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=volume_molar&page=1756",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=volume_molar&page=1754",
"results": [
{
"id": "mp-1247597",
"created_at": "2022-09-04T14:43:10.765401Z",
"structure_string": "Sr4 Ca28 Mn28 Al4 O94\n1.0\n10.835134 -0.000179 -0.046223\n-0.000252 15.121174 -0.001011\n-0.045587 -0.000710 10.717304\nSr Ca Mn Al O\n4 28 28 4 94\ndirect\n0.014156 0.124631 0.500259 Sr\n0.485739 0.375889 0.002667 Sr\n0.239260 0.376757 0.249632 Sr\n0.261302 0.124828 0.251673 Sr\n0.019539 0.119890 0.991553 Ca\n0.023847 0.625483 0.494725 Ca\n0.023131 0.625427 0.996775 Ca\n0.524545 0.128611 0.497012 Ca\n0.525495 0.125420 0.995416 Ca\n0.522949 0.624761 0.495116 Ca\n0.521394 0.625117 0.997557 Ca\n0.477752 0.375051 0.504586 Ca\n0.476246 0.874008 0.002115 Ca\n0.479890 0.870174 0.506494 Ca\n0.974714 0.379305 0.001545 Ca\n0.978283 0.375466 0.503400 Ca\n0.977465 0.874578 0.005965 Ca\n0.974791 0.874837 0.503251 Ca\n0.227170 0.375726 0.745761 Ca\n0.227962 0.874952 0.246282 Ca\n0.228738 0.875008 0.748476 Ca\n0.729295 0.373235 0.245817 Ca\n0.728191 0.374623 0.745576 Ca\n0.731171 0.873428 0.245879 Ca\n0.727134 0.875586 0.744350 Ca\n0.271522 0.125060 0.751098 Ca\n0.273265 0.625767 0.253835 Ca\n0.272862 0.625618 0.754606 Ca\n0.767343 0.121684 0.254530 Ca\n0.772492 0.125060 0.755186 Ca\n0.772242 0.625055 0.254404 Ca\n0.772224 0.625166 0.754915 Ca\n0.001223 0.000839 0.249305 Mn\n0.997393 0.997354 0.753220 Mn\n0.999547 0.499445 0.249744 Mn\n0.999823 0.500626 0.749091 Mn\n0.498341 0.999561 0.747939 Mn\n0.502530 0.502434 0.250691 Mn\n0.500187 0.500616 0.747834 Mn\n0.250887 0.001334 0.001185 Mn\n0.248566 0.499478 0.998480 Mn\n0.249931 0.501408 0.502258 Mn\n0.751071 0.998439 0.996373 Mn\n0.745302 0.999125 0.498136 Mn\n0.751298 0.501768 0.000536 Mn\n0.750424 0.500182 0.500521 Mn\n0.249908 0.248436 0.500692 Mn\n0.249676 0.750101 0.000213 Mn\n0.250906 0.752273 0.499364 Mn\n0.754544 0.249033 0.001928 Mn\n0.747399 0.250571 0.502866 Mn\n0.749905 0.750337 0.999564 Mn\n0.750309 0.749517 0.500421 Mn\n0.001806 0.250146 0.754355 Mn\n0.000127 0.749927 0.249691 Mn\n-0.000008 0.750017 0.749959 Mn\n0.499667 0.246978 0.249479 Mn\n0.502828 0.248330 0.746762 Mn\n0.499920 0.753310 0.251280 Mn\n0.500161 0.749675 0.750589 Mn\n0.515393 0.997443 0.228791 Al\n0.230164 0.994075 0.515635 Al\n0.270262 0.245692 0.982206 Al\n0.982449 0.250323 0.269352 Al\n0.106728 0.268339 0.608506 O\n0.104106 0.770204 0.103085 O\n0.104460 0.771629 0.602875 O\n0.611923 0.264587 0.109738 O\n0.602727 0.268501 0.601057 O\n0.604572 0.772038 0.103982 O\n0.605328 0.769079 0.604760 O\n0.395847 0.233096 0.395963 O\n0.400842 0.228680 0.886452 O\n0.396439 0.730986 0.397408 O\n0.396024 0.730007 0.897015 O\n0.883121 0.233843 0.397038 O\n0.897500 0.231083 0.899167 O\n0.895584 0.729834 0.396771 O\n0.895817 0.728947 0.896673 O\n0.135681 0.237788 0.355943 O\n0.141294 0.232010 0.864431 O\n0.146536 0.730375 0.352918 O\n0.146383 0.729831 0.852789 O\n0.644345 0.229109 0.354689 O\n0.648028 0.230433 0.853391 O\n0.645974 0.730667 0.354010 O\n0.645440 0.729061 0.853780 O\n0.356167 0.262417 0.135671 O\n0.352957 0.267834 0.647422 O\n0.353858 0.770799 0.147230 O\n0.354720 0.771228 0.647137 O\n0.869872 0.270637 0.138631 O\n0.854974 0.270194 0.647758 O\n0.854111 0.770530 0.146309 O\n0.854568 0.771146 0.646797 O\n0.358085 0.487367 0.142172 O\n0.353374 0.481396 0.647859 O\n0.359877 0.981948 0.149057 O\n0.358446 0.980341 0.635410 O\n0.853859 0.479838 0.146365 O\n0.853935 0.479330 0.646885 O\n0.855383 0.980004 0.144995 O\n0.852710 0.980219 0.645929 O\n0.144164 0.011839 0.362152 O\n0.146444 0.018707 0.853608 O\n0.144270 0.521506 0.355454 O\n0.145629 0.520677 0.851873 O\n0.630406 0.020044 0.360019 O\n0.645671 0.020807 0.850743 O\n0.646049 0.521498 0.354789 O\n0.644676 0.520495 0.854507 O\n0.395564 0.020868 0.894976 O\n0.394691 0.519511 0.396063 O\n0.393404 0.519542 0.893741 O\n0.886920 0.017791 0.388832 O\n0.895089 0.017868 0.896688 O\n0.896220 0.518911 0.397155 O\n0.896418 0.519571 0.897559 O\n0.101685 0.482605 0.101789 O\n0.103378 0.480247 0.603938 O\n0.106046 0.981603 0.104873 O\n0.099957 0.978384 0.612822 O\n0.610315 0.484647 0.109200 O\n0.604158 0.481238 0.602191 O\n0.610727 0.978974 0.096995 O\n0.602304 0.978881 0.601711 O\n0.007502 0.372712 0.277056 O\n0.009567 0.375758 0.789195 O\n0.009065 0.874662 0.287999 O\n0.009655 0.873676 0.792596 O\n0.507505 0.374954 0.285177 O\n0.510749 0.374903 0.779095 O\n0.506809 0.880221 0.288332 O\n0.509976 0.874864 0.788805 O\n0.492317 0.119752 0.222627 O\n0.491235 0.124057 0.708100 O\n0.491333 0.627628 0.212903 O\n0.489672 0.625330 0.709847 O\n0.996712 0.130437 0.214543 O\n0.990186 0.124601 0.722634 O\n0.989014 0.624935 0.211240 O\n0.988931 0.625160 0.709661 O\n0.237012 0.128790 0.027758 O\n0.257358 0.118562 0.524501 O\n0.239443 0.625475 0.038173 O\n0.240863 0.626459 0.539762 O\n0.742521 0.124187 0.038690 O\n0.740867 0.124711 0.540380 O\n0.740695 0.626169 0.039350 O\n0.740810 0.625241 0.539855 O\n0.260113 0.375394 0.472478 O\n0.242225 0.369779 0.973616 O\n0.263288 0.878761 0.462662 O\n0.259992 0.875790 0.962266 O\n0.758222 0.375943 0.461772 O\n0.756217 0.375673 0.962114 O\n0.758221 0.874537 0.460402 O\n0.762073 0.874198 0.957778 O\n",
"nsites": 158,
"nelements": 5,
"elements": [
"Sr",
"Ca",
"Mn",
"Al",
"O"
],
"chemical_system": "Al-Ca-Mn-O-Sr",
"density": 4.371763350075884,
"density_atomic": 0.08998282473720866,
"volume": 1755.890643146988,
"volume_molar": 6.692544691264614,
"formula_full": "Sr4 Ca28 Mn28 Al4 O94",
"formula_reduced": "Sr2Ca14Mn14Al2O47",
"formula_anonymous": "A2B2C14D14E47",
"energy": -1205.54534539,
"energy_per_atom": -7.630033831582279,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1094.26334539,
"band_gap": 0.1513,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 84.0100716,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:08.430000Z",
"spacegroup": 1
},
{
"id": "mp-1222981",
"created_at": "2022-09-04T14:42:52.369817Z",
"structure_string": "Li2 Sn1 O4\n1.0\n0.839857 -0.527092 -2.991681\n-2.492799 -4.380398 0.076645\n-3.496539 5.138674 1.233781\nLi Sn O\n2 1 4\ndirect\n0.820396 0.711452 0.333595 Li\n0.179604 0.288548 0.666405 Li\n0.000000 0.000000 0.000000 Sn\n0.246278 0.928327 0.729679 O\n0.753722 0.071673 0.270321 O\n0.122851 0.481636 0.124790 O\n0.877149 0.518364 0.875210 O\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Li",
"Sn",
"O"
],
"chemical_system": "Li-O-Sn",
"density": 4.196262221360744,
"density_atomic": 0.08998104294503033,
"volume": 77.79416386934211,
"volume_molar": 6.692677216109779,
"formula_full": "Li2 Sn1 O4",
"formula_reduced": "Li2SnO4",
"formula_anonymous": "AB2C4",
"energy": -40.42826266,
"energy_per_atom": -5.775466094285714,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.56826266,
"band_gap": 2.2753,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.1e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:56.024000Z",
"spacegroup": 2
},
{
"id": "mp-754734",
"created_at": "2022-09-04T14:48:28.162000Z",
"structure_string": "Li4 Mn6 B6 O18\n1.0\n6.215075 0.000000 0.000000\n-1.301299 7.675713 0.000000\n-2.738407 -3.564048 7.920714\nLi Mn B O\n4 6 6 18\ndirect\n0.686711 0.994242 0.114749 Li\n0.999529 0.660333 0.219936 Li\n0.313289 0.005758 0.885251 Li\n0.000471 0.339667 0.780064 Li\n0.036040 0.293059 0.437692 Mn\n0.963960 0.706941 0.562308 Mn\n0.694375 0.944979 0.762599 Mn\n0.605222 0.367664 0.874509 Mn\n0.394778 0.632336 0.125491 Mn\n0.305625 0.055021 0.237401 Mn\n0.359113 0.638653 0.789677 B\n0.259786 0.030572 0.549331 B\n0.640887 0.361347 0.210323 B\n0.740214 0.969428 0.450669 B\n0.033373 0.297067 0.104903 B\n0.966627 0.702933 0.895097 B\n0.207547 0.579367 0.620715 O\n0.001945 0.177560 0.190666 O\n0.515239 0.819459 0.879790 O\n0.998055 0.822440 0.809334 O\n0.400225 0.082961 0.717042 O\n0.792453 0.420633 0.379285 O\n0.112117 0.848030 0.449487 O\n0.484761 0.180541 0.120210 O\n0.665659 0.490518 0.138086 O\n0.716073 0.835808 0.522948 O\n0.887883 0.151970 0.550513 O\n0.183039 0.476138 0.195585 O\n0.599775 0.917039 0.282958 O\n0.899576 0.225506 0.932271 O\n0.334341 0.509482 0.861914 O\n0.816961 0.523862 0.804415 O\n0.283927 0.164192 0.477052 O\n0.100424 0.774494 0.067729 O\n",
"nsites": 34,
"nelements": 4,
"elements": [
"Li",
"Mn",
"B",
"O"
],
"chemical_system": "B-Li-Mn-O",
"density": 3.1212557762852984,
"density_atomic": 0.08998072400517823,
"volume": 377.85870669415107,
"volume_molar": 6.692700938540388,
"formula_full": "Li4 Mn6 B6 O18",
"formula_reduced": "Li2Mn3(BO3)3",
"formula_anonymous": "A2B3C3D9",
"energy": -275.31863858,
"energy_per_atom": -8.097607017058824,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -252.94463858,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 28.0000001,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:53.277000Z",
"spacegroup": 2
},
{
"id": "mp-775742",
"created_at": "2022-09-04T14:48:22.968963Z",
"structure_string": "Li4 Fe6 Te2 O16\n1.0\n3.013993 -5.220388 0.000000\n3.013993 5.220388 0.000000\n0.000000 0.000000 9.888624\nLi Fe Te O\n4 6 2 16\ndirect\n0.333333 0.666667 0.908392 Li\n0.000000 0.000000 0.987936 Li\n0.000000 0.000000 0.487936 Li\n0.666667 0.333333 0.408392 Li\n0.169254 0.830746 0.212961 Fe\n0.169254 0.338508 0.212961 Fe\n0.661492 0.830746 0.212961 Fe\n0.338508 0.169254 0.712961 Fe\n0.830746 0.661492 0.712961 Fe\n0.830746 0.169254 0.712961 Fe\n0.333333 0.666667 0.484840 Te\n0.666667 0.333333 0.984840 Te\n0.164024 0.835976 0.595223 O\n0.035875 0.517937 0.345121 O\n0.333333 0.666667 0.109202 O\n0.000000 0.000000 0.303376 O\n0.000000 0.000000 0.803376 O\n0.164024 0.328048 0.595223 O\n0.482063 0.964125 0.345121 O\n0.482063 0.517937 0.345121 O\n0.328048 0.164024 0.095223 O\n0.671952 0.835976 0.595223 O\n0.517937 0.482063 0.845121 O\n0.517937 0.035875 0.845121 O\n0.666667 0.333333 0.609202 O\n0.835976 0.671952 0.095223 O\n0.964125 0.482063 0.845121 O\n0.835976 0.164024 0.095223 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Fe",
"Te",
"O"
],
"chemical_system": "Fe-Li-O-Te",
"density": 4.664034700217466,
"density_atomic": 0.08998024054595405,
"volume": 311.1794303961662,
"volume_molar": 6.69273689807977,
"formula_full": "Li4 Fe6 Te2 O16",
"formula_reduced": "Li2Fe3TeO8",
"formula_anonymous": "AB2C3D8",
"energy": -194.11268829,
"energy_per_atom": -6.932596010357143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -169.58468829,
"band_gap": 0.0678,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 27.9995242,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:42.186000Z",
"spacegroup": 186
},
{
"id": "mp-1247602",
"created_at": "2022-09-04T14:43:18.400453Z",
"structure_string": "Sr4 Ca28 Ti4 Mn28 O96\n1.0\n10.869111 0.000943 -0.002231\n0.001321 15.237402 -0.000925\n-0.002205 -0.000652 10.736634\nSr Ca Ti Mn O\n4 28 4 28 96\ndirect\n0.015410 0.124662 0.498199 Sr\n0.485280 0.376611 0.001797 Sr\n0.234452 0.377227 0.247301 Sr\n0.268157 0.124485 0.254892 Sr\n0.017947 0.124672 0.994386 Ca\n0.022952 0.625167 0.495614 Ca\n0.022758 0.625198 0.996210 Ca\n0.523175 0.124801 0.495837 Ca\n0.523899 0.124931 0.994890 Ca\n0.522923 0.625243 0.495267 Ca\n0.522782 0.625137 0.995768 Ca\n0.478438 0.374918 0.506288 Ca\n0.478862 0.873242 0.004119 Ca\n0.477746 0.875012 0.505502 Ca\n0.977415 0.375962 0.003596 Ca\n0.976566 0.375884 0.504802 Ca\n0.976809 0.873946 0.003815 Ca\n0.977109 0.874077 0.504360 Ca\n0.227047 0.375839 0.743677 Ca\n0.228612 0.872544 0.246099 Ca\n0.227261 0.874100 0.744739 Ca\n0.728845 0.375078 0.247036 Ca\n0.727656 0.374687 0.744708 Ca\n0.727511 0.874920 0.246013 Ca\n0.727314 0.875269 0.744864 Ca\n0.273618 0.124519 0.753862 Ca\n0.272770 0.625352 0.253540 Ca\n0.273359 0.625436 0.754426 Ca\n0.766344 0.124799 0.252948 Ca\n0.772270 0.125052 0.756062 Ca\n0.772648 0.625117 0.254410 Ca\n0.772539 0.624948 0.754811 Ca\n0.996974 0.997034 0.249543 Ti\n0.250472 0.997778 0.997690 Ti\n0.249168 0.250296 0.996603 Ti\n0.995898 0.252267 0.249896 Ti\n0.000055 0.999403 0.750604 Mn\n0.999443 0.502008 0.250855 Mn\n0.999643 0.500376 0.749733 Mn\n0.501184 0.998412 0.251569 Mn\n0.501739 0.000141 0.749827 Mn\n0.502025 0.502183 0.250897 Mn\n0.500485 0.500993 0.747940 Mn\n0.252228 0.998679 0.501725 Mn\n0.249408 0.502474 0.997021 Mn\n0.250125 0.501133 0.502327 Mn\n0.748413 0.998626 0.999483 Mn\n0.748105 0.999302 0.501257 Mn\n0.751939 0.501338 0.000865 Mn\n0.749916 0.500563 0.500448 Mn\n0.251647 0.250370 0.503395 Mn\n0.250243 0.748825 0.998390 Mn\n0.250577 0.749835 0.500377 Mn\n0.749946 0.250128 0.000011 Mn\n0.748043 0.250260 0.501518 Mn\n0.750289 0.750029 0.000129 Mn\n0.749827 0.749780 0.500110 Mn\n0.999845 0.250338 0.750493 Mn\n0.000432 0.748592 0.250676 Mn\n0.999740 0.749842 0.749885 Mn\n0.502500 0.249329 0.251940 Mn\n0.501406 0.248674 0.747958 Mn\n0.500287 0.750181 0.250443 Mn\n0.500656 0.750033 0.749929 Mn\n0.105242 0.266621 0.105095 O\n0.104514 0.271286 0.605992 O\n0.104654 0.770631 0.103281 O\n0.104027 0.770347 0.603009 O\n0.608987 0.266380 0.107353 O\n0.604088 0.269701 0.601973 O\n0.604249 0.770260 0.103282 O\n0.604007 0.770337 0.603017 O\n0.398361 0.232375 0.398723 O\n0.395498 0.230481 0.889209 O\n0.395964 0.729468 0.397013 O\n0.396562 0.729036 0.896648 O\n0.885843 0.235223 0.391763 O\n0.895717 0.230975 0.897748 O\n0.896052 0.728977 0.397322 O\n0.896148 0.729689 0.897093 O\n0.140839 0.237065 0.362122 O\n0.142775 0.231605 0.851780 O\n0.146549 0.729156 0.353124 O\n0.146036 0.729111 0.852554 O\n0.646013 0.229583 0.354737 O\n0.645835 0.230099 0.853187 O\n0.646221 0.729425 0.353105 O\n0.645984 0.729401 0.853021 O\n0.361750 0.263349 0.141260 O\n0.353850 0.269451 0.648536 O\n0.354887 0.770312 0.146389 O\n0.354159 0.770302 0.647097 O\n0.853695 0.269097 0.141666 O\n0.854546 0.270016 0.646314 O\n0.853748 0.770617 0.146688 O\n0.854022 0.770555 0.647090 O\n0.358088 0.487040 0.142693 O\n0.353880 0.481139 0.647522 O\n0.358146 0.980013 0.145568 O\n0.354090 0.979080 0.648200 O\n0.854334 0.479851 0.146434 O\n0.854013 0.479511 0.647053 O\n0.852984 0.980356 0.142046 O\n0.854499 0.979918 0.646313 O\n0.142184 0.011797 0.360496 O\n0.142941 0.017529 0.852500 O\n0.144618 0.522284 0.355114 O\n0.145587 0.521654 0.851737 O\n0.645870 0.019895 0.353609 O\n0.646631 0.020580 0.852364 O\n0.646320 0.521079 0.354330 O\n0.645109 0.519903 0.853928 O\n0.398992 0.018097 0.399213 O\n0.396757 0.018331 0.892080 O\n0.395307 0.520010 0.396717 O\n0.394764 0.522607 0.893594 O\n0.886274 0.014018 0.391652 O\n0.895660 0.018839 0.897829 O\n0.895372 0.521649 0.397569 O\n0.896121 0.520494 0.896974 O\n0.102164 0.482204 0.101768 O\n0.103378 0.480070 0.603682 O\n0.106742 0.981123 0.105928 O\n0.105177 0.978231 0.605312 O\n0.610074 0.484608 0.108775 O\n0.604380 0.480719 0.601990 O\n0.603258 0.978870 0.102008 O\n0.603671 0.979185 0.603005 O\n0.001109 0.378717 0.285127 O\n0.009884 0.375457 0.789260 O\n0.007343 0.871205 0.285161 O\n0.010156 0.874509 0.789555 O\n0.509620 0.375623 0.287707 O\n0.510670 0.375146 0.779009 O\n0.511240 0.874422 0.290373 O\n0.510522 0.874880 0.789635 O\n0.498137 0.123648 0.212055 O\n0.490865 0.124508 0.709361 O\n0.490446 0.626499 0.211652 O\n0.490302 0.625429 0.709538 O\n0.993020 0.124598 0.217829 O\n0.988026 0.124916 0.720185 O\n0.988991 0.625373 0.209980 O\n0.989362 0.625068 0.710340 O\n0.240406 0.124196 0.025246 O\n0.247189 0.124683 0.538373 O\n0.238928 0.625991 0.039223 O\n0.240042 0.625352 0.540243 O\n0.741247 0.124204 0.038398 O\n0.740780 0.124788 0.540336 O\n0.740541 0.625842 0.039030 O\n0.739708 0.625187 0.539918 O\n0.261259 0.375879 0.471095 O\n0.252715 0.377881 0.964686 O\n0.261241 0.874069 0.461072 O\n0.258674 0.872275 0.962948 O\n0.759321 0.375913 0.461948 O\n0.757806 0.375469 0.961017 O\n0.759559 0.874028 0.461369 O\n0.759526 0.874540 0.959787 O\n",
"nsites": 160,
"nelements": 5,
"elements": [
"Sr",
"Ca",
"Ti",
"Mn",
"O"
],
"chemical_system": "Ca-Mn-O-Sr-Ti",
"density": 4.424887277266685,
"density_atomic": 0.08998019036918718,
"volume": 1778.169165274298,
"volume_molar": 6.692740630233454,
"formula_full": "Sr4 Ca28 Ti4 Mn28 O96",
"formula_reduced": "SrCa7TiMn7O24",
"formula_anonymous": "ABC7D7E24",
"energy": -1244.23106492,
"energy_per_atom": -7.776444155750001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1131.57506492,
"band_gap": 0.3636999999999997,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 84.0000051,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:05.420000Z",
"spacegroup": 1
},
{
"id": "mp-26231",
"created_at": "2022-09-04T14:48:19.809949Z",
"structure_string": "Li1 Ni1 P2 O7\n1.0\n4.115806 3.334004 0.000000\n-4.115806 3.334004 0.000000\n0.000000 1.073532 4.454537\nLi Ni P O\n1 1 2 7\ndirect\n0.488242 0.511758 0.000000 Li\n0.118544 0.881456 0.000000 Ni\n0.571987 0.002620 0.419319 P\n0.997380 0.428013 0.580681 P\n0.428590 0.826669 0.715100 O\n0.395783 0.105356 0.211777 O\n0.762075 0.870723 0.248200 O\n0.129277 0.237925 0.751800 O\n0.173331 0.571410 0.284900 O\n0.727636 0.272364 0.500000 O\n0.894644 0.604217 0.788223 O\n",
"nsites": 11,
"nelements": 4,
"elements": [
"Li",
"Ni",
"P",
"O"
],
"chemical_system": "Li-Ni-O-P",
"density": 3.2541828615515067,
"density_atomic": 0.08997857406641294,
"volume": 122.25132609771,
"volume_molar": 6.692860853246103,
"formula_full": "Li1 Ni1 P2 O7",
"formula_reduced": "LiNiP2O7",
"formula_anonymous": "ABC2D7",
"energy": -78.26301158999999,
"energy_per_atom": -7.1148192354545445,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -70.91301159,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.9996218,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:29.794000Z",
"spacegroup": 5
},
{
"id": "mp-1172875",
"created_at": "2022-09-04T14:44:03.817923Z",
"structure_string": "Mn32 O48\n1.0\n9.580269 0.000000 0.000000\n0.000000 9.608742 0.000000\n0.000000 0.000000 9.658434\nMn O\n32 48\ndirect\n0.500000 0.500000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.500000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.509136 0.758839 0.285941 Mn\n0.490864 0.258839 0.214059 Mn\n0.990864 0.241161 0.785941 Mn\n0.009136 0.741161 0.714059 Mn\n0.490864 0.241161 0.714059 Mn\n0.509136 0.741161 0.785941 Mn\n0.009136 0.758839 0.214059 Mn\n0.990864 0.258839 0.285941 Mn\n0.256414 0.787943 0.999876 Mn\n0.743586 0.287943 0.500124 Mn\n0.243586 0.212057 0.499876 Mn\n0.756414 0.712057 0.000124 Mn\n0.743586 0.212057 0.000124 Mn\n0.256414 0.712057 0.499876 Mn\n0.756414 0.787943 0.500124 Mn\n0.243586 0.287943 0.999876 Mn\n0.215751 0.511796 0.246639 Mn\n0.784249 0.011796 0.253361 Mn\n0.284249 0.488204 0.746639 Mn\n0.715751 0.988204 0.753361 Mn\n0.784249 0.488204 0.753361 Mn\n0.215751 0.988204 0.746639 Mn\n0.715751 0.511796 0.253361 Mn\n0.284249 0.011796 0.246639 Mn\n0.148653 0.923250 0.125336 O\n0.851347 0.423250 0.374664 O\n0.351347 0.076750 0.625336 O\n0.648653 0.576750 0.874664 O\n0.851347 0.076750 0.874664 O\n0.148653 0.576750 0.625336 O\n0.648653 0.923250 0.374664 O\n0.351347 0.423250 0.125336 O\n0.093362 0.639767 0.352725 O\n0.906638 0.139767 0.147275 O\n0.406638 0.360233 0.852725 O\n0.593362 0.860233 0.647275 O\n0.906638 0.360233 0.647275 O\n0.093362 0.860233 0.852725 O\n0.593362 0.639767 0.147275 O\n0.406638 0.139767 0.352725 O\n0.377278 0.857900 0.416654 O\n0.622722 0.357900 0.083346 O\n0.122722 0.142100 0.916654 O\n0.877278 0.642100 0.583346 O\n0.622722 0.142100 0.583346 O\n0.377278 0.642100 0.916654 O\n0.877278 0.857900 0.083346 O\n0.122722 0.357900 0.416654 O\n0.361212 0.585850 0.372296 O\n0.638788 0.085850 0.127704 O\n0.138788 0.414150 0.872296 O\n0.861212 0.914150 0.627704 O\n0.638788 0.414150 0.627704 O\n0.361212 0.914150 0.872296 O\n0.861212 0.585850 0.127704 O\n0.138788 0.085850 0.372296 O\n0.419630 0.878812 0.146192 O\n0.580370 0.378812 0.353808 O\n0.080370 0.121188 0.646192 O\n0.919630 0.621188 0.853808 O\n0.580370 0.121188 0.853808 O\n0.419630 0.621188 0.646192 O\n0.919630 0.878812 0.353808 O\n0.080370 0.378812 0.146192 O\n0.138498 0.653634 0.088196 O\n0.861502 0.153634 0.411804 O\n0.361502 0.346366 0.588196 O\n0.638498 0.846366 0.911804 O\n0.861502 0.346366 0.911804 O\n0.138498 0.846366 0.588196 O\n0.638498 0.653634 0.411804 O\n0.361502 0.153634 0.088196 O\n",
"nsites": 80,
"nelements": 2,
"elements": [
"Mn",
"O"
],
"chemical_system": "Mn-O",
"density": 4.717691499808666,
"density_atomic": 0.0899785591558999,
"volume": 889.1007007723838,
"volume_molar": 6.69286196233242,
"formula_full": "Mn32 O48",
"formula_reduced": "Mn2O3",
"formula_anonymous": "A2B3",
"energy": -691.80020507,
"energy_per_atom": -8.647502563375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -605.44820507,
"band_gap": 0.0721000000000002,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 128.0030446,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:22.282000Z",
"spacegroup": 61
},
{
"id": "mp-766215",
"created_at": "2022-09-04T14:43:09.466269Z",
"structure_string": "Na5 Li1 Fe6 Si12 O36\n1.0\n4.436907 8.316966 0.000000\n-4.436907 8.316966 0.000000\n0.000000 3.322088 9.035201\nNa Li Fe Si O\n5 1 6 12 36\ndirect\n0.712220 0.620881 0.333220 Na\n0.954428 0.045572 0.500000 Na\n0.379119 0.287780 0.666780 Na\n0.621086 0.712355 0.833376 Na\n0.287645 0.378914 0.166624 Na\n0.033984 0.966016 0.000000 Li\n0.314892 0.018564 0.333582 Fe\n0.351825 0.648175 0.500000 Fe\n0.981436 0.685108 0.666418 Fe\n0.019074 0.313469 0.834101 Fe\n0.648136 0.351864 0.000000 Fe\n0.686531 0.980926 0.165899 Fe\n0.260219 0.939025 0.693171 Si\n0.071802 0.394481 0.475433 Si\n0.727183 0.405265 0.642679 Si\n0.940332 0.259654 0.190601 Si\n0.394139 0.072072 0.975808 Si\n0.594735 0.272817 0.357321 Si\n0.404766 0.727928 0.141575 Si\n0.605519 0.928198 0.524567 Si\n0.060975 0.739781 0.306829 Si\n0.272072 0.595234 0.858425 Si\n0.927928 0.605861 0.024192 Si\n0.740346 0.059668 0.809399 Si\n0.437475 0.950300 0.658847 O\n0.236511 0.226124 0.409112 O\n0.571846 0.912197 0.372955 O\n0.894943 0.383354 0.508393 O\n0.559113 0.569968 0.575912 O\n0.245281 0.904790 0.541080 O\n0.717019 0.227994 0.675399 O\n0.903626 0.891889 0.741650 O\n0.237895 0.579437 0.706707 O\n0.949379 0.437621 0.157719 O\n0.420563 0.762105 0.293293 O\n0.108111 0.096374 0.258350 O\n0.772006 0.282981 0.324601 O\n0.095210 0.754719 0.458920 O\n0.430032 0.440887 0.424088 O\n0.226208 0.236872 0.908872 O\n0.616646 0.105057 0.491607 O\n0.912186 0.570817 0.873137 O\n0.087803 0.428154 0.627045 O\n0.384449 0.894980 0.007621 O\n0.773876 0.763489 0.590888 O\n0.570068 0.558827 0.075829 O\n0.908221 0.238487 0.040254 O\n0.227062 0.719558 0.171770 O\n0.895533 0.905164 0.236517 O\n0.578979 0.237808 0.206186 O\n0.049700 0.562525 0.341153 O\n0.762192 0.421021 0.793814 O\n0.094836 0.104467 0.763483 O\n0.280442 0.772938 0.828230 O\n0.761513 0.091779 0.959746 O\n0.441173 0.429932 0.924171 O\n0.105020 0.615551 0.992379 O\n0.429183 0.087814 0.126863 O\n0.763128 0.773792 0.091128 O\n0.562379 0.050621 0.842281 O\n",
"nsites": 60,
"nelements": 5,
"elements": [
"Na",
"Li",
"Fe",
"Si",
"O"
],
"chemical_system": "Fe-Li-Na-O-Si",
"density": 3.4114991271632458,
"density_atomic": 0.0899783830453137,
"volume": 666.8268307264824,
"volume_molar": 6.6928750619659505,
"formula_full": "Na5 Li1 Fe6 Si12 O36",
"formula_reduced": "Na5LiFe6(SiO3)12",
"formula_anonymous": "AB5C6D12E36",
"energy": -466.46587378,
"energy_per_atom": -7.774431229666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -428.19787378,
"band_gap": 2.4298,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 30.0017112,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:00.569000Z",
"spacegroup": 5
},
{
"id": "mp-1245173",
"created_at": "2022-09-04T14:41:08.867549Z",
"structure_string": "Al40 O60\n1.0\n9.871488 0.264343 -0.402367\n0.262328 9.971027 -0.103559\n-0.401943 -0.118546 11.316575\nAl O\n40 60\ndirect\n0.273819 0.620851 0.341159 Al\n0.610364 0.961417 0.960964 Al\n0.932204 0.680837 0.672251 Al\n0.171021 0.369120 0.922693 Al\n0.318878 0.933170 0.916451 Al\n0.846781 0.172902 0.613708 Al\n0.281901 0.249735 0.641914 Al\n0.857099 0.039868 0.080600 Al\n0.320820 0.887399 0.205350 Al\n0.012859 0.414956 0.556939 Al\n0.889724 0.533674 0.027191 Al\n0.670993 0.294028 0.962507 Al\n0.768828 0.309994 0.387424 Al\n0.486183 0.803332 0.653121 Al\n0.039461 0.924045 0.760410 Al\n0.915810 0.309562 0.153298 Al\n0.878676 0.409765 0.785298 Al\n0.978359 0.103914 0.339902 Al\n0.545970 0.001106 0.304138 Al\n0.397967 0.184700 0.060856 Al\n0.496815 0.272478 0.289134 Al\n0.868804 0.797967 0.939212 Al\n0.714361 0.800158 0.476584 Al\n0.027166 0.810976 0.460686 Al\n0.216815 0.696312 0.608887 Al\n0.275592 0.968293 0.482535 Al\n0.721112 0.984796 0.705168 Al\n0.415599 0.452844 0.074381 Al\n0.600171 0.573269 0.285080 Al\n0.665906 0.563439 0.805265 Al\n0.175349 0.674133 0.049736 Al\n0.574284 0.538267 0.515946 Al\n0.398849 0.699439 0.861811 Al\n0.216590 0.314667 0.378275 Al\n0.106505 0.071759 0.002282 Al\n0.991433 0.545111 0.316667 Al\n0.388357 0.452341 0.758546 Al\n0.817990 0.825219 0.238580 Al\n0.585891 0.738571 0.104846 Al\n0.541260 0.239330 0.534246 Al\n0.498378 0.858098 0.195879 O\n0.219960 0.219410 0.997002 O\n0.878968 0.782493 0.544610 O\n0.561155 0.626625 0.658914 O\n0.995651 0.427067 0.909661 O\n0.939412 0.313688 0.667621 O\n0.326561 0.092044 0.587753 O\n0.713013 0.376046 0.826101 O\n0.911994 0.977680 0.229060 O\n0.497497 0.588305 0.140042 O\n0.446757 0.051303 0.953024 O\n0.092493 0.969117 0.428944 O\n0.671163 0.145028 0.641040 O\n0.659383 0.374654 0.519177 O\n0.629979 0.877539 0.598826 O\n0.499379 0.541088 0.866096 O\n0.995117 0.682503 0.033350 O\n0.708299 0.119763 0.995791 O\n0.817075 0.561984 0.715158 O\n0.371053 0.338431 0.177868 O\n0.783893 0.388751 0.052232 O\n0.897926 0.029465 0.700236 O\n0.243629 0.722032 0.204281 O\n0.494691 0.318905 0.988935 O\n0.706140 0.907518 0.839132 O\n0.402118 0.853350 0.779581 O\n0.674386 0.637779 0.432374 O\n0.169479 0.481732 0.329079 O\n0.164981 0.323894 0.532742 O\n0.259497 0.760996 0.943437 O\n0.503656 0.123326 0.189560 O\n0.250513 0.507674 0.003915 O\n0.911377 0.443294 0.420477 O\n0.061331 0.568849 0.624421 O\n0.951746 0.781063 0.800956 O\n0.168862 0.689304 0.452218 O\n0.840909 0.226770 0.261534 O\n0.443600 0.574995 0.389279 O\n0.246063 0.976677 0.081632 O\n0.766189 0.637623 0.932452 O\n0.949506 0.724922 0.325306 O\n0.110426 0.204757 0.303568 O\n0.160321 0.011183 0.851986 O\n0.441547 0.335988 0.648504 O\n0.882573 0.174073 0.467368 O\n0.363739 0.967842 0.348314 O\n0.702898 0.899626 0.350347 O\n0.630987 0.395010 0.291534 O\n0.307485 0.611650 0.726870 O\n0.349900 0.811617 0.548353 O\n0.105976 0.835405 0.637306 O\n0.962175 0.950097 0.978790 O\n0.970065 0.477068 0.171426 O\n0.520413 0.792449 0.965906 O\n0.249676 0.344135 0.783042 O\n0.976509 0.174348 0.067494 O\n0.721202 0.671631 0.204653 O\n0.599253 0.151401 0.398526 O\n0.393374 0.292833 0.415588 O\n0.744582 0.875321 0.074244 O\n",
"nsites": 100,
"nelements": 2,
"elements": [
"Al",
"O"
],
"chemical_system": "Al-O",
"density": 3.046847536341567,
"density_atomic": 0.08997800561313975,
"volume": 1111.3827131260255,
"volume_molar": 6.692903136675626,
"formula_full": "Al40 O60",
"formula_reduced": "Al2O3",
"formula_anonymous": "A2B3",
"energy": -773.96072967,
"energy_per_atom": -7.7396072967,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -732.74072967,
"band_gap": 3.8149,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0030954,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:07.870000Z",
"spacegroup": 1
},
{
"id": "mp-19884",
"created_at": "2022-09-04T14:44:55.256809Z",
"structure_string": "Mn12 P4\n1.0\n-4.470572 4.470572 2.224337\n4.470572 -4.470572 2.224337\n4.470572 4.470572 -2.224337\nMn P\n12 4\ndirect\n0.631274 0.957244 0.614834 Mn\n0.983560 0.368726 0.325970 Mn\n0.042756 0.657590 0.674030 Mn\n0.342410 0.016440 0.385166 Mn\n0.583684 0.536812 0.607232 Mn\n0.023548 0.416316 0.953128 Mn\n0.463188 0.070420 0.046872 Mn\n0.929580 0.976452 0.392768 Mn\n0.301644 0.324518 0.189217 Mn\n0.887574 0.698356 0.022874 Mn\n0.675482 0.864699 0.977126 Mn\n0.135301 0.112426 0.810783 Mn\n0.782970 0.532732 0.331428 P\n0.548458 0.217030 0.749762 P\n0.467268 0.798696 0.250238 P\n0.201304 0.451542 0.668572 P\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Mn",
"P"
],
"chemical_system": "Mn-P",
"density": 7.313212039232559,
"density_atomic": 0.08997735406127745,
"volume": 177.82252175479053,
"volume_molar": 6.692951601909442,
"formula_full": "Mn12 P4",
"formula_reduced": "Mn3P",
"formula_anonymous": "AB3",
"energy": -137.33990384,
"energy_per_atom": -8.58374399,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -137.33990384,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.4039474,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:41.492000Z",
"spacegroup": 82
},
{
"id": "mp-19313",
"created_at": "2022-09-04T14:44:56.549550Z",
"structure_string": "Zn2 Fe4 O8\n1.0\n5.228382 -0.001322 3.019734\n1.742498 4.928519 3.018087\n-1.741520 -4.929845 3.019687\nZn Fe O\n2 4 8\ndirect\n0.875000 0.750000 0.875000 Zn\n0.125000 0.250000 0.125000 Zn\n0.000000 0.000000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.500000 0.500000 0.500000 Fe\n0.739411 0.021139 0.739411 O\n0.739411 0.478861 0.739411 O\n0.260546 0.978864 0.718273 O\n0.260589 0.978861 0.260589 O\n0.260589 0.521139 0.260589 O\n0.739454 0.021136 0.281727 O\n0.281727 0.478864 0.739454 O\n0.718273 0.521136 0.260546 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Zn",
"Fe",
"O"
],
"chemical_system": "Fe-O-Zn",
"density": 5.1460318228408335,
"density_atomic": 0.08997675455525912,
"volume": 155.59574324723965,
"volume_molar": 6.692996196369261,
"formula_full": "Zn2 Fe4 O8",
"formula_reduced": "Zn(FeO2)2",
"formula_anonymous": "AB2C4",
"energy": -100.41362286,
"energy_per_atom": -7.172401632857143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -85.89362286,
"band_gap": 1.6686,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:50.584000Z",
"spacegroup": 227
},
{
"id": "mp-1215938",
"created_at": "2022-09-04T14:45:01.364236Z",
"structure_string": "Yb6 Y6 Al20 O48\n1.0\n-6.057592 6.057592 6.057592\n6.057592 -6.057592 6.057592\n6.057592 6.057592 -6.057592\nYb Y Al O\n6 6 20 48\ndirect\n0.875000 0.625000 0.250000 Yb\n0.625000 0.875000 0.750000 Yb\n0.625000 0.250000 0.875000 Yb\n0.875000 0.750000 0.625000 Yb\n0.250000 0.875000 0.625000 Yb\n0.750000 0.625000 0.875000 Yb\n0.125000 0.375000 0.750000 Y\n0.375000 0.125000 0.250000 Y\n0.375000 0.750000 0.125000 Y\n0.125000 0.250000 0.375000 Y\n0.750000 0.125000 0.375000 Y\n0.250000 0.375000 0.125000 Y\n0.375430 0.625430 0.750000 Al\n0.124570 0.874570 0.250000 Al\n0.625430 0.750000 0.375430 Al\n0.874570 0.250000 0.124570 Al\n0.750000 0.375430 0.625430 Al\n0.250000 0.124570 0.874570 Al\n0.625430 0.375430 0.250000 Al\n0.874570 0.124570 0.750000 Al\n0.375430 0.250000 0.625430 Al\n0.124570 0.750000 0.874570 Al\n0.250000 0.625430 0.375430 Al\n0.750000 0.874570 0.124570 Al\n0.998201 0.500000 0.000000 Al\n0.000000 0.998201 0.500000 Al\n0.500000 0.000000 0.998201 Al\n0.501799 0.501799 0.501799 Al\n0.501799 0.500000 0.000000 Al\n0.500000 0.000000 0.501799 Al\n0.000000 0.501799 0.500000 Al\n0.998201 0.998201 0.998201 Al\n0.381579 0.581155 0.901733 O\n0.179421 0.479846 0.598267 O\n0.320579 0.918845 0.300424 O\n0.118421 0.020154 0.199576 O\n0.581155 0.901733 0.381579 O\n0.479846 0.598267 0.179421 O\n0.918845 0.300424 0.320579 O\n0.020154 0.199576 0.118421 O\n0.901733 0.381579 0.581155 O\n0.598267 0.179421 0.479846 O\n0.300424 0.320579 0.918845 O\n0.199576 0.118421 0.020154 O\n0.613913 0.416179 0.096492 O\n0.819687 0.517421 0.403508 O\n0.680313 0.083821 0.697735 O\n0.886087 0.982579 0.802265 O\n0.416179 0.096492 0.613913 O\n0.517421 0.403508 0.819687 O\n0.083821 0.697735 0.680313 O\n0.982579 0.802265 0.886087 O\n0.096492 0.613913 0.416179 O\n0.403508 0.819687 0.517421 O\n0.697735 0.680313 0.083821 O\n0.802265 0.886087 0.982579 O\n0.886087 0.403508 0.083821 O\n0.680313 0.096492 0.982579 O\n0.819687 0.802265 0.416179 O\n0.613913 0.697735 0.517421 O\n0.083821 0.886087 0.403508 O\n0.982579 0.680313 0.096492 O\n0.416179 0.819687 0.802265 O\n0.517421 0.613913 0.697735 O\n0.403508 0.083821 0.886087 O\n0.096492 0.982579 0.680313 O\n0.802265 0.416179 0.819687 O\n0.697735 0.517421 0.613913 O\n0.118421 0.598267 0.918845 O\n0.320579 0.901733 0.020154 O\n0.179421 0.199576 0.581155 O\n0.381579 0.300424 0.479846 O\n0.918845 0.118421 0.598267 O\n0.020154 0.320579 0.901733 O\n0.581155 0.179421 0.199576 O\n0.479846 0.381579 0.300424 O\n0.598267 0.918845 0.118421 O\n0.901733 0.020154 0.320579 O\n0.199576 0.581155 0.179421 O\n0.300424 0.479846 0.381579 O\n",
"nsites": 80,
"nelements": 4,
"elements": [
"Yb",
"Y",
"Al",
"O"
],
"chemical_system": "Al-O-Y-Yb",
"density": 5.377402055702404,
"density_atomic": 0.08997667484984376,
"volume": 889.1193204628512,
"volume_molar": 6.693002125328547,
"formula_full": "Yb6 Y6 Al20 O48",
"formula_reduced": "Yb3Y3Al10O24",
"formula_anonymous": "A3B3C10D24",
"energy": -636.40518093,
"energy_per_atom": -7.9550647616250005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -603.42918093,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.0056906,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:47.105000Z",
"spacegroup": 214
}
]
}