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=-structure_string&page=10195",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-structure_string&page=10193",
"results": [
{
"id": "mp-850988",
"created_at": "2022-09-04T14:41:35.569543Z",
"structure_string": "Co6 O4 F8\n1.0\n5.507601 0.000000 0.000000\n1.718876 5.301071 0.000000\n2.025023 1.440819 6.689898\nCo O F\n6 4 8\ndirect\n0.694261 0.678089 0.840588 Co\n0.691785 0.632310 0.322183 Co\n0.308215 0.367690 0.677817 Co\n0.305739 0.321911 0.159412 Co\n0.000000 0.000000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.022303 0.666711 0.668279 O\n0.209857 0.235458 0.967884 O\n0.790143 0.764542 0.032116 O\n0.977697 0.333289 0.331721 O\n0.377256 0.942029 0.336681 F\n0.581844 0.574203 0.634080 F\n0.910010 0.889222 0.297320 F\n0.418156 0.425797 0.365920 F\n0.089990 0.110778 0.702680 F\n0.622744 0.057971 0.663319 F\n0.321022 0.703806 0.993694 F\n0.678978 0.296194 0.006306 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Co",
"O",
"F"
],
"chemical_system": "Co-F-O",
"density": 4.842406991972568,
"density_atomic": 0.09215670061797704,
"volume": 195.31949255232706,
"volume_molar": 6.5346748740104745,
"formula_full": "Co6 O4 F8",
"formula_reduced": "Co3(OF2)2",
"formula_anonymous": "A2B3C4",
"energy": -110.73918135,
"energy_per_atom": -6.152176741666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -94.46718135,
"band_gap": 0.0247000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.9993287,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:29.384000Z",
"spacegroup": 2
},
{
"id": "mp-754448",
"created_at": "2022-09-04T14:45:06.645367Z",
"structure_string": "Co6 O4 F8\n1.0\n4.716948 0.000000 0.000000\n0.346589 5.621715 0.000000\n0.444192 0.546915 7.659342\nCo O F\n6 4 8\ndirect\n0.513192 0.152750 0.835060 Co\n0.486808 0.847250 0.164940 Co\n0.500000 0.500000 0.500000 Co\n0.000000 0.000000 0.500000 Co\n0.017034 0.321591 0.158326 Co\n0.982966 0.678409 0.841674 Co\n0.699088 0.190247 0.608934 O\n0.679086 0.878035 0.941167 O\n0.300912 0.809753 0.391066 O\n0.320914 0.121965 0.058833 O\n0.806171 0.038443 0.268092 F\n0.802307 0.697379 0.600389 F\n0.801550 0.372317 0.933865 F\n0.698367 0.545690 0.256901 F\n0.301633 0.454310 0.743099 F\n0.198450 0.627683 0.066135 F\n0.193829 0.961557 0.731908 F\n0.197693 0.302621 0.399611 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Co",
"O",
"F"
],
"chemical_system": "Co-F-O",
"density": 4.656777631683388,
"density_atomic": 0.08862395555742443,
"volume": 203.1053555078208,
"volume_molar": 6.795161333210768,
"formula_full": "Co6 O4 F8",
"formula_reduced": "Co3(OF2)2",
"formula_anonymous": "A2B3C4",
"energy": -110.84768767,
"energy_per_atom": -6.158204870555555,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -94.57568767,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 17.7469406,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:48.127000Z",
"spacegroup": 2
},
{
"id": "mp-755334",
"created_at": "2022-09-04T14:45:56.280592Z",
"structure_string": "Co6 O4 F8\n1.0\n4.699984 0.000000 0.000000\n0.000000 5.657321 0.000000\n0.000000 0.384202 7.797560\nCo O F\n6 4 8\ndirect\n0.457508 0.846659 0.675878 Co\n0.542492 0.153341 0.324122 Co\n0.500000 0.500000 0.000000 Co\n0.000000 0.000000 0.000000 Co\n0.957508 0.653341 0.324122 Co\n0.042492 0.346659 0.675878 Co\n0.798601 0.963832 0.232742 O\n0.701399 0.463832 0.232742 O\n0.298601 0.536168 0.767258 O\n0.201399 0.036168 0.767258 O\n0.804452 0.300489 0.892699 F\n0.796725 0.636398 0.568313 F\n0.695548 0.800489 0.892699 F\n0.703275 0.136398 0.568313 F\n0.304452 0.199511 0.107301 F\n0.296725 0.863602 0.431687 F\n0.203275 0.363602 0.431687 F\n0.195548 0.699511 0.107301 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Co",
"O",
"F"
],
"chemical_system": "Co-F-O",
"density": 4.56184945415248,
"density_atomic": 0.08681736068602507,
"volume": 207.331803889973,
"volume_molar": 6.936562816945184,
"formula_full": "Co6 O4 F8",
"formula_reduced": "Co3(OF2)2",
"formula_anonymous": "A2B3C4",
"energy": -110.50956383,
"energy_per_atom": -6.139420212777778,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -94.23756383,
"band_gap": 0.1682999999999999,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 22.0000001,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:13.262000Z",
"spacegroup": 14
},
{
"id": "mp-754511",
"created_at": "2022-09-04T14:44:12.229839Z",
"structure_string": "Co6 O4 F8\n1.0\n4.676682 0.000000 0.000000\n0.174488 5.619625 0.000000\n0.211799 0.392122 7.691640\nCo O F\n6 4 8\ndirect\n0.520595 0.508762 0.003985 Co\n0.464289 0.184693 0.349836 Co\n0.505212 0.828372 0.663533 Co\n0.003561 0.340864 0.673249 Co\n0.004158 0.646791 0.304267 Co\n0.983575 0.989098 0.002816 Co\n0.796725 0.691871 0.096410 O\n0.698097 0.543733 0.770826 O\n0.299308 0.126340 0.580159 O\n0.316139 0.469807 0.222976 O\n0.805197 0.365505 0.431596 F\n0.800340 0.044460 0.770297 F\n0.693096 0.196149 0.110108 F\n0.707664 0.863263 0.429876 F\n0.295796 0.800591 0.895059 F\n0.199665 0.959209 0.233611 F\n0.214842 0.309531 0.908170 F\n0.191742 0.630961 0.553226 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Co",
"O",
"F"
],
"chemical_system": "Co-F-O",
"density": 4.678889081806913,
"density_atomic": 0.08904476246040491,
"volume": 202.14552212438065,
"volume_molar": 6.763048823537304,
"formula_full": "Co6 O4 F8",
"formula_reduced": "Co3(OF2)2",
"formula_anonymous": "A2B3C4",
"energy": -110.19966571999998,
"energy_per_atom": -6.122203651111111,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -93.92766572,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 15.9998467,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:30.078000Z",
"spacegroup": 1
},
{
"id": "mp-756874",
"created_at": "2022-09-04T14:40:21.112927Z",
"structure_string": "Co6 O4 F8\n1.0\n4.667532 0.000000 0.000000\n0.115545 5.616758 0.000000\n0.212216 0.423777 7.617526\nCo O F\n6 4 8\ndirect\n0.486302 0.508360 0.005481 Co\n0.493233 0.164894 0.335825 Co\n0.538257 0.824089 0.665973 Co\n0.970671 0.330843 0.674739 Co\n0.006154 0.671417 0.338227 Co\n0.973891 0.996638 0.977785 Co\n0.791348 0.019622 0.762447 O\n0.684522 0.547467 0.773446 O\n0.713070 0.849856 0.445784 O\n0.302223 0.479271 0.228556 O\n0.818086 0.359317 0.432296 F\n0.799093 0.711283 0.101205 F\n0.699485 0.211925 0.097541 F\n0.311166 0.113617 0.578681 F\n0.311380 0.811139 0.887800 F\n0.189130 0.970678 0.217598 F\n0.185251 0.297460 0.904515 F\n0.226738 0.632123 0.572102 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Co",
"O",
"F"
],
"chemical_system": "Co-F-O",
"density": 4.7360896370227925,
"density_atomic": 0.09013335630453047,
"volume": 199.70409111565777,
"volume_molar": 6.68136748359087,
"formula_full": "Co6 O4 F8",
"formula_reduced": "Co3(OF2)2",
"formula_anonymous": "A2B3C4",
"energy": -109.9541302,
"energy_per_atom": -6.1085627888888885,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -93.68213020000002,
"band_gap": 0.0430000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.0007327,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:56.227000Z",
"spacegroup": 1
},
{
"id": "mp-849985",
"created_at": "2022-09-04T14:48:26.639578Z",
"structure_string": "Co6 O4 F8\n1.0\n4.652105 0.000000 0.000000\n-0.014802 5.608290 0.000000\n-0.000247 -0.345673 7.812272\nCo O F\n6 4 8\ndirect\n0.546510 0.324240 0.823543 Co\n0.500000 0.000000 0.500000 Co\n0.453490 0.675760 0.176457 Co\n0.996276 0.159921 0.151120 Co\n0.000000 0.500000 0.500000 Co\n0.003724 0.840079 0.848880 Co\n0.200882 0.862972 0.072632 O\n0.289272 0.695804 0.408189 O\n0.710728 0.304196 0.591811 O\n0.799118 0.137028 0.927368 O\n0.196508 0.201326 0.389440 F\n0.213279 0.527945 0.741091 F\n0.309079 0.369078 0.062260 F\n0.304199 0.042585 0.730616 F\n0.695801 0.957415 0.269384 F\n0.690921 0.630922 0.937740 F\n0.803492 0.798674 0.610560 F\n0.786721 0.472055 0.258909 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Co",
"O",
"F"
],
"chemical_system": "Co-F-O",
"density": 4.640337285549104,
"density_atomic": 0.08831107643361993,
"volume": 203.8249416371899,
"volume_molar": 6.8192360496552356,
"formula_full": "Co6 O4 F8",
"formula_reduced": "Co3(OF2)2",
"formula_anonymous": "A2B3C4",
"energy": -110.29736176,
"energy_per_atom": -6.127631208888889,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -94.02536176,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 20.0585971,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:39.807000Z",
"spacegroup": 2
},
{
"id": "mp-754293",
"created_at": "2022-09-04T14:43:39.543288Z",
"structure_string": "Co6 O4 F8\n1.0\n4.582993 0.000000 0.000000\n0.000000 5.659017 0.000000\n0.000000 0.287983 7.727389\nCo O F\n6 4 8\ndirect\n0.495873 0.568478 0.649863 Co\n0.533344 0.900248 0.327446 Co\n0.478366 0.230092 0.999864 Co\n0.978366 0.769908 0.000136 Co\n0.995873 0.431522 0.350137 Co\n0.033344 0.099752 0.672554 Co\n0.201471 0.049504 0.899592 O\n0.197494 0.387701 0.565410 O\n0.701471 0.950496 0.100408 O\n0.697494 0.612299 0.434590 O\n0.196624 0.718051 0.226926 F\n0.297283 0.552481 0.895553 F\n0.305224 0.882672 0.554678 F\n0.294321 0.220873 0.240604 F\n0.696624 0.281949 0.773074 F\n0.805224 0.117328 0.445322 F\n0.794321 0.779127 0.759396 F\n0.797283 0.447519 0.104447 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Co",
"O",
"F"
],
"chemical_system": "Co-F-O",
"density": 4.719368695311778,
"density_atomic": 0.08981513711686881,
"volume": 200.41165195325738,
"volume_molar": 6.705039877814694,
"formula_full": "Co6 O4 F8",
"formula_reduced": "Co3(OF2)2",
"formula_anonymous": "A2B3C4",
"energy": -110.60055709,
"energy_per_atom": -6.1444753938888885,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -94.32855709,
"band_gap": 0.0,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 17.9974604,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:18.045000Z",
"spacegroup": 4
},
{
"id": "mp-763243",
"created_at": "2022-09-04T14:44:02.452236Z",
"structure_string": "Co6 O4 F8\n1.0\n4.533825 0.000000 0.000000\n0.000000 4.618065 0.000000\n0.000000 0.000000 9.380886\nCo O F\n6 4 8\ndirect\n0.995234 0.716368 0.826704 Co\n0.995234 0.716368 0.173296 Co\n0.028059 0.745399 0.500000 Co\n0.528059 0.254601 0.000000 Co\n0.495234 0.283632 0.673296 Co\n0.495234 0.283632 0.326704 Co\n0.196292 0.556542 0.669399 O\n0.196292 0.556542 0.330601 O\n0.696292 0.443458 0.169399 O\n0.696292 0.443458 0.830601 O\n0.195565 0.528564 0.000000 F\n0.695565 0.471436 0.500000 F\n0.307613 0.084296 0.500000 F\n0.292820 0.032760 0.837828 F\n0.292820 0.032760 0.162172 F\n0.807613 0.915704 0.000000 F\n0.792820 0.967240 0.662172 F\n0.792820 0.967240 0.337828 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Co",
"O",
"F"
],
"chemical_system": "Co-F-O",
"density": 4.815464912114439,
"density_atomic": 0.09164396114943851,
"volume": 196.4122870098166,
"volume_molar": 6.571235774259084,
"formula_full": "Co6 O4 F8",
"formula_reduced": "Co3(OF2)2",
"formula_anonymous": "A2B3C4",
"energy": -110.68252122,
"energy_per_atom": -6.149028956666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -94.41052122,
"band_gap": 0.1619999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 14.0170923,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:24.291000Z",
"spacegroup": 31
},
{
"id": "mp-752979",
"created_at": "2022-09-04T14:47:20.703734Z",
"structure_string": "Co6 O4 F8\n1.0\n3.475444 3.214286 0.000000\n-3.475444 3.214286 0.000000\n0.000000 0.193337 9.229221\nCo O F\n6 4 8\ndirect\n0.000000 0.000000 0.000000 Co\n0.034378 0.034378 0.331038 Co\n0.965622 0.965622 0.668962 Co\n0.501602 0.501602 0.155684 Co\n0.498398 0.498398 0.844316 Co\n0.500000 0.500000 0.500000 Co\n0.697786 0.697786 0.006740 O\n0.683062 0.683062 0.675305 O\n0.302214 0.302214 0.993260 O\n0.316938 0.316938 0.324695 O\n0.198446 0.811595 0.167812 F\n0.188405 0.801554 0.832188 F\n0.193249 0.806751 0.500000 F\n0.719277 0.719277 0.330114 F\n0.280723 0.280723 0.669886 F\n0.811595 0.198446 0.167812 F\n0.801554 0.188405 0.832188 F\n0.806751 0.193249 0.500000 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Co",
"O",
"F"
],
"chemical_system": "Co-F-O",
"density": 4.586876237746652,
"density_atomic": 0.08729364981392,
"volume": 206.20056600187758,
"volume_molar": 6.898715740305428,
"formula_full": "Co6 O4 F8",
"formula_reduced": "Co3(OF2)2",
"formula_anonymous": "A2B3C4",
"energy": -110.70019643999998,
"energy_per_atom": -6.1500109133333325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -94.42819644,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 21.9954854,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:01.051000Z",
"spacegroup": 12
},
{
"id": "mp-761251",
"created_at": "2022-09-04T14:46:06.475814Z",
"structure_string": "Co6 O4 F8\n1.0\n3.463393 4.432748 0.000000\n-3.463393 4.432748 0.000000\n0.000000 2.382454 6.565212\nCo O F\n6 4 8\ndirect\n0.668223 0.668223 0.839948 Co\n0.651686 0.651686 0.334660 Co\n0.348314 0.348314 0.665340 Co\n0.331777 0.331777 0.160052 Co\n0.000000 0.000000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.565104 0.565104 0.629831 O\n0.247628 0.247628 0.956255 O\n0.434896 0.434896 0.370169 O\n0.752372 0.752372 0.043745 O\n0.974643 0.359866 0.329750 F\n0.640134 0.025357 0.670250 F\n0.879394 0.879394 0.307274 F\n0.120606 0.120606 0.692726 F\n0.359866 0.974643 0.329750 F\n0.025357 0.640134 0.670250 F\n0.700610 0.299390 0.000000 F\n0.299390 0.700610 0.000000 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Co",
"O",
"F"
],
"chemical_system": "Co-F-O",
"density": 4.691949267778901,
"density_atomic": 0.08929331316063124,
"volume": 201.58284380846635,
"volume_molar": 6.744223667864883,
"formula_full": "Co6 O4 F8",
"formula_reduced": "Co3(OF2)2",
"formula_anonymous": "A2B3C4",
"energy": -110.19070364,
"energy_per_atom": -6.121705757777778,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -93.91870364,
"band_gap": 0.0821999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 21.9418561,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:23.446000Z",
"spacegroup": 12
},
{
"id": "mp-752609",
"created_at": "2022-09-04T14:46:02.108543Z",
"structure_string": "Co6 O4 F8\n1.0\n3.303893 3.314287 0.000000\n-3.303893 3.314287 0.000000\n0.000000 0.063440 9.383590\nCo O F\n6 4 8\ndirect\n0.956045 0.970015 0.827002 Co\n0.029985 0.043955 0.172998 Co\n0.982813 0.017187 0.500000 Co\n0.491885 0.508115 0.000000 Co\n0.524717 0.473900 0.672217 Co\n0.526100 0.475283 0.327783 Co\n0.794697 0.195618 0.665863 O\n0.804382 0.205303 0.334137 O\n0.304226 0.311291 0.166942 O\n0.688709 0.695774 0.833058 O\n0.801809 0.198191 0.000000 F\n0.280311 0.286977 0.829706 F\n0.310079 0.306166 0.499335 F\n0.693834 0.689921 0.500665 F\n0.713023 0.719689 0.170294 F\n0.185250 0.814750 0.000000 F\n0.200216 0.788079 0.665774 F\n0.211921 0.799784 0.334226 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Co",
"O",
"F"
],
"chemical_system": "Co-F-O",
"density": 4.602478503024782,
"density_atomic": 0.08759057927329475,
"volume": 205.50155221416568,
"volume_molar": 6.875329299067752,
"formula_full": "Co6 O4 F8",
"formula_reduced": "Co3(OF2)2",
"formula_anonymous": "A2B3C4",
"energy": -110.43117528,
"energy_per_atom": -6.135065293333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -94.15917528,
"band_gap": 0.4456000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 22.0002205,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:19.505000Z",
"spacegroup": 5
},
{
"id": "mp-763923",
"created_at": "2022-09-04T14:43:59.891841Z",
"structure_string": "Co6 O4 F8\n1.0\n3.207021 4.616245 0.000000\n-3.207021 4.616245 0.000000\n0.000000 3.067801 6.857901\nCo O F\n6 4 8\ndirect\n0.674727 0.645140 0.839047 Co\n0.647207 0.686799 0.336049 Co\n0.313201 0.352793 0.663951 Co\n0.354860 0.325273 0.160953 Co\n0.018064 0.981936 0.500000 Co\n0.011084 0.988916 0.000000 Co\n0.352970 0.998844 0.325387 O\n0.001156 0.647030 0.674613 O\n0.722609 0.277391 0.000000 O\n0.314142 0.685858 0.000000 O\n0.962685 0.375083 0.334622 F\n0.624917 0.037315 0.665378 F\n0.559460 0.570978 0.632329 F\n0.908273 0.906269 0.304932 F\n0.238285 0.226393 0.962127 F\n0.429022 0.440540 0.367671 F\n0.773607 0.761715 0.037873 F\n0.093731 0.091727 0.695068 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Co",
"O",
"F"
],
"chemical_system": "Co-F-O",
"density": 4.657952057670723,
"density_atomic": 0.08864630626530426,
"volume": 203.05414583354292,
"volume_molar": 6.793448045062017,
"formula_full": "Co6 O4 F8",
"formula_reduced": "Co3(OF2)2",
"formula_anonymous": "A2B3C4",
"energy": -110.41148693,
"energy_per_atom": -6.133971496111111,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -94.13948693,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 20.0101522,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:07.778000Z",
"spacegroup": 5
}
]
}