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=-total_magnetization&page=98",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-total_magnetization&page=96",
"results": [
{
"id": "mp-1213330",
"created_at": "2022-09-04T14:47:14.650807Z",
"structure_string": "Eu8 Al2\n1.0\n0.000000 6.103600 6.103600\n6.103600 0.000000 6.103600\n6.103600 6.103600 0.000000\nEu Al\n8 2\ndirect\n0.391248 0.391248 0.391248 Eu\n0.391248 0.391248 0.826255 Eu\n0.391248 0.826255 0.391248 Eu\n0.858752 0.858752 0.423745 Eu\n0.858752 0.858752 0.858752 Eu\n0.826255 0.391248 0.391248 Eu\n0.858752 0.423745 0.858752 Eu\n0.423745 0.858752 0.858752 Eu\n0.000000 0.000000 0.000000 Al\n0.250000 0.250000 0.250000 Al\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Eu",
"Al"
],
"chemical_system": "Al-Eu",
"density": 4.636107563023722,
"density_atomic": 0.02198932060180927,
"volume": 454.766210429312,
"volume_molar": 27.38666132097097,
"formula_full": "Eu8 Al2",
"formula_reduced": "Eu4Al",
"formula_anonymous": "AB4",
"energy": -86.58280755999999,
"energy_per_atom": -8.658280756,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -86.58280755999999,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 62.1613305,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:01.321000Z",
"spacegroup": 227
},
{
"id": "mp-1094147",
"created_at": "2022-09-04T14:40:22.816505Z",
"structure_string": "Na8 Mn18 O36\n1.0\n2.920200 0.000000 0.000000\n0.000000 9.223625 0.000000\n0.000000 0.000000 26.525224\nNa Mn O\n8 18 36\ndirect\n0.000000 0.469215 0.297423 Na\n0.000000 0.033726 0.706025 Na\n0.000000 0.966274 0.206025 Na\n0.000000 0.530785 0.797423 Na\n0.500000 0.464076 0.079116 Na\n0.500000 0.535924 0.579116 Na\n0.000000 0.123078 0.497667 Na\n0.000000 0.876922 0.997667 Na\n0.000000 0.287717 0.195494 Mn\n0.000000 0.207535 0.808428 Mn\n0.000000 0.792465 0.308428 Mn\n0.000000 0.712283 0.695494 Mn\n0.500000 0.606719 0.413326 Mn\n0.500000 0.887312 0.588497 Mn\n0.500000 0.112688 0.088497 Mn\n0.500000 0.393281 0.913326 Mn\n0.000000 0.242665 0.998722 Mn\n0.000000 0.757335 0.498722 Mn\n0.500000 0.615307 0.193190 Mn\n0.500000 0.883276 0.807902 Mn\n0.500000 0.116724 0.307902 Mn\n0.500000 0.384693 0.693190 Mn\n0.000000 0.268541 0.390415 Mn\n0.000000 0.227862 0.610717 Mn\n0.000000 0.772138 0.110717 Mn\n0.000000 0.731459 0.890415 Mn\n0.500000 0.619831 0.496826 O\n0.500000 0.897165 0.505437 O\n0.500000 0.102835 0.005437 O\n0.500000 0.380169 0.996826 O\n0.000000 0.473200 0.402922 O\n0.000000 0.025493 0.593447 O\n0.000000 0.974507 0.093447 O\n0.000000 0.526800 0.902922 O\n0.500000 0.304722 0.340329 O\n0.500000 0.194291 0.660507 O\n0.500000 0.805709 0.160507 O\n0.500000 0.695278 0.840329 O\n0.500000 0.673585 0.333408 O\n0.500000 0.825604 0.666496 O\n0.500000 0.174396 0.166496 O\n0.500000 0.326415 0.833408 O\n0.500000 0.417676 0.218084 O\n0.500000 0.082244 0.783241 O\n0.500000 0.917756 0.283241 O\n0.500000 0.582324 0.718084 O\n0.000000 0.667976 0.236615 O\n0.000000 0.832016 0.763548 O\n0.000000 0.167984 0.263548 O\n0.000000 0.332024 0.736615 O\n0.000000 0.572372 0.144026 O\n0.000000 0.923459 0.854775 O\n0.000000 0.076541 0.354775 O\n0.000000 0.427628 0.644026 O\n0.000000 0.745895 0.426458 O\n0.000000 0.746982 0.574151 O\n0.000000 0.253018 0.074151 O\n0.000000 0.254105 0.926458 O\n0.500000 0.727413 0.067088 O\n0.500000 0.777061 0.933020 O\n0.500000 0.222939 0.433020 O\n0.500000 0.272587 0.567088 O\n",
"nsites": 62,
"nelements": 3,
"elements": [
"Na",
"Mn",
"O"
],
"chemical_system": "Mn-Na-O",
"density": 4.064539229426819,
"density_atomic": 0.08677975006677219,
"volume": 714.4523918574835,
"volume_molar": 6.939569145297489,
"formula_full": "Na8 Mn18 O36",
"formula_reduced": "Na4Mn9O18",
"formula_anonymous": "A4B9C18",
"energy": -475.25752015,
"energy_per_atom": -7.665443873387097,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -420.50152015,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 62.1278101,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:54.639000Z",
"spacegroup": 26
},
{
"id": "mp-1209727",
"created_at": "2022-09-04T14:40:15.697718Z",
"structure_string": "Yb4 W16 S6 O24\n1.0\n0.000000 -5.706547 0.000000\n-9.293722 2.853274 4.082135\n5.273165 0.000000 -21.324447\nYb W S O\n4 16 6 24\ndirect\n0.806953 0.680207 0.577541 Yb\n0.193047 0.319793 0.422459 Yb\n0.126746 0.319793 0.922459 Yb\n0.873254 0.680207 0.077541 Yb\n0.447584 0.791451 0.952411 W\n0.552416 0.208549 0.047589 W\n0.656133 0.208549 0.547589 W\n0.343867 0.791451 0.452411 W\n0.330673 0.571212 0.768793 W\n0.669327 0.428788 0.231207 W\n0.759460 0.428788 0.731207 W\n0.240540 0.571212 0.268793 W\n0.898818 0.010786 0.567445 W\n0.101181 0.989214 0.432555 W\n0.888033 0.989214 0.932555 W\n0.111967 0.010786 0.067445 W\n0.339689 0.945373 0.874896 W\n0.660311 0.054627 0.125104 W\n0.394316 0.054627 0.625104 W\n0.605684 0.945373 0.374896 W\n0.666207 0.000000 0.750000 S\n0.333793 0.000000 0.250000 S\n0.662112 0.480262 0.903264 S\n0.337888 0.519738 0.096736 S\n0.181851 0.519738 0.596736 S\n0.818149 0.480262 0.403264 S\n0.576016 0.619722 0.968607 O\n0.423984 0.380278 0.031393 O\n0.956294 0.380278 0.531393 O\n0.043706 0.619722 0.468607 O\n0.487175 0.956259 0.789237 O\n0.512825 0.043741 0.210763 O\n0.530916 0.043741 0.710763 O\n0.469084 0.956259 0.289237 O\n0.385484 0.529071 0.554723 O\n0.614516 0.470929 0.445277 O\n0.856413 0.470929 0.945277 O\n0.143587 0.529071 0.054723 O\n0.445683 0.326630 0.859974 O\n0.554317 0.673370 0.140026 O\n0.119053 0.673370 0.640026 O\n0.880947 0.326630 0.359974 O\n0.776672 0.526549 0.856031 O\n0.223328 0.473451 0.143969 O\n0.250124 0.473451 0.643969 O\n0.749876 0.526549 0.356031 O\n0.740684 0.855297 0.693735 O\n0.259316 0.144703 0.306265 O\n0.885387 0.144703 0.806265 O\n0.114613 0.855297 0.193735 O\n",
"nsites": 50,
"nelements": 4,
"elements": [
"Yb",
"W",
"S",
"O"
],
"chemical_system": "O-S-W-Yb",
"density": 6.934620183549338,
"density_atomic": 0.04959798208438899,
"volume": 1008.1055296751185,
"volume_molar": 12.14190680127584,
"formula_full": "Yb4 W16 S6 O24",
"formula_reduced": "Yb2W8(SO4)3",
"formula_anonymous": "A2B3C8D12",
"energy": -365.17565248,
"energy_per_atom": -7.3035130496,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -277.67965248,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 62.1097837,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:01.630000Z",
"spacegroup": 15
},
{
"id": "mp-1200010",
"created_at": "2022-09-04T14:44:54.086586Z",
"structure_string": "Mn16 Si12 Cl2 O48\n1.0\n-2.174665 0.000000 7.645965\n0.000000 -13.008000 0.000000\n11.356249 6.504000 0.000000\nMn Si Cl O\n16 12 2 48\ndirect\n0.000000 0.883587 0.000000 Mn\n0.000000 0.116413 0.000000 Mn\n0.000000 0.655504 0.000000 Mn\n0.000000 0.344496 0.000000 Mn\n0.985695 0.872628 0.745257 Mn\n0.014305 0.127372 0.254743 Mn\n0.996795 0.626513 0.756289 Mn\n0.996795 0.129776 0.756289 Mn\n0.003205 0.373487 0.243711 Mn\n0.003205 0.870224 0.243711 Mn\n0.000212 0.379251 0.758502 Mn\n0.999788 0.620749 0.241498 Mn\n0.950935 0.638596 0.500367 Mn\n0.950935 0.861771 0.500367 Mn\n0.049065 0.361404 0.499633 Mn\n0.049065 0.138229 0.499633 Mn\n0.640787 0.415718 0.592259 Si\n0.640787 0.176541 0.592259 Si\n0.359213 0.584282 0.407741 Si\n0.359213 0.823459 0.407741 Si\n0.629210 0.422101 0.355397 Si\n0.629210 0.933296 0.355397 Si\n0.370790 0.577899 0.644603 Si\n0.370790 0.066704 0.644603 Si\n0.630827 0.181370 0.122708 Si\n0.630827 0.941337 0.122708 Si\n0.369173 0.818630 0.877292 Si\n0.369173 0.058663 0.877292 Si\n0.808362 0.446479 0.892959 Cl\n0.191638 0.553521 0.107041 Cl\n0.500000 0.831091 0.000000 O\n0.500000 0.168909 0.000000 O\n0.418045 0.934679 0.869358 O\n0.581955 0.065321 0.130642 O\n0.417782 0.704553 0.768017 O\n0.417782 0.063464 0.768017 O\n0.582218 0.295447 0.231983 O\n0.582218 0.936536 0.231983 O\n0.509689 0.495666 0.669561 O\n0.509689 0.173895 0.669561 O\n0.490311 0.504334 0.330439 O\n0.490311 0.826105 0.330439 O\n0.411189 0.599284 0.541244 O\n0.411189 0.941961 0.541244 O\n0.588811 0.400716 0.458756 O\n0.588811 0.058039 0.458756 O\n0.404316 0.714161 0.428322 O\n0.595684 0.285839 0.571678 O\n0.852216 0.459649 0.655043 O\n0.852216 0.195394 0.655043 O\n0.147784 0.540351 0.344957 O\n0.147784 0.804606 0.344957 O\n0.838219 0.472993 0.392811 O\n0.838219 0.919818 0.392811 O\n0.161781 0.527007 0.607189 O\n0.161781 0.080182 0.607189 O\n0.843072 0.200984 0.141649 O\n0.843072 0.940665 0.141649 O\n0.156928 0.799016 0.858351 O\n0.156928 0.059335 0.858351 O\n0.896479 0.944035 0.888069 O\n0.103521 0.055965 0.111931 O\n0.878311 0.717092 0.904225 O\n0.878311 0.187133 0.904225 O\n0.121689 0.282908 0.095775 O\n0.121689 0.812867 0.095775 O\n0.886946 0.685497 0.651318 O\n0.886946 0.965820 0.651318 O\n0.113054 0.314503 0.348682 O\n0.113054 0.034180 0.348682 O\n0.888148 0.686432 0.372865 O\n0.111852 0.313568 0.627135 O\n0.923831 0.200835 0.401671 O\n0.076169 0.799165 0.598329 O\n0.900812 0.432988 0.137326 O\n0.900812 0.704338 0.137326 O\n0.099188 0.567012 0.862674 O\n0.099188 0.295662 0.862674 O\n",
"nsites": 78,
"nelements": 4,
"elements": [
"Mn",
"Si",
"Cl",
"O"
],
"chemical_system": "Cl-Mn-O-Si",
"density": 3.0210962966462356,
"density_atomic": 0.06905845570393296,
"volume": 1129.4779068677872,
"volume_molar": 8.720352487779468,
"formula_full": "Mn16 Si12 Cl2 O48",
"formula_reduced": "Mn8Si6ClO24",
"formula_anonymous": "AB6C8D24",
"energy": -644.51910355,
"energy_per_atom": -8.263065430128204,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -583.62710355,
"band_gap": 0.4704000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 62.0564079,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:50.668000Z",
"spacegroup": 12
},
{
"id": "mp-685488",
"created_at": "2022-09-04T14:45:39.569142Z",
"structure_string": "Mn18 Cu12 O40\n1.0\n2.996953 5.234344 0.000000\n-2.996953 5.234344 0.000000\n0.000000 4.109437 24.515985\nMn Cu O\n18 12 40\ndirect\n0.994042 0.994042 0.999441 Mn\n0.594333 0.594333 0.197498 Mn\n0.126260 0.624082 0.125005 Mn\n0.624082 0.126260 0.125005 Mn\n0.197411 0.197411 0.398961 Mn\n0.324069 0.324069 0.025122 Mn\n0.725704 0.223137 0.324932 Mn\n0.223137 0.725704 0.324932 Mn\n0.794404 0.794404 0.599992 Mn\n0.725605 0.725605 0.324829 Mn\n0.325914 0.822642 0.524965 Mn\n0.822642 0.325914 0.524965 Mn\n0.926285 0.423721 0.725867 Mn\n0.423721 0.926285 0.725867 Mn\n0.125542 0.125542 0.625863 Mn\n0.524861 0.025156 0.923738 Mn\n0.025156 0.524861 0.923738 Mn\n0.724715 0.724715 0.824618 Mn\n0.653713 0.653713 0.049293 Cu\n0.250757 0.250757 0.250569 Cu\n0.124997 0.124997 0.125097 Cu\n0.854774 0.854774 0.452086 Cu\n0.923626 0.923626 0.224788 Cu\n0.525298 0.525298 0.425966 Cu\n0.453723 0.453723 0.650944 Cu\n0.397046 0.397046 0.800079 Cu\n0.326188 0.326188 0.524731 Cu\n0.053411 0.053411 0.849356 Cu\n0.925367 0.925367 0.725608 Cu\n0.525401 0.525401 0.923959 Cu\n0.464660 0.464660 0.078633 O\n0.284973 0.284973 0.169350 O\n0.011717 0.466704 0.077038 O\n0.466704 0.011717 0.077038 O\n0.061342 0.061342 0.281257 O\n0.783630 0.240347 0.170847 O\n0.240347 0.783630 0.170847 O\n0.604931 0.058767 0.279753 O\n0.877069 0.877069 0.371534 O\n0.965181 0.965181 0.081550 O\n0.058767 0.604931 0.279753 O\n0.785877 0.785877 0.168834 O\n0.666269 0.666269 0.481876 O\n0.392663 0.841273 0.370393 O\n0.841273 0.392663 0.370393 O\n0.485981 0.485981 0.569636 O\n0.207727 0.667958 0.479454 O\n0.572382 0.572382 0.279675 O\n0.667958 0.207727 0.479454 O\n0.389761 0.389761 0.368537 O\n0.986971 0.435252 0.572823 O\n0.266470 0.266470 0.678371 O\n0.083547 0.083547 0.768035 O\n0.435252 0.986971 0.572823 O\n0.164427 0.164427 0.481577 O\n0.811764 0.267755 0.677122 O\n0.267755 0.811764 0.677122 O\n0.988265 0.988265 0.570929 O\n0.582291 0.040247 0.773493 O\n0.864412 0.864412 0.876973 O\n0.684389 0.684389 0.967687 O\n0.040247 0.582291 0.773493 O\n0.766406 0.766406 0.683368 O\n0.409558 0.866989 0.876574 O\n0.866989 0.409558 0.876574 O\n0.585045 0.585045 0.773168 O\n0.185612 0.636417 0.972242 O\n0.636417 0.185612 0.972242 O\n0.366175 0.366175 0.881008 O\n0.186616 0.186616 0.970711 O\n",
"nsites": 70,
"nelements": 3,
"elements": [
"Mn",
"Cu",
"O"
],
"chemical_system": "Cu-Mn-O",
"density": 5.162762097415303,
"density_atomic": 0.09100735748856548,
"volume": 769.168580779802,
"volume_molar": 6.617202088036284,
"formula_full": "Mn18 Cu12 O40",
"formula_reduced": "Mn9(Cu3O10)2",
"formula_anonymous": "A6B9C20",
"energy": -522.60816774,
"energy_per_atom": -7.465830967714286,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -465.10416774,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 62.0035374,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:05.497000Z",
"spacegroup": 8
},
{
"id": "mp-698670",
"created_at": "2022-09-04T14:47:58.478503Z",
"structure_string": "Sr14 Fe14 O39\n1.0\n4.589098 0.001704 3.162811\n-1.595397 12.617710 36.767981\n0.036775 0.007100 14.706441\nSr Fe O\n14 14 39\ndirect\n0.247382 0.115887 0.230111 Sr\n0.255751 0.256381 0.226971 Sr\n0.254286 0.393655 0.240850 Sr\n0.770475 0.037096 0.736170 Sr\n0.734846 0.182072 0.747624 Sr\n0.240857 0.537232 0.255245 Sr\n0.735159 0.317513 0.765070 Sr\n0.254756 0.668202 0.271874 Sr\n0.752869 0.466030 0.743552 Sr\n0.254379 0.821146 0.248956 Sr\n0.245185 0.958227 0.270613 Sr\n0.770940 0.611575 0.729799 Sr\n0.744579 0.745452 0.764574 Sr\n0.749872 0.892300 0.751985 Sr\n0.981833 0.992313 0.013545 Fe\n0.507397 0.072456 0.494243 Fe\n0.001253 0.139738 0.008422 Fe\n0.002333 0.429943 0.996966 Fe\n0.518188 0.220707 0.486292 Fe\n0.994520 0.286463 0.998385 Fe\n0.522979 0.351146 0.512411 Fe\n0.504920 0.498973 0.500853 Fe\n0.976111 0.580562 0.978315 Fe\n0.984145 0.854526 0.017297 Fe\n0.509554 0.643249 0.496161 Fe\n0.996087 0.714447 0.001792 Fe\n0.480557 0.785655 0.504093 Fe\n0.524562 0.932855 0.476349 Fe\n0.245352 0.031916 0.269673 O\n0.249385 0.180914 0.241235 O\n0.714529 0.025160 0.292904 O\n0.753525 0.109781 0.243606 O\n0.266827 0.039511 0.740858 O\n0.226751 0.308228 0.289383 O\n0.757606 0.180421 0.242138 O\n0.710391 0.237788 0.287689 O\n0.239306 0.161578 0.786309 O\n0.757243 0.108551 0.743029 O\n0.250875 0.261428 0.716896 O\n0.746414 0.325009 0.246285 O\n0.242068 0.334629 0.709442 O\n0.721523 0.403890 0.230624 O\n0.757993 0.245129 0.756941 O\n0.757865 0.464211 0.246550 O\n0.266622 0.608771 0.239039 O\n0.240360 0.390842 0.757570 O\n0.253734 0.463222 0.752024 O\n0.781605 0.525073 0.268055 O\n0.744790 0.390820 0.757735 O\n0.258526 0.754122 0.232159 O\n0.754731 0.606663 0.248651 O\n0.251162 0.532259 0.759515 O\n0.264896 0.604907 0.757400 O\n0.755640 0.675779 0.254712 O\n0.756672 0.538585 0.741620 O\n0.254673 0.901998 0.227709 O\n0.783369 0.757858 0.217490 O\n0.248277 0.672356 0.766680 O\n0.232544 0.755339 0.741627 O\n0.733722 0.819522 0.258432 O\n0.732752 0.681354 0.747806 O\n0.250570 0.827350 0.741416 O\n0.737726 0.890142 0.257400 O\n0.792083 0.981020 0.200810 O\n0.720538 0.822393 0.760020 O\n0.254842 0.962124 0.747370 O\n0.781061 0.963240 0.738870 O\n",
"nsites": 67,
"nelements": 3,
"elements": [
"Sr",
"Fe",
"O"
],
"chemical_system": "Fe-O-Sr",
"density": 5.149417255693195,
"density_atomic": 0.07892555055299244,
"volume": 848.9012687344468,
"volume_molar": 7.630153629345411,
"formula_full": "Sr14 Fe14 O39",
"formula_reduced": "Sr14Fe14O39",
"formula_anonymous": "A14B14C39",
"energy": -487.83831018,
"energy_per_atom": -7.281168808656717,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -429.46131018,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 62.0032589,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:23.986000Z",
"spacegroup": 1
},
{
"id": "mp-760841",
"created_at": "2022-09-04T14:41:31.143774Z",
"structure_string": "Na2 Mn20 O40\n1.0\n-6.598391 6.598391 4.172860\n6.598391 -6.598391 4.172860\n6.598391 6.598391 -4.172860\nNa Mn O\n2 20 40\ndirect\n0.250000 0.750000 0.500000 Na\n0.000000 0.000000 0.000000 Na\n0.730124 0.179735 0.651728 Mn\n0.528143 0.078618 0.853781 Mn\n0.921604 0.269876 0.449611 Mn\n0.625000 0.875000 0.750000 Mn\n0.924362 0.278143 0.949525 Mn\n0.325638 0.471857 0.550475 Mn\n0.528007 0.078396 0.348272 Mn\n0.224837 0.674362 0.146219 Mn\n0.125000 0.375000 0.250000 Mn\n0.921382 0.775163 0.449525 Mn\n0.721857 0.671382 0.646219 Mn\n0.519876 0.570265 0.848272 Mn\n0.328396 0.480124 0.050389 Mn\n0.025163 0.075638 0.353781 Mn\n0.820265 0.471993 0.550389 Mn\n0.429735 0.278007 0.949611 Mn\n0.125000 0.875000 0.750000 Mn\n0.721993 0.671604 0.151728 Mn\n0.328618 0.974837 0.050475 Mn\n0.125000 0.875000 0.250000 Mn\n0.773367 0.316801 0.369702 O\n0.947099 0.403665 0.630298 O\n0.683199 0.052901 0.456566 O\n0.162585 0.488386 0.442804 O\n0.511614 0.954418 0.674199 O\n0.767715 0.299688 0.845051 O\n0.077336 0.232285 0.531973 O\n0.855273 0.123898 0.758485 O\n0.681175 0.036652 0.932440 O\n0.454637 0.922664 0.154949 O\n0.251265 0.318825 0.355476 O\n0.568825 0.713348 0.567560 O\n0.172664 0.517715 0.968027 O\n0.394727 0.626102 0.741515 O\n0.998735 0.431175 0.144524 O\n0.482285 0.450312 0.654949 O\n0.738386 0.795582 0.825801 O\n0.087415 0.261614 0.057196 O\n0.346788 0.605273 0.231375 O\n0.145789 0.001265 0.432440 O\n0.963348 0.895789 0.644524 O\n0.302901 0.346335 0.869702 O\n0.700312 0.545363 0.468027 O\n0.566801 0.697099 0.043434 O\n0.903212 0.144727 0.268625 O\n0.876102 0.634586 0.731375 O\n0.045582 0.719781 0.557196 O\n0.476633 0.433199 0.130298 O\n0.653665 0.523367 0.956566 O\n0.969781 0.912585 0.174199 O\n0.373898 0.115414 0.768625 O\n0.596335 0.226633 0.543434 O\n0.204418 0.030219 0.942804 O\n0.795363 0.827336 0.345051 O\n0.884586 0.653212 0.258485 O\n0.549688 0.204637 0.031973 O\n0.286652 0.854211 0.855476 O\n0.104211 0.748735 0.067560 O\n0.365414 0.096788 0.241515 O\n0.280219 0.837415 0.325801 O\n",
"nsites": 62,
"nelements": 3,
"elements": [
"Na",
"Mn",
"O"
],
"chemical_system": "Mn-Na-O",
"density": 4.078011271748161,
"density_atomic": 0.0853142918050007,
"volume": 726.7246634562799,
"volume_molar": 7.058771317898945,
"formula_full": "Na2 Mn20 O40",
"formula_reduced": "NaMn10O20",
"formula_anonymous": "AB10C20",
"energy": -495.08601074,
"energy_per_atom": -7.985258237741935,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -434.24601074,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 62.002745,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:23.339000Z",
"spacegroup": 88
},
{
"id": "mp-699179",
"created_at": "2022-09-04T14:47:26.149912Z",
"structure_string": "Li7 Mn17 O32\n1.0\n8.304038 6.040932 0.000000\n-8.304038 6.040932 0.000000\n0.000000 5.643710 6.052627\nLi Mn O\n7 17 32\ndirect\n0.937735 0.562653 0.501723 Li\n0.810834 0.189166 0.000000 Li\n0.684830 0.807839 0.003581 Li\n0.564222 0.435778 0.500000 Li\n0.437347 0.062265 0.498277 Li\n0.192161 0.315170 0.996419 Li\n0.061511 0.938489 0.500000 Li\n0.869699 0.868662 0.255159 Mn\n0.000529 0.754838 0.995353 Mn\n0.001957 0.253592 0.495723 Mn\n0.626516 0.126474 0.748453 Mn\n0.746408 0.998043 0.504277 Mn\n0.873526 0.373484 0.251547 Mn\n0.751919 0.501039 0.998869 Mn\n0.381587 0.377801 0.247041 Mn\n0.498961 0.248081 0.001131 Mn\n0.622199 0.618413 0.752959 Mn\n0.497078 0.744253 0.502231 Mn\n0.255747 0.502922 0.497769 Mn\n0.123779 0.626198 0.746778 Mn\n0.373802 0.876221 0.253222 Mn\n0.310762 0.689238 0.000000 Mn\n0.245162 0.999471 0.004647 Mn\n0.131338 0.130301 0.744841 Mn\n0.886184 0.870523 0.010434 O\n0.746102 0.009961 0.733926 O\n0.871439 0.359274 0.495419 O\n0.990039 0.253898 0.266074 O\n0.640726 0.128561 0.504581 O\n0.783983 0.523135 0.212807 O\n0.873294 0.388634 0.010557 O\n0.006551 0.745318 0.767017 O\n0.493773 0.261456 0.235333 O\n0.610476 0.598012 0.006268 O\n0.738544 0.506227 0.764667 O\n0.401988 0.389524 0.993732 O\n0.837770 0.850989 0.519463 O\n0.503490 0.736900 0.736473 O\n0.612688 0.626495 0.522805 O\n0.725610 0.961850 0.291039 O\n0.265646 0.526593 0.715784 O\n0.381549 0.861033 0.490930 O\n0.473407 0.734354 0.284216 O\n0.138967 0.618451 0.509070 O\n0.611366 0.126706 0.989443 O\n0.254682 0.993449 0.232983 O\n0.374216 0.891306 0.006060 O\n0.476865 0.216017 0.787193 O\n0.016670 0.777571 0.214562 O\n0.129477 0.113816 0.989566 O\n0.222429 0.983330 0.785438 O\n0.373505 0.387312 0.477195 O\n0.038150 0.274390 0.708961 O\n0.149011 0.162230 0.480537 O\n0.263100 0.496510 0.263527 O\n0.108694 0.625784 0.993940 O\n",
"nsites": 56,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 4.086787608061159,
"density_atomic": 0.09221909279060755,
"volume": 607.249521822487,
"volume_molar": 6.530253744388766,
"formula_full": "Li7 Mn17 O32",
"formula_reduced": "Li7Mn17O32",
"formula_anonymous": "A7B17C32",
"energy": -442.25126313,
"energy_per_atom": -7.897343984464285,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -391.91126313,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 62.002429,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:12.322000Z",
"spacegroup": 5
},
{
"id": "mp-1182503",
"created_at": "2022-09-04T14:40:34.582499Z",
"structure_string": "Fe16 O34\n1.0\n5.883020 0.000000 0.000000\n-0.004374 10.133135 0.000000\n-0.013003 -0.176430 10.439779\nFe O\n16 34\ndirect\n0.998969 0.652660 0.110851 Fe\n0.000491 0.851749 0.622263 Fe\n0.249949 0.169418 0.581900 Fe\n0.250428 0.324730 0.089697 Fe\n0.002035 0.340121 0.781625 Fe\n0.002911 0.138700 0.272363 Fe\n0.249477 0.822288 0.312367 Fe\n0.249860 0.660339 0.798706 Fe\n0.500225 0.652412 0.111084 Fe\n0.499263 0.851464 0.621813 Fe\n0.749643 0.165433 0.575089 Fe\n0.754100 0.173836 0.974536 Fe\n0.496241 0.338955 0.782946 Fe\n0.493792 0.139188 0.272817 Fe\n0.749652 0.821432 0.312358 Fe\n0.749113 0.657117 0.797712 Fe\n0.998156 0.698657 0.306956 O\n0.995661 0.946653 0.298756 O\n0.999989 0.660163 0.678955 O\n0.998545 0.665948 0.917548 O\n0.251153 0.210698 0.764830 O\n0.252901 0.461712 0.789314 O\n0.247083 0.117999 0.152603 O\n0.248708 0.154669 0.398869 O\n0.992222 0.291159 0.589339 O\n0.997577 0.044825 0.595177 O\n0.049175 0.323028 0.231047 O\n0.003544 0.300562 0.971923 O\n0.249994 0.774069 0.120209 O\n0.249618 0.526815 0.103959 O\n0.250244 0.859155 0.742564 O\n0.249370 0.828142 0.503148 O\n0.501565 0.698448 0.307487 O\n0.502787 0.946741 0.299069 O\n0.498877 0.661200 0.677900 O\n0.500664 0.666608 0.917700 O\n0.746099 0.211804 0.786983 O\n0.746255 0.460079 0.783425 O\n0.747551 0.132772 0.150644 O\n0.749665 0.167106 0.385778 O\n0.506048 0.290454 0.588073 O\n0.501817 0.043975 0.593901 O\n0.496617 0.295769 0.972927 O\n0.749279 0.778436 0.118347 O\n0.749456 0.539551 0.116309 O\n0.749245 0.859393 0.741215 O\n0.750089 0.827447 0.503387 O\n0.594546 0.016141 0.942758 O\n0.930903 0.024705 0.941115 O\n0.448448 0.324278 0.231659 O\n",
"nsites": 50,
"nelements": 2,
"elements": [
"Fe",
"O"
],
"chemical_system": "Fe-O",
"density": 3.835494562133533,
"density_atomic": 0.08034050286123501,
"volume": 622.3510958894612,
"volume_molar": 7.495771803173187,
"formula_full": "Fe16 O34",
"formula_reduced": "Fe8O17",
"formula_anonymous": "A8B17",
"energy": -359.50881573,
"energy_per_atom": -7.1901763145999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -300.05481573,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 62.0017633,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:51.754000Z",
"spacegroup": 1
},
{
"id": "mp-706340",
"created_at": "2022-09-04T14:47:43.557015Z",
"structure_string": "Ca18 La2 Mn20 O60\n1.0\n7.636416 0.000000 0.000000\n-3.803329 8.484669 0.000000\n-0.058039 -0.122031 17.059089\nCa La Mn O\n18 2 20 60\ndirect\n0.683073 0.392486 0.858402 Ca\n0.425157 0.804253 0.943038 Ca\n0.174862 0.393972 0.854966 Ca\n0.282341 0.592295 0.660917 Ca\n0.917778 0.809227 0.940935 Ca\n0.025963 0.004218 0.744331 Ca\n0.774908 0.595720 0.655389 Ca\n0.880136 0.789776 0.458325 Ca\n0.517783 0.009988 0.740545 Ca\n0.623847 0.205078 0.544878 Ca\n0.375702 0.794831 0.455466 Ca\n0.480475 0.988518 0.259189 Ca\n0.227700 0.406489 0.344835 Ca\n0.971243 0.993927 0.255337 Ca\n0.081715 0.190062 0.059923 Ca\n0.719575 0.409779 0.340938 Ca\n0.827501 0.607468 0.145452 Ca\n0.317344 0.607930 0.140731 Ca\n0.111546 0.205260 0.544597 La\n0.585008 0.196144 0.054058 La\n0.801637 0.098869 0.898545 Mn\n0.297300 0.099251 0.898733 Mn\n0.498688 0.502316 0.999156 Mn\n0.403162 0.302113 0.701686 Mn\n0.099856 0.699966 0.800318 Mn\n0.898224 0.301726 0.701437 Mn\n0.999072 0.502830 0.499084 Mn\n0.600836 0.700949 0.800219 Mn\n0.696390 0.897000 0.600581 Mn\n0.503114 0.502229 0.499550 Mn\n0.599675 0.699922 0.300039 Mn\n0.200729 0.895816 0.600325 Mn\n0.300895 0.098420 0.398518 Mn\n0.100427 0.700557 0.300080 Mn\n0.197582 0.897097 0.100581 Mn\n0.796792 0.099253 0.398259 Mn\n0.903692 0.302193 0.201897 Mn\n0.700029 0.895629 0.100448 Mn\n0.399100 0.301071 0.201639 Mn\n0.003245 0.502629 0.999294 Mn\n0.559662 0.120293 0.917746 O\n0.380004 0.319361 0.930868 O\n0.762209 0.967595 0.992162 O\n0.598928 0.636631 0.908925 O\n0.273131 0.548020 0.995810 O\n0.935640 0.285527 0.964408 O\n0.657193 0.912917 0.836596 O\n0.161300 0.321627 0.719068 O\n0.326990 0.652497 0.804455 O\n0.837705 0.236234 0.808412 O\n0.002071 0.564959 0.890939 O\n0.219920 0.879955 0.869871 O\n0.977736 0.520352 0.730633 O\n0.362861 0.165173 0.791474 O\n0.198942 0.833408 0.708981 O\n0.873351 0.747912 0.796148 O\n0.038180 0.078391 0.877937 O\n0.543323 0.487702 0.763153 O\n0.264963 0.111014 0.639004 O\n0.761978 0.524031 0.521184 O\n0.929364 0.856532 0.602871 O\n0.601732 0.765242 0.691018 O\n0.434204 0.433412 0.608163 O\n0.827047 0.083037 0.666935 O\n0.578285 0.719124 0.530078 O\n0.959231 0.369867 0.591963 O\n0.789752 0.030288 0.507368 O\n0.473296 0.946103 0.596506 O\n0.638834 0.278164 0.679559 O\n0.145209 0.687151 0.562648 O\n0.857983 0.311776 0.438250 O\n0.361478 0.722151 0.321883 O\n0.525195 0.051432 0.403059 O\n0.201018 0.966583 0.491174 O\n0.036033 0.636313 0.408512 O\n0.421086 0.279958 0.469572 O\n0.178327 0.920612 0.328835 O\n0.564514 0.564795 0.391599 O\n0.400418 0.235979 0.309241 O\n0.072058 0.146286 0.396543 O\n0.237725 0.476971 0.479227 O\n0.742668 0.887243 0.362039 O\n0.455910 0.512557 0.237474 O\n0.961405 0.920028 0.121685 O\n0.127544 0.252702 0.204810 O\n0.799405 0.165528 0.291414 O\n0.634274 0.832887 0.208597 O\n0.022513 0.480126 0.270671 O\n0.782449 0.116416 0.133775 O\n0.164798 0.763414 0.191367 O\n0.994150 0.431736 0.108496 O\n0.838499 0.677652 0.278877 O\n0.673105 0.346634 0.194925 O\n0.342987 0.087610 0.162510 O\n0.057559 0.713105 0.037319 O\n0.729155 0.459323 0.002433 O\n0.237159 0.035065 0.008526 O\n0.402230 0.365593 0.091104 O\n0.621168 0.679452 0.070242 O\n0.440047 0.880296 0.078315 O\n",
"nsites": 100,
"nelements": 4,
"elements": [
"Ca",
"La",
"Mn",
"O"
],
"chemical_system": "Ca-La-Mn-O",
"density": 4.594071141688848,
"density_atomic": 0.09047314379561167,
"volume": 1105.3003776005673,
"volume_molar": 6.656274455991768,
"formula_full": "Ca18 La2 Mn20 O60",
"formula_reduced": "Ca9LaMn10O30",
"formula_anonymous": "AB9C10D30",
"energy": -781.8068309,
"energy_per_atom": -7.818068309,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -707.2268309,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 62.000548,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:20.745000Z",
"spacegroup": 1
},
{
"id": "mp-1212175",
"created_at": "2022-09-04T14:45:03.036093Z",
"structure_string": "Mn16 Si12 Cl2 O48\n1.0\n0.000000 0.000000 -7.677880\n-6.457593 -11.184879 0.000000\n-6.457593 11.184879 0.000000\nMn Si Cl O\n16 12 2 48\ndirect\n0.055979 0.752209 0.504417 Mn\n0.944021 0.247791 0.495583 Mn\n0.055979 0.752209 0.247791 Mn\n0.944021 0.247791 0.752209 Mn\n0.055979 0.495583 0.247791 Mn\n0.944021 0.504417 0.752209 Mn\n0.000000 0.500000 0.500000 Mn\n0.000000 0.000000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.000000 0.761036 0.761036 Mn\n0.000000 0.238964 0.238964 Mn\n0.000000 0.000000 0.238964 Mn\n0.000000 0.000000 0.761036 Mn\n0.000000 0.238964 0.000000 Mn\n0.000000 0.761036 0.000000 Mn\n0.000000 0.000000 0.000000 Mn\n0.642130 0.909376 0.332314 Si\n0.357870 0.090624 0.667686 Si\n0.642130 0.422938 0.090624 Si\n0.357870 0.577062 0.667686 Si\n0.357870 0.577062 0.909376 Si\n0.642130 0.422938 0.332314 Si\n0.642130 0.667686 0.577062 Si\n0.357870 0.332314 0.909376 Si\n0.357870 0.332314 0.422938 Si\n0.642130 0.667686 0.090624 Si\n0.357870 0.090624 0.422938 Si\n0.642130 0.909376 0.577062 Si\n0.833722 0.666667 0.333333 Cl\n0.166278 0.333333 0.666667 Cl\n0.605104 0.551890 0.103779 O\n0.394896 0.448110 0.896221 O\n0.605104 0.551890 0.448110 O\n0.394896 0.448110 0.551890 O\n0.605104 0.896221 0.448110 O\n0.394896 0.103779 0.551890 O\n0.881296 0.921208 0.842417 O\n0.118704 0.078792 0.157583 O\n0.881296 0.921208 0.078792 O\n0.118704 0.078792 0.921208 O\n0.881296 0.157583 0.078792 O\n0.118704 0.842417 0.921208 O\n0.500000 0.672007 0.672007 O\n0.500000 0.327993 0.327993 O\n0.500000 0.000000 0.327993 O\n0.500000 0.000000 0.672007 O\n0.500000 0.327993 0.000000 O\n0.500000 0.672007 0.000000 O\n0.892618 0.159573 0.319147 O\n0.107382 0.840427 0.680853 O\n0.892618 0.159573 0.840427 O\n0.107382 0.840427 0.159573 O\n0.892618 0.680853 0.840427 O\n0.107382 0.319147 0.159573 O\n0.599667 0.784059 0.568117 O\n0.400333 0.215941 0.431883 O\n0.599667 0.784059 0.215941 O\n0.400333 0.215941 0.784059 O\n0.599667 0.431883 0.215941 O\n0.400333 0.568117 0.784059 O\n0.885569 0.423912 0.847824 O\n0.114431 0.576088 0.152176 O\n0.885569 0.423912 0.576088 O\n0.114431 0.576088 0.423912 O\n0.885569 0.152176 0.576088 O\n0.114431 0.847824 0.423912 O\n0.850001 0.944054 0.334903 O\n0.150000 0.055946 0.665097 O\n0.850001 0.390850 0.055946 O\n0.150000 0.609150 0.665097 O\n0.150000 0.609150 0.944054 O\n0.850001 0.390850 0.334903 O\n0.850001 0.665097 0.609150 O\n0.150000 0.334903 0.944054 O\n0.150000 0.334903 0.390850 O\n0.850001 0.665097 0.055946 O\n0.150000 0.055946 0.390850 O\n0.850001 0.944054 0.609150 O\n",
"nsites": 78,
"nelements": 4,
"elements": [
"Mn",
"Si",
"Cl",
"O"
],
"chemical_system": "Cl-Mn-O-Si",
"density": 3.0765858157183517,
"density_atomic": 0.07032687621046506,
"volume": 1109.1065635642883,
"volume_molar": 8.563071594389784,
"formula_full": "Mn16 Si12 Cl2 O48",
"formula_reduced": "Mn8Si6ClO24",
"formula_anonymous": "AB6C8D24",
"energy": -643.4317019800001,
"energy_per_atom": -8.249124384358975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -582.53970198,
"band_gap": 0.0608999999999999,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 62.0004921,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:46.911000Z",
"spacegroup": 164
},
{
"id": "mp-1213303",
"created_at": "2022-09-04T14:39:23.244475Z",
"structure_string": "Eu10 Si6 O26\n1.0\n4.800657 -8.314981 0.000000\n4.800657 8.314981 0.000000\n0.000000 0.000000 7.083204\nEu Si O\n10 6 26\ndirect\n0.764798 0.758395 0.750000 Eu\n0.235202 0.241605 0.250000 Eu\n0.993597 0.235202 0.750000 Eu\n0.006403 0.764798 0.250000 Eu\n0.241605 0.006403 0.750000 Eu\n0.758395 0.993597 0.250000 Eu\n0.333333 0.666667 0.001499 Eu\n0.666667 0.333333 0.998501 Eu\n0.666667 0.333333 0.501499 Eu\n0.333333 0.666667 0.498501 Eu\n0.599752 0.968290 0.750000 Si\n0.400248 0.031710 0.250000 Si\n0.368538 0.400248 0.750000 Si\n0.631462 0.599752 0.250000 Si\n0.031710 0.631462 0.750000 Si\n0.968290 0.368538 0.250000 Si\n0.401710 0.871603 0.750000 O\n0.598290 0.128397 0.250000 O\n0.469893 0.598290 0.750000 O\n0.530107 0.401710 0.250000 O\n0.128397 0.530107 0.750000 O\n0.871603 0.469893 0.250000 O\n0.656506 0.905720 0.935456 O\n0.343494 0.094280 0.064544 O\n0.249214 0.343494 0.935456 O\n0.343494 0.094280 0.435456 O\n0.750786 0.656506 0.064544 O\n0.656506 0.905720 0.564544 O\n0.094280 0.750786 0.935456 O\n0.750786 0.656506 0.435456 O\n0.905720 0.249214 0.064544 O\n0.249214 0.343494 0.564544 O\n0.905720 0.249214 0.435456 O\n0.094280 0.750786 0.564544 O\n0.837330 0.512742 0.750000 O\n0.162670 0.487258 0.250000 O\n0.675412 0.162670 0.750000 O\n0.324588 0.837330 0.250000 O\n0.487258 0.324588 0.750000 O\n0.512742 0.675412 0.250000 O\n0.000000 0.000000 0.750000 O\n0.000000 0.000000 0.250000 O\n",
"nsites": 42,
"nelements": 3,
"elements": [
"Eu",
"Si",
"O"
],
"chemical_system": "Eu-O-Si",
"density": 6.178762600968711,
"density_atomic": 0.07427242541184215,
"volume": 565.4857743921667,
"volume_molar": 8.108178407541027,
"formula_full": "Eu10 Si6 O26",
"formula_reduced": "Eu5Si3O13",
"formula_anonymous": "A3B5C13",
"energy": -407.3839285900001,
"energy_per_atom": -9.699617347380954,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -389.52192859,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 62.0000003,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:23.479000Z",
"spacegroup": 176
}
]
}