0.500112 0.388157 N\n0.784606 0.000112 0.111843 N\n0.715394 0.999888 0.611843 N\n0.156562 0.960627 0.834183 O\n0.343438 0.039373 0.334183 O\n0.656562 0.539373 0.165817 O\n0.843438 0.460627 0.665817 O\n0.331623 0.548236 0.663618 O\n0.168377 0.451764 0.163618 O\n0.831623 0.951764 0.336382 O\n0.668377 0.048236 0.836382 O\n0.295428 0.985168 0.675766 O\n0.204572 0.014832 0.175766 O\n0.795428 0.514832 0.324234 O\n0.704572 0.485168 0.824234 O\n0.221410 0.141102 0.581973 O\n0.278590 0.858898 0.081973 O\n0.721410 0.358898 0.418027 O\n0.778590 0.641102 0.918027 O\n0.137590 0.889644 0.581881 O\n0.362410 0.110356 0.081881 O\n0.637590 0.610356 0.418119 O\n0.862410 0.389644 0.918119 O\n0.194410 0.522552 0.826593 O\n0.305590 0.477448 0.326593 O\n0.694410 0.977448 0.173407 O\n0.805590 0.022552 0.673407 O\n0.357508 0.618695 0.918450 O\n0.142492 0.381305 0.418450 O\n0.857508 0.881305 0.081550 O\n0.642492 0.118695 0.581550 O\n0.292992 0.362228 0.914813 O\n0.207008 0.637772 0.414813 O\n0.792992 0.137772 0.085187 O\n0.707008 0.862228 0.585187 O\n0.955591 0.743485 0.727864 O\n0.544409 0.256515 0.227864 O\n0.455591 0.756515 0.272136 O\n0.044409 0.243485 0.772136 O\n0.551252 0.757999 0.767214 O\n0.948748 0.242001 0.267214 O\n0.051252 0.742001 0.232786 O\n0.448748 0.257999 0.732786 O\n",
"nsites": 104,
"nelements": 5,
"elements": [
"Cd",
"H",
"C",
"N",
"O"
],
"chemical_system": "C-Cd-H-N-O",
"density": 2.121910776872337,
"density_atomic": 0.09189956224713831,
"volume": 1131.6702436549253,
"volume_molar": 6.552959135762939,
"formula_full": "Cd4 H36 C8 N16 O40",
"formula_reduced": "CdH9C2(N2O5)2",
"formula_anonymous": "AB2C4D9E10",
"energy": -620.2992191000001,
"energy_per_atom": -5.9644155682692315,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -592.8192191,
"band_gap": 1.7621,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9989122,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:25.843000Z",
"spacegroup": 19
},
{
"id": "mp-766616",
"created_at": "2022-09-04T14:41:47.455105Z",
"structure_string": "Li12 Mn4 P4 C4 O28\n1.0\n6.478585 0.000000 0.000000\n0.000000 9.567190 0.000000\n0.000000 4.360905 8.822091\nLi Mn P C O\n12 4 4 4 28\ndirect\n0.249232 0.102733 0.562296 Li\n0.250768 0.102733 0.062296 Li\n0.487765 0.286246 0.739953 Li\n0.012235 0.286246 0.239953 Li\n0.745660 0.352832 0.933995 Li\n0.754340 0.352832 0.433995 Li\n0.245660 0.647168 0.566005 Li\n0.254340 0.647168 0.066005 Li\n0.987765 0.713754 0.760047 Li\n0.512235 0.713754 0.260047 Li\n0.749232 0.897267 0.937704 Li\n0.750768 0.897267 0.437704 Li\n0.001827 0.268733 0.735797 Mn\n0.498173 0.268733 0.235797 Mn\n0.501827 0.731267 0.764203 Mn\n0.998173 0.731267 0.264203 Mn\n0.247806 0.407471 0.936359 P\n0.252194 0.407471 0.436359 P\n0.747806 0.592529 0.563641 P\n0.752194 0.592529 0.063641 P\n0.752237 0.041630 0.626691 C\n0.747763 0.041630 0.126691 C\n0.252237 0.958370 0.873309 C\n0.247763 0.958370 0.373309 C\n0.760019 0.069649 0.987601 O\n0.739981 0.069649 0.487601 O\n0.250352 0.104125 0.765354 O\n0.764933 0.152907 0.668057 O\n0.249648 0.104125 0.265354 O\n0.735067 0.152907 0.168057 O\n0.056493 0.310444 0.932197 O\n0.437202 0.309669 0.934056 O\n0.062798 0.309669 0.434056 O\n0.443507 0.310444 0.432197 O\n0.744410 0.425805 0.696864 O\n0.249736 0.422646 0.588413 O\n0.755590 0.425805 0.196864 O\n0.250264 0.422646 0.088413 O\n0.749736 0.577354 0.911587 O\n0.244410 0.574195 0.803136 O\n0.750264 0.577354 0.411587 O\n0.255590 0.574195 0.303136 O\n0.937202 0.690331 0.565944 O\n0.556493 0.689556 0.567803 O\n0.943507 0.689556 0.067803 O\n0.562798 0.690331 0.065944 O\n0.264933 0.847093 0.831943 O\n0.750352 0.895875 0.734646 O\n0.235067 0.847093 0.331943 O\n0.749648 0.895875 0.234646 O\n0.260019 0.930351 0.512399 O\n0.239981 0.930351 0.012399 O\n",
"nsites": 52,
"nelements": 5,
"elements": [
"Li",
"Mn",
"P",
"C",
"O"
],
"chemical_system": "C-Li-Mn-O-P",
"density": 2.802840238782836,
"density_atomic": 0.0950970949776578,
"volume": 546.8095530385752,
"volume_molar": 6.332623264059588,
"formula_full": "Li12 Mn4 P4 C4 O28",
"formula_reduced": "Li3MnPCO7",
"formula_anonymous": "ABCD3E7",
"energy": -381.74952564,
"energy_per_atom": -7.341337031538462,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -355.84152564,
"band_gap": 4.1018,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 20.0012109,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:23.722000Z",
"spacegroup": 14
},
{
"id": "mp-1076866",
"created_at": "2022-09-04T14:41:31.091272Z",
"structure_string": "La28 Sm4 Co24 Ag8 O80\n1.0\n-0.013073 -0.004850 10.787673\n11.439087 -0.004577 -0.012392\n-5.719516 16.275081 -5.394134\nLa Sm Co Ag O\n28 4 24 8 80\ndirect\n0.306000 0.064422 0.112829 La\n0.310441 0.061847 0.613181 La\n0.310744 0.561785 0.613279 La\n0.806948 0.062457 0.611124 La\n0.809001 0.564930 0.111658 La\n0.811529 0.564555 0.613402 La\n0.197986 0.434019 0.386789 La\n0.195250 0.435249 0.887661 La\n0.196105 0.935416 0.385267 La\n0.195813 0.936407 0.887606 La\n0.699573 0.435382 0.388366 La\n0.698143 0.934594 0.385781 La\n0.695656 0.936947 0.887817 La\n0.061910 0.299210 0.114300 La\n0.059336 0.297387 0.611991 La\n0.058359 0.798335 0.612858 La\n0.559960 0.297628 0.112929 La\n0.561105 0.301308 0.615887 La\n0.559548 0.798649 0.113053 La\n0.558367 0.798350 0.612128 La\n0.448092 0.203235 0.389055 La\n0.448203 0.199958 0.886922 La\n0.444422 0.701490 0.383265 La\n0.447609 0.697216 0.886725 La\n0.946354 0.201397 0.384990 La\n0.943757 0.200978 0.888266 La\n0.945583 0.702797 0.387142 La\n0.946979 0.700457 0.886581 La\n0.306275 0.568814 0.109788 Sm\n0.808589 0.068375 0.111575 Sm\n0.695768 0.436160 0.891396 Sm\n0.060938 0.794447 0.109603 Sm\n0.007423 0.000826 0.002927 Co\n0.007691 0.000635 0.501198 Co\n0.008511 0.501188 0.003892 Co\n0.005049 0.498068 0.494844 Co\n0.509698 0.001897 0.005175 Co\n0.503516 0.997296 0.494144 Co\n0.509170 0.501720 0.004431 Co\n0.506540 0.500165 0.497862 Co\n0.256492 0.250945 0.999533 Co\n0.255370 0.247012 0.496564 Co\n0.259868 0.753877 0.005561 Co\n0.254546 0.747282 0.495708 Co\n0.760092 0.253360 0.006144 Co\n0.754672 0.247124 0.496331 Co\n0.760899 0.752957 0.003360 Co\n0.755579 0.749389 0.498333 Co\n0.106513 0.094558 0.247380 Co\n0.108570 0.099584 0.750171 Co\n0.103738 0.597173 0.248275 Co\n0.604023 0.096189 0.249692 Co\n0.607500 0.596904 0.248377 Co\n0.359599 0.903780 0.248417 Co\n0.862418 0.404290 0.249475 Co\n0.867491 0.900445 0.750508 Co\n0.127524 0.617140 0.750274 Ag\n0.621609 0.121573 0.750413 Ag\n0.624801 0.615388 0.751211 Ag\n0.370573 0.385519 0.249394 Ag\n0.377597 0.378042 0.750887 Ag\n0.368316 0.880223 0.750710 Ag\n0.872819 0.383185 0.750370 Ag\n0.870439 0.885507 0.248543 Ag\n0.123286 0.119437 0.482252 O\n0.118926 0.116327 0.982909 O\n0.120397 0.616842 0.475767 O\n0.123155 0.623338 0.993112 O\n0.621271 0.114926 0.476440 O\n0.625133 0.120686 0.991678 O\n0.623925 0.622093 0.481521 O\n0.624025 0.615642 0.986518 O\n0.143829 0.390839 0.023957 O\n0.135314 0.373577 0.507902 O\n0.137022 0.884194 0.020646 O\n0.139920 0.877841 0.517179 O\n0.641116 0.386548 0.022159 O\n0.639378 0.376554 0.515073 O\n0.646355 0.892769 0.028013 O\n0.635678 0.874696 0.510192 O\n0.367675 0.114232 0.477250 O\n0.373370 0.111299 0.982460 O\n0.367732 0.614873 0.474979 O\n0.375622 0.615882 0.992861 O\n0.869935 0.115001 0.479393 O\n0.873740 0.113886 0.990804 O\n0.870144 0.619125 0.482224 O\n0.871158 0.606428 0.981243 O\n0.389796 0.391654 0.020020 O\n0.384846 0.379184 0.512252 O\n0.394107 0.891373 0.024266 O\n0.382803 0.879751 0.509013 O\n0.894304 0.389481 0.022710 O\n0.883029 0.380476 0.509571 O\n0.895471 0.892969 0.025093 O\n0.885645 0.881534 0.515933 O\n0.091237 0.109632 0.139190 O\n0.079551 0.100833 0.634866 O\n0.093694 0.612349 0.141037 O\n0.077284 0.596398 0.619753 O\n0.596214 0.111403 0.143171 O\n0.578310 0.096461 0.620019 O\n0.589989 0.607561 0.138981 O\n0.573637 0.596303 0.619405 O\n0.458406 0.401970 0.376289 O\n0.463562 0.402732 0.879842 O\n0.442504 0.897085 0.360679 O\n0.463598 0.896736 0.878654 O\n0.942275 0.397435 0.362116 O\n0.960409 0.397254 0.878973 O\n0.957073 0.900377 0.375964 O\n0.950000 0.896367 0.865056 O\n0.332779 0.270960 0.123643 O\n0.327477 0.272520 0.621571 O\n0.330475 0.783291 0.136922 O\n0.335280 0.770312 0.622311 O\n0.834955 0.282896 0.138436 O\n0.827192 0.269543 0.621346 O\n0.843202 0.771799 0.123205 O\n0.837776 0.782190 0.636450 O\n0.196396 0.213877 0.358553 O\n0.196201 0.217411 0.865023 O\n0.194920 0.720135 0.356889 O\n0.206641 0.727066 0.880814 O\n0.695121 0.217627 0.359295 O\n0.708800 0.229738 0.880523 O\n0.699209 0.717114 0.359183 O\n0.705958 0.730965 0.882683 O\n0.414892 0.073270 0.250102 O\n0.389080 0.092269 0.750334 O\n0.418571 0.592723 0.244020 O\n0.393482 0.592518 0.750060 O\n0.918799 0.092907 0.245767 O\n0.916826 0.074248 0.749995 O\n0.915277 0.573344 0.249484 O\n0.889900 0.595783 0.750016 O\n0.140648 0.428754 0.250586 O\n0.142110 0.401594 0.749981 O\n0.166823 0.924906 0.243409 O\n0.136793 0.927948 0.750499 O\n0.673035 0.431143 0.250605 O\n0.644025 0.405514 0.755867 O\n0.640902 0.926883 0.249701 O\n0.679615 0.906957 0.750023 O\n",
"nsites": 144,
"nelements": 5,
"elements": [
"La",
"Sm",
"Co",
"Ag",
"O"
],
"chemical_system": "Ag-Co-La-O-Sm",
"density": 6.656194476719021,
"density_atomic": 0.07172106185909921,
"volume": 2007.7784163722724,
"volume_molar": 8.39661405436369,
"formula_full": "La28 Sm4 Co24 Ag8 O80",
"formula_reduced": "La7SmCo6(AgO10)2",
"formula_anonymous": "AB2C6D7E20",
"energy": -1113.97054767,
"energy_per_atom": -7.735906581041667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1019.6985476700002,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 66.0197677,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:23.249000Z",
"spacegroup": 1
}
]
}