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=11501",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=nelements&page=11499",
"results": [
{
"id": "mp-1173706",
"created_at": "2022-09-04T14:41:12.620922Z",
"structure_string": "Na6 Tb2 Ti4 Nb4 O24\n1.0\n5.485772 0.000000 0.000000\n0.000000 5.635274 0.000000\n0.000000 0.000000 15.475280\nNa Tb Ti Nb O\n6 2 4 4 24\ndirect\n0.004616 0.979121 0.370748 Na\n0.004616 0.979121 0.879252 Na\n0.495384 0.479121 0.879252 Na\n0.495384 0.479121 0.370748 Na\n0.513275 0.526853 0.625000 Na\n0.986725 0.026853 0.625000 Na\n0.509042 0.563387 0.125000 Tb\n0.990958 0.063387 0.125000 Tb\n0.008913 0.526597 0.998363 Ti\n0.008913 0.526597 0.251637 Ti\n0.491087 0.026597 0.251637 Ti\n0.491087 0.026597 0.998363 Ti\n0.003665 0.514706 0.497971 Nb\n0.003665 0.514706 0.752029 Nb\n0.496335 0.014706 0.752029 Nb\n0.496335 0.014706 0.497971 Nb\n0.092080 0.464152 0.125000 O\n0.081207 0.479718 0.625000 O\n0.215227 0.210474 0.476683 O\n0.204534 0.195882 0.260437 O\n0.215227 0.210474 0.773317 O\n0.204534 0.195882 0.989563 O\n0.295466 0.695882 0.260437 O\n0.284773 0.710474 0.476683 O\n0.284773 0.710474 0.773317 O\n0.295466 0.695882 0.989563 O\n0.407920 0.964152 0.125000 O\n0.418793 0.979718 0.625000 O\n0.576116 0.007583 0.879774 O\n0.576116 0.007583 0.370226 O\n0.705177 0.279917 0.031641 O\n0.705177 0.279917 0.218359 O\n0.721691 0.268663 0.519269 O\n0.721691 0.268663 0.730731 O\n0.794823 0.779917 0.031641 O\n0.794823 0.779917 0.218359 O\n0.778309 0.768663 0.519269 O\n0.778309 0.768663 0.730731 O\n0.923884 0.507583 0.370226 O\n0.923884 0.507583 0.879774 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"Na",
"Tb",
"Ti",
"Nb",
"O"
],
"chemical_system": "Na-Nb-O-Tb-Ti",
"density": 4.869391965904393,
"density_atomic": 0.08361201406661956,
"volume": 478.4001491475758,
"volume_molar": 7.202482594429239,
"formula_full": "Na6 Tb2 Ti4 Nb4 O24",
"formula_reduced": "Na3TbTi2Nb2O12",
"formula_anonymous": "AB2C2D3E12",
"energy": -333.6142229,
"energy_per_atom": -8.3403555725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -317.1262229,
"band_gap": 2.5137,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0024728,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:09.340000Z",
"spacegroup": 26
},
{
"id": "mp-775992",
"created_at": "2022-09-04T14:41:09.660656Z",
"structure_string": "Ti1 Ni3 Sb2 P6 O24\n1.0\n7.497399 -4.360427 0.000000\n7.497399 4.360427 0.000000\n4.961410 0.000000 7.113981\nTi Ni Sb P O\n1 3 2 6 24\ndirect\n0.856258 0.856258 0.856258 Ti\n0.151745 0.151745 0.151745 Ni\n0.347974 0.347974 0.347974 Ni\n0.648115 0.648115 0.648115 Ni\n0.012488 0.012488 0.012488 Sb\n0.501933 0.501933 0.501933 Sb\n0.540447 0.246457 0.952237 P\n0.952237 0.540447 0.246457 P\n0.246457 0.952237 0.540447 P\n0.748910 0.044765 0.461099 P\n0.044765 0.461099 0.748910 P\n0.461099 0.748910 0.044765 P\n0.310013 0.099628 0.515162 O\n0.515162 0.310013 0.099628 O\n0.904622 0.076836 0.263105 O\n0.099628 0.515162 0.310013 O\n0.821891 0.989792 0.616315 O\n0.589040 0.248468 0.455518 O\n0.076836 0.263105 0.904622 O\n0.248468 0.455518 0.589040 O\n0.388949 0.188048 0.982170 O\n0.455518 0.589040 0.248468 O\n0.739353 0.090875 0.918611 O\n0.982170 0.388949 0.188048 O\n0.989792 0.616315 0.821891 O\n0.263105 0.904622 0.076836 O\n0.563151 0.409675 0.745847 O\n0.616315 0.821891 0.989792 O\n0.745847 0.563151 0.409675 O\n0.918611 0.739353 0.090875 O\n0.409675 0.745847 0.563151 O\n0.188048 0.982170 0.388949 O\n0.904339 0.490697 0.675469 O\n0.090875 0.918611 0.739353 O\n0.490697 0.675469 0.904339 O\n0.675469 0.904339 0.490697 O\n",
"nsites": 36,
"nelements": 5,
"elements": [
"Ti",
"Ni",
"Sb",
"P",
"O"
],
"chemical_system": "Ni-O-P-Sb-Ti",
"density": 3.703132034485176,
"density_atomic": 0.07739629300117006,
"volume": 465.13855643519986,
"volume_molar": 7.780916277099938,
"formula_full": "Ti1 Ni3 Sb2 P6 O24",
"formula_reduced": "TiNi3Sb2(PO4)6",
"formula_anonymous": "AB2C3D6E24",
"energy": -268.36476619,
"energy_per_atom": -7.4545768386111115,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -244.25376619,
"band_gap": 0.5878000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.0362653,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:16.777000Z",
"spacegroup": 146
},
{
"id": "mp-1379859",
"created_at": "2022-09-04T14:41:06.619002Z",
"structure_string": "Sr2 Ca2 Fe2 P4 O16\n1.0\n5.730339 0.000000 0.000000\n-1.003286 6.891831 0.000000\n-1.909422 -3.483934 8.714874\nSr Ca Fe P O\n2 2 2 4 16\ndirect\n0.209256 0.748248 0.059951 Sr\n0.790744 0.251752 0.940049 Sr\n0.346581 0.756404 0.662773 Ca\n0.653419 0.243596 0.337227 Ca\n0.076644 0.289549 0.557347 Fe\n0.923356 0.710451 0.442653 Fe\n0.163429 0.192021 0.222822 P\n0.836571 0.807979 0.777178 P\n0.543921 0.735802 0.298175 P\n0.456079 0.264198 0.701825 P\n0.971061 0.683079 0.878427 O\n0.449503 0.290689 0.162778 O\n0.888924 0.038034 0.763692 O\n0.266020 0.406432 0.689921 O\n0.550497 0.709311 0.837222 O\n0.425614 0.135938 0.597766 O\n0.574386 0.864062 0.402234 O\n0.392776 0.127739 0.870183 O\n0.111076 0.961966 0.236308 O\n0.607224 0.872261 0.129817 O\n0.028939 0.316921 0.121573 O\n0.033074 0.200703 0.385444 O\n0.966926 0.799297 0.614556 O\n0.266932 0.595230 0.367029 O\n0.733980 0.593568 0.310079 O\n0.733068 0.404770 0.632971 O\n",
"nsites": 26,
"nelements": 5,
"elements": [
"Sr",
"Ca",
"Fe",
"P",
"O"
],
"chemical_system": "Ca-Fe-O-P-Sr",
"density": 3.603935854792603,
"density_atomic": 0.07554353461604832,
"volume": 344.17240511905584,
"volume_molar": 7.971748728210382,
"formula_full": "Sr2 Ca2 Fe2 P4 O16",
"formula_reduced": "SrCaFe(PO4)2",
"formula_anonymous": "ABCD2E8",
"energy": -118.70624195,
"energy_per_atom": -4.565624690384616,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -103.20224195,
"band_gap": 0.0149000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.36e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:12.985000Z",
"spacegroup": 2
},
{
"id": "mp-735790",
"created_at": "2022-09-04T14:41:12.629624Z",
"structure_string": "Li14 Mn22 Cr3 Cu3 O56\n1.0\n2.960540 5.131463 0.000000\n-2.960540 5.131463 0.000000\n0.000000 3.597750 33.663345\nLi Mn Cr Cu O\n14 22 3 3 56\ndirect\n0.159654 0.159654 0.019003 Li\n0.444966 0.444966 0.162249 Li\n0.731916 0.731916 0.305036 Li\n0.125980 0.125980 0.123399 Li\n0.012007 0.012007 0.447184 Li\n0.411713 0.411713 0.266352 Li\n0.299908 0.299908 0.588103 Li\n0.696141 0.696141 0.411174 Li\n0.585337 0.585337 0.731336 Li\n0.870290 0.870290 0.874809 Li\n0.989338 0.989338 0.554230 Li\n0.271865 0.271865 0.697264 Li\n0.558133 0.558133 0.839239 Li\n0.843953 0.843953 0.980962 Li\n0.640540 0.145171 0.071612 Mn\n0.145171 0.640540 0.071612 Mn\n0.641471 0.641471 0.071682 Mn\n0.929462 0.425901 0.214005 Mn\n0.785670 0.785670 0.142828 Mn\n0.929222 0.929222 0.214190 Mn\n0.212800 0.716352 0.357550 Mn\n0.425901 0.929462 0.214005 Mn\n0.212451 0.212451 0.357422 Mn\n0.500109 0.999582 0.500023 Mn\n0.999582 0.500109 0.500023 Mn\n0.353900 0.353900 0.428844 Mn\n0.716352 0.212800 0.357550 Mn\n0.786528 0.286217 0.642751 Mn\n0.643570 0.643570 0.571096 Mn\n0.071039 0.571458 0.785723 Mn\n0.286217 0.786528 0.642751 Mn\n0.928660 0.928660 0.714242 Mn\n0.855113 0.358087 0.928329 Mn\n0.215143 0.215143 0.857165 Mn\n0.571458 0.071039 0.785723 Mn\n0.358087 0.855113 0.928329 Mn\n0.786059 0.786059 0.642838 Cr\n0.071321 0.071321 0.785740 Cr\n0.358305 0.358305 0.928451 Cr\n0.500878 0.500878 0.999909 Cu\n0.071391 0.071391 0.285786 Cu\n0.499741 0.499741 0.499762 Cu\n0.333415 0.333415 0.041206 O\n0.471686 0.471686 0.103675 O\n0.789954 0.337598 0.040841 O\n0.337598 0.789954 0.040841 O\n0.943301 0.502262 0.105106 O\n0.625977 0.625977 0.180137 O\n0.813734 0.813734 0.040749 O\n0.737600 0.737600 0.245041 O\n0.068456 0.622654 0.180553 O\n0.502262 0.943301 0.105106 O\n0.622654 0.068456 0.180553 O\n0.944891 0.944891 0.105480 O\n0.906825 0.906825 0.326804 O\n0.240703 0.780683 0.244617 O\n0.119678 0.119678 0.182097 O\n0.780683 0.240703 0.244617 O\n0.362778 0.908771 0.326748 O\n0.043845 0.043845 0.389172 O\n0.908771 0.362778 0.326748 O\n0.236292 0.236292 0.244840 O\n0.512640 0.073726 0.391479 O\n0.192388 0.192388 0.466453 O\n0.073726 0.512640 0.391479 O\n0.384232 0.384232 0.326389 O\n0.636584 0.181389 0.463776 O\n0.318077 0.318077 0.529084 O\n0.514736 0.514736 0.391705 O\n0.181389 0.636584 0.463776 O\n0.817951 0.362675 0.535701 O\n0.481665 0.481665 0.606113 O\n0.681956 0.681956 0.470573 O\n0.362675 0.817951 0.535701 O\n0.604339 0.604339 0.672327 O\n0.926017 0.481197 0.608111 O\n0.807267 0.807267 0.533877 O\n0.481197 0.926017 0.608111 O\n0.092331 0.646999 0.677609 O\n0.765762 0.765762 0.749168 O\n0.967598 0.967598 0.613207 O\n0.646999 0.092331 0.677609 O\n0.889753 0.889753 0.815408 O\n0.210275 0.765388 0.750972 O\n0.091547 0.091547 0.679184 O\n0.765388 0.210275 0.750972 O\n0.376809 0.932258 0.820495 O\n0.053113 0.053113 0.894215 O\n0.932258 0.376809 0.820495 O\n0.252911 0.252911 0.756217 O\n0.494770 0.049477 0.893704 O\n0.175584 0.175584 0.958228 O\n0.377204 0.377204 0.822263 O\n0.049477 0.494770 0.893704 O\n0.673888 0.211196 0.960071 O\n0.538755 0.538755 0.898120 O\n0.211196 0.673888 0.960071 O\n0.669094 0.669094 0.958423 O\n",
"nsites": 98,
"nelements": 5,
"elements": [
"Li",
"Mn",
"Cr",
"Cu",
"O"
],
"chemical_system": "Cr-Cu-Li-Mn-O",
"density": 4.137308677048747,
"density_atomic": 0.09581349383770449,
"volume": 1022.8204407825808,
"volume_molar": 6.285274149589741,
"formula_full": "Li14 Mn22 Cr3 Cu3 O56",
"formula_reduced": "Li14Mn22Cr3Cu3O56",
"formula_anonymous": "A3B3C14D22E56",
"energy": -743.09667239,
"energy_per_atom": -7.582619106020408,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -661.93167239,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 79.862872,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:20.745000Z",
"spacegroup": 8
},
{
"id": "mp-1522600",
"created_at": "2022-09-04T14:41:06.113044Z",
"structure_string": "Ba1 Li1 Nb1 Bi1 O6\n1.0\n0.000000 -4.235953 -4.235953\n4.235953 0.000000 -4.235953\n4.235953 -4.235953 -0.000000\nBa Li Nb Bi O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Li\n0.500000 0.500000 0.500000 Nb\n-0.000000 0.000000 0.000000 Bi\n0.736964 0.263036 0.263036 O\n0.263036 0.736964 0.736964 O\n0.736964 0.263036 0.736964 O\n0.263036 0.736964 0.263036 O\n0.736964 0.736964 0.263036 O\n0.263036 0.263036 0.736964 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Li",
"Nb",
"Bi",
"O"
],
"chemical_system": "Ba-Bi-Li-Nb-O",
"density": 5.922241467661847,
"density_atomic": 0.06578344391926537,
"volume": 152.01393244587177,
"volume_molar": 9.154492986701708,
"formula_full": "Ba1 Li1 Nb1 Bi1 O6",
"formula_reduced": "BaLiNbBiO6",
"formula_anonymous": "ABCDE6",
"energy": -71.53624925,
"energy_per_atom": -7.153624925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -67.41424925,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004372,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:09.965000Z",
"spacegroup": 216
},
{
"id": "mp-1209084",
"created_at": "2022-09-04T14:41:12.573298Z",
"structure_string": "Sb2 P2 N4 O8 F2\n1.0\n6.566394 0.000000 0.000000\n0.000000 6.566394 0.000000\n-3.283197 -3.283197 8.182058\nSb P N O F\n2 2 4 8 2\ndirect\n0.198387 0.198387 0.396775 Sb\n0.801613 0.801613 0.603225 Sb\n0.250000 0.750000 0.500000 P\n0.750000 0.250000 0.500000 P\n0.204875 0.344145 0.000000 N\n0.795125 0.655855 0.000000 N\n0.655855 0.204875 0.000000 N\n0.344145 0.795125 0.000000 N\n0.245332 0.510441 0.385210 O\n0.754668 0.489559 0.614790 O\n0.139878 0.874769 0.385210 O\n0.874769 0.245332 0.385210 O\n0.860122 0.125231 0.614790 O\n0.125231 0.754668 0.614790 O\n0.510441 0.139878 0.385210 O\n0.489559 0.860122 0.614790 O\n0.083636 0.083636 0.167272 F\n0.916364 0.916364 0.832728 F\n",
"nsites": 18,
"nelements": 5,
"elements": [
"Sb",
"P",
"N",
"O",
"F"
],
"chemical_system": "F-N-O-P-Sb",
"density": 2.4828122380881505,
"density_atomic": 0.05102183518204802,
"volume": 352.7901326123464,
"volume_molar": 11.80306576294787,
"formula_full": "Sb2 P2 N4 O8 F2",
"formula_reduced": "SbPN2O4F",
"formula_anonymous": "ABCD2E4",
"energy": -106.74579793,
"energy_per_atom": -5.930322107222222,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -100.32579793,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 11.0743884,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:15.310000Z",
"spacegroup": 87
},
{
"id": "mp-707771",
"created_at": "2022-09-04T14:41:05.156380Z",
"structure_string": "H12 Ru12 C40 Cl4 O36\n1.0\n6.704245 0.000000 0.000000\n0.000000 14.617131 0.000000\n0.000000 0.000000 17.593144\nH Ru C Cl O\n12 12 40 4 36\ndirect\n0.067037 0.250000 0.573393 H\n0.432963 0.250000 0.073393 H\n0.932963 0.750000 0.426607 H\n0.567037 0.750000 0.926607 H\n0.053579 0.334672 0.697276 H\n0.446421 0.165328 0.197276 H\n0.946421 0.834672 0.302724 H\n0.553579 0.665328 0.802724 H\n0.946421 0.665328 0.302724 H\n0.553579 0.834672 0.802724 H\n0.053579 0.165328 0.697276 H\n0.446421 0.334672 0.197276 H\n0.195999 0.349232 0.609719 Ru\n0.304001 0.150768 0.109719 Ru\n0.804001 0.849232 0.390281 Ru\n0.695999 0.650768 0.890281 Ru\n0.804001 0.650768 0.390281 Ru\n0.695999 0.849232 0.890281 Ru\n0.195999 0.150768 0.609719 Ru\n0.304001 0.349232 0.109719 Ru\n0.191179 0.250000 0.752248 Ru\n0.308821 0.250000 0.252248 Ru\n0.808821 0.750000 0.247752 Ru\n0.691179 0.750000 0.747752 Ru\n0.941729 0.250000 0.813467 C\n0.558271 0.250000 0.313467 C\n0.058271 0.750000 0.186533 C\n0.441729 0.750000 0.686533 C\n0.330595 0.342384 0.807227 C\n0.169405 0.157616 0.307227 C\n0.669405 0.842384 0.192773 C\n0.830595 0.657616 0.692773 C\n0.669405 0.657616 0.192773 C\n0.830595 0.842384 0.692773 C\n0.330595 0.157616 0.807227 C\n0.169405 0.342384 0.307227 C\n0.325296 0.454258 0.651385 C\n0.174704 0.045742 0.151385 C\n0.674704 0.954258 0.348615 C\n0.825296 0.545742 0.848615 C\n0.674704 0.545742 0.348615 C\n0.825296 0.954258 0.848615 C\n0.325296 0.045742 0.651385 C\n0.174704 0.454258 0.151385 C\n0.344658 0.360398 0.517859 C\n0.155342 0.139602 0.017859 C\n0.655342 0.860398 0.482141 C\n0.844658 0.639602 0.982141 C\n0.655342 0.639602 0.482141 C\n0.844658 0.860398 0.982141 C\n0.344658 0.139602 0.517859 C\n0.155342 0.360398 0.017859 C\n0.950811 0.410935 0.573751 C\n0.549189 0.089065 0.073751 C\n0.049189 0.910935 0.426249 C\n0.450811 0.589065 0.926249 C\n0.049189 0.589065 0.426249 C\n0.450811 0.910935 0.926249 C\n0.950811 0.089065 0.573751 C\n0.549189 0.410935 0.073751 C\n0.383019 0.250000 0.658340 C\n0.116981 0.250000 0.158340 C\n0.616981 0.750000 0.341660 C\n0.883019 0.750000 0.841660 C\n0.642461 0.250000 0.658925 Cl\n0.857539 0.250000 0.158925 Cl\n0.357539 0.750000 0.341075 Cl\n0.142461 0.750000 0.841075 Cl\n0.796710 0.250000 0.848859 O\n0.703290 0.250000 0.348859 O\n0.203290 0.750000 0.151141 O\n0.296710 0.750000 0.651141 O\n0.422129 0.397359 0.839462 O\n0.077871 0.102641 0.339462 O\n0.577871 0.897359 0.160538 O\n0.922129 0.602641 0.660538 O\n0.577871 0.602641 0.160538 O\n0.922129 0.897359 0.660538 O\n0.422129 0.102641 0.839462 O\n0.077871 0.397359 0.339462 O\n0.407214 0.516331 0.677852 O\n0.092786 0.983669 0.177852 O\n0.592786 0.016331 0.322148 O\n0.907214 0.483669 0.822148 O\n0.592786 0.483669 0.322148 O\n0.907214 0.016331 0.822148 O\n0.407214 0.983669 0.677852 O\n0.092786 0.516331 0.177852 O\n0.439226 0.365810 0.462948 O\n0.060774 0.134190 0.962948 O\n0.560774 0.865810 0.537052 O\n0.939226 0.634190 0.037052 O\n0.560774 0.634190 0.537052 O\n0.939226 0.865810 0.037052 O\n0.439226 0.134190 0.462948 O\n0.060774 0.365810 0.962948 O\n0.808348 0.445618 0.550428 O\n0.691652 0.054382 0.050428 O\n0.191652 0.945618 0.449572 O\n0.308348 0.554382 0.949572 O\n0.191652 0.554382 0.449572 O\n0.308348 0.945618 0.949572 O\n0.808348 0.054382 0.550428 O\n0.691652 0.445618 0.050428 O\n",
"nsites": 104,
"nelements": 5,
"elements": [
"H",
"Ru",
"C",
"Cl",
"O"
],
"chemical_system": "C-Cl-H-O-Ru",
"density": 2.3338588286030864,
"density_atomic": 0.060322296355798985,
"volume": 1724.072296362473,
"volume_molar": 9.983275047222355,
"formula_full": "H12 Ru12 C40 Cl4 O36",
"formula_reduced": "H3Ru3C10ClO9",
"formula_anonymous": "AB3C3D9E10",
"energy": -790.3137436000001,
"energy_per_atom": -7.5991706115384625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -760.9777436,
"band_gap": 2.4491,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1680718,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:12.958000Z",
"spacegroup": 62
},
{
"id": "mp-1202611",
"created_at": "2022-09-04T14:41:06.916582Z",
"structure_string": "Mn2 H40 C44 N20 O12\n1.0\n11.452234 0.000000 0.000000\n0.000000 7.343934 0.000000\n0.000000 3.909276 15.225037\nMn H C N O\n2 40 44 20 12\ndirect\n0.342269 0.500000 0.750000 Mn\n0.657731 0.500000 0.250000 Mn\n0.325589 0.664347 0.889490 H\n0.325589 0.335653 0.610510 H\n0.674411 0.335653 0.110510 H\n0.674411 0.664347 0.389490 H\n0.319098 0.439177 0.930774 H\n0.319098 0.560823 0.569226 H\n0.680902 0.560823 0.069226 H\n0.680902 0.439177 0.430774 H\n0.540981 0.334446 0.877478 H\n0.540981 0.665554 0.622522 H\n0.459019 0.665554 0.122522 H\n0.459019 0.334446 0.377478 H\n0.929140 0.430495 0.892466 H\n0.929140 0.569505 0.607534 H\n0.070860 0.569505 0.107534 H\n0.070860 0.430495 0.392466 H\n0.755983 0.328536 0.883676 H\n0.755983 0.671464 0.616324 H\n0.244017 0.671464 0.116324 H\n0.244017 0.328536 0.383676 H\n0.142351 0.431902 0.886064 H\n0.142351 0.568098 0.613936 H\n0.857649 0.568098 0.113936 H\n0.857649 0.431902 0.386064 H\n0.525116 0.885781 0.803417 H\n0.525116 0.114219 0.696583 H\n0.474884 0.114219 0.196583 H\n0.474884 0.885781 0.303417 H\n0.531640 0.701989 0.957106 H\n0.531640 0.298011 0.542894 H\n0.468360 0.298011 0.042894 H\n0.468360 0.701989 0.457106 H\n0.897810 0.973550 0.821560 H\n0.897810 0.026450 0.678440 H\n0.102190 0.026450 0.178440 H\n0.102190 0.973550 0.321560 H\n0.888935 0.783238 0.973071 H\n0.888935 0.216762 0.526929 H\n0.111065 0.216762 0.026929 H\n0.111065 0.783238 0.473071 H\n0.591585 0.408603 0.820836 C\n0.591585 0.591397 0.679164 C\n0.408415 0.591397 0.179164 C\n0.408415 0.408603 0.320836 C\n0.777665 0.500000 0.750000 C\n0.222335 0.500000 0.250000 C\n0.906840 0.500000 0.750000 C\n0.093160 0.500000 0.250000 C\n0.971310 0.461396 0.828373 C\n0.971310 0.538604 0.671627 C\n0.028690 0.538604 0.171627 C\n0.028690 0.461396 0.328373 C\n0.712877 0.405899 0.823751 C\n0.712877 0.594101 0.676249 C\n0.287123 0.594101 0.176249 C\n0.287123 0.405899 0.323751 C\n0.092505 0.462000 0.825395 C\n0.092505 0.538000 0.674605 C\n0.907495 0.538000 0.174605 C\n0.907495 0.462000 0.325395 C\n0.608026 0.870047 0.838347 C\n0.608026 0.129953 0.661653 C\n0.391974 0.129953 0.161653 C\n0.391974 0.870047 0.338347 C\n0.611472 0.765476 0.925059 C\n0.611472 0.234524 0.574941 C\n0.388528 0.234524 0.074941 C\n0.388528 0.765476 0.425059 C\n0.813850 0.915251 0.847411 C\n0.813850 0.084749 0.652589 C\n0.186150 0.084749 0.152589 C\n0.186150 0.915251 0.347411 C\n0.711587 0.946318 0.796586 C\n0.711587 0.053682 0.703414 C\n0.288413 0.053682 0.203414 C\n0.288413 0.946318 0.296586 C\n0.809104 0.808154 0.933992 C\n0.809104 0.191846 0.566008 C\n0.190896 0.191846 0.066008 C\n0.190896 0.808154 0.433992 C\n0.300734 0.075328 0.849123 C\n0.300734 0.924672 0.650877 C\n0.699266 0.924672 0.150877 C\n0.699266 0.075328 0.349123 C\n0.157403 0.886645 0.918144 N\n0.157403 0.113355 0.581856 N\n0.842597 0.113355 0.081856 N\n0.842597 0.886645 0.418144 N\n0.529623 0.500000 0.750000 N\n0.470377 0.500000 0.250000 N\n0.154430 0.500000 0.750000 N\n0.845570 0.500000 0.250000 N\n0.332130 0.221454 0.805506 N\n0.332130 0.778546 0.694494 N\n0.667870 0.778546 0.194494 N\n0.667870 0.221454 0.305506 N\n0.275536 0.908086 0.899159 N\n0.275536 0.091914 0.600841 N\n0.724464 0.091914 0.100841 N\n0.724464 0.908086 0.399159 N\n0.709840 0.731756 0.973019 N\n0.709840 0.268244 0.526981 N\n0.290160 0.268244 0.026981 N\n0.290160 0.731756 0.473019 N\n0.348999 0.541317 0.879467 O\n0.348999 0.458683 0.620533 O\n0.651001 0.458683 0.120533 O\n0.651001 0.541317 0.379467 O\n0.128390 0.732945 0.967984 O\n0.128390 0.267055 0.532016 O\n0.871610 0.267055 0.032016 O\n0.871610 0.732945 0.467984 O\n0.087249 0.015744 0.885976 O\n0.087249 0.984256 0.614024 O\n0.912751 0.984256 0.114024 O\n0.912751 0.015744 0.385976 O\n",
"nsites": 118,
"nelements": 5,
"elements": [
"Mn",
"H",
"C",
"N",
"O"
],
"chemical_system": "C-H-Mn-N-O",
"density": 1.4923418854464596,
"density_atomic": 0.09215198023599555,
"volume": 1280.4933729889392,
"volume_molar": 6.535009605412351,
"formula_full": "Mn2 H40 C44 N20 O12",
"formula_reduced": "MnH20C22(N5O3)2",
"formula_anonymous": "AB6C10D20E22",
"energy": -803.8522431700001,
"energy_per_atom": -6.812307145508475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -792.27224317,
"band_gap": 0.9574,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.9987652,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:12.883000Z",
"spacegroup": 13
},
{
"id": "mp-777890",
"created_at": "2022-09-04T14:41:13.178328Z",
"structure_string": "Ti3 Ni1 Sn2 P6 O24\n1.0\n7.934517 -4.308982 0.000000\n7.934517 4.308982 0.000000\n5.594447 0.000000 7.087034\nTi Ni Sn P O\n3 1 2 6 24\ndirect\n0.855598 0.855598 0.855598 Ti\n0.647964 0.647964 0.647964 Ti\n0.348025 0.348025 0.348025 Ti\n0.150279 0.150279 0.150279 Ni\n0.014100 0.014100 0.014100 Sn\n0.496576 0.496576 0.496576 Sn\n0.535418 0.958005 0.249836 P\n0.249836 0.535418 0.958005 P\n0.038061 0.747097 0.465994 P\n0.747097 0.465994 0.038061 P\n0.465994 0.038061 0.747097 P\n0.958005 0.249836 0.535418 P\n0.503749 0.875161 0.703479 O\n0.875161 0.703479 0.503749 O\n0.717611 0.936731 0.073760 O\n0.703479 0.503749 0.875161 O\n0.370647 0.973906 0.232647 O\n0.577535 0.778134 0.421868 O\n0.073760 0.717611 0.936731 O\n0.421868 0.577535 0.778134 O\n0.006008 0.783469 0.630696 O\n0.778134 0.421868 0.577535 O\n0.057745 0.919002 0.281499 O\n0.783469 0.630696 0.006008 O\n0.232647 0.370647 0.973906 O\n0.936731 0.073760 0.717611 O\n0.222318 0.571069 0.441972 O\n0.973906 0.232647 0.370647 O\n0.571069 0.441972 0.222318 O\n0.919002 0.281499 0.057745 O\n0.441972 0.222318 0.571069 O\n0.630696 0.006008 0.783469 O\n0.279730 0.502944 0.131364 O\n0.281499 0.057745 0.919002 O\n0.131364 0.279730 0.502944 O\n0.502944 0.131364 0.279730 O\n",
"nsites": 36,
"nelements": 5,
"elements": [
"Ti",
"Ni",
"Sn",
"P",
"O"
],
"chemical_system": "Ni-O-P-Sn-Ti",
"density": 3.4592667167305464,
"density_atomic": 0.07428699893028465,
"volume": 484.60700416481416,
"volume_molar": 8.10658775656227,
"formula_full": "Ti3 Ni1 Sn2 P6 O24",
"formula_reduced": "Ti3NiSn2(PO4)6",
"formula_anonymous": "AB2C3D6E24",
"energy": -287.69465387,
"energy_per_atom": -7.991518163055556,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -268.66565387,
"band_gap": 2.0712,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9998665,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:17.780000Z",
"spacegroup": 146
},
{
"id": "mp-1522631",
"created_at": "2022-09-04T14:41:06.889697Z",
"structure_string": "K1 Tb1 Nd1 Sb1 O6\n1.0\n0.000000 -4.186147 -4.186147\n4.186147 0.000000 -4.186147\n4.186147 -4.186147 0.000000\nK Tb Nd Sb O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.500000 0.500000 0.500000 Tb\n0.250000 0.250000 0.250000 Nd\n0.000000 0.000000 0.000000 Sb\n0.762998 0.237002 0.237002 O\n0.237002 0.762998 0.762998 O\n0.762998 0.237002 0.762998 O\n0.237002 0.762998 0.237002 O\n0.762998 0.762998 0.237002 O\n0.237002 0.237002 0.762998 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"K",
"Tb",
"Nd",
"Sb",
"O"
],
"chemical_system": "K-Nd-O-Sb-Tb",
"density": 6.338416948275493,
"density_atomic": 0.0681595288458297,
"volume": 146.71462918441,
"volume_molar": 8.835361484997211,
"formula_full": "K1 Tb1 Nd1 Sb1 O6",
"formula_reduced": "KTbNdSbO6",
"formula_anonymous": "ABCDE6",
"energy": -72.36299446,
"energy_per_atom": -7.236299445999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -68.24099446,
"band_gap": 3.1416,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:08.870000Z",
"spacegroup": 216
},
{
"id": "mp-754987",
"created_at": "2022-09-04T14:41:08.232468Z",
"structure_string": "Li12 Fe4 P4 C4 O28\n1.0\n-0.285062 6.633688 0.070984\n0.673382 0.025967 9.831682\n8.389106 -1.471526 -5.140665\nLi Fe P C O\n12 4 4 4 28\ndirect\n0.470527 0.527651 0.111771 Li\n0.470565 0.027570 0.111972 Li\n0.780751 0.605258 0.962958 Li\n0.780820 0.105385 0.962835 Li\n0.128381 0.295424 0.262742 Li\n0.127884 0.795483 0.262916 Li\n0.123046 0.837598 0.812071 Li\n0.123390 0.337505 0.811952 Li\n0.540987 0.327310 0.345204 Li\n0.541013 0.827849 0.345072 Li\n0.710362 0.805789 0.729605 Li\n0.710260 0.305359 0.729718 Li\n0.858293 0.638395 0.393768 Fe\n0.393001 0.494598 0.680993 Fe\n0.858514 0.138613 0.393705 Fe\n0.392780 0.994540 0.681046 Fe\n0.360614 0.626025 0.453371 P\n0.360556 0.126095 0.453424 P\n0.890655 0.507074 0.621468 P\n0.890703 0.006999 0.621369 P\n0.387239 0.215317 0.010442 C\n0.387153 0.715296 0.010493 C\n0.864250 0.417654 0.064304 C\n0.864307 0.917597 0.064337 C\n0.785692 0.044016 0.150622 O\n0.785404 0.544065 0.150180 O\n0.465719 0.588752 0.924507 O\n0.465669 0.088790 0.924154 O\n0.907525 0.315557 0.108316 O\n0.907533 0.815338 0.108110 O\n0.344122 0.817401 0.966476 O\n0.344151 0.317523 0.966590 O\n0.362004 0.230492 0.142924 O\n0.361646 0.730661 0.143028 O\n0.889533 0.902537 0.931902 O\n0.889791 0.402317 0.931783 O\n0.156179 0.653836 0.369383 O\n0.156501 0.153981 0.369111 O\n0.094931 0.479181 0.705553 O\n0.094743 0.979106 0.705682 O\n0.530860 0.624589 0.363883 O\n0.530751 0.124568 0.364023 O\n0.720306 0.508461 0.710828 O\n0.720489 0.008470 0.710752 O\n0.340734 0.467068 0.451821 O\n0.340749 0.967149 0.452089 O\n0.910710 0.666042 0.623071 O\n0.910466 0.165959 0.622728 O\n0.830453 0.381819 0.449185 O\n0.830650 0.881850 0.449000 O\n0.420874 0.751317 0.625586 O\n0.420651 0.251288 0.625761 O\n",
"nsites": 52,
"nelements": 5,
"elements": [
"Li",
"Fe",
"P",
"C",
"O"
],
"chemical_system": "C-Fe-Li-O-P",
"density": 2.7187808802454816,
"density_atomic": 0.0918838990068531,
"volume": 565.9315784599172,
"volume_molar": 6.554076203874241,
"formula_full": "Li12 Fe4 P4 C4 O28",
"formula_reduced": "Li3FePCO7",
"formula_anonymous": "ABCD3E7",
"energy": -375.83276007,
"energy_per_atom": -7.2275530782692305,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -347.57276007,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 16.0000367,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:16.215000Z",
"spacegroup": 2
},
{
"id": "mp-667356",
"created_at": "2022-09-04T14:41:12.853113Z",
"structure_string": "P16 Ru16 C64 O48 F48\n1.0\n10.620326 0.000000 0.000000\n0.000000 10.493114 0.000000\n0.000000 0.002538 28.980089\nP Ru C O F\n16 16 64 48 48\ndirect\n0.099786 0.288911 0.347445 P\n0.599786 0.711089 0.152555 P\n0.216695 0.371460 0.916288 P\n0.400214 0.288911 0.847445 P\n0.783305 0.628540 0.083712 P\n0.233031 0.098610 0.402974 P\n0.900214 0.711089 0.652555 P\n0.131542 0.241330 0.832177 P\n0.868458 0.758670 0.167823 P\n0.283305 0.371460 0.416288 P\n0.266969 0.098610 0.902974 P\n0.716695 0.628540 0.583712 P\n0.368458 0.241330 0.332177 P\n0.631542 0.758670 0.667823 P\n0.733031 0.901390 0.097026 P\n0.766969 0.901390 0.597026 P\n0.236547 0.448886 0.836806 Ru\n0.084308 0.260279 0.430874 Ru\n0.440107 0.199090 0.410740 Ru\n0.559893 0.800910 0.589260 Ru\n0.763453 0.551114 0.163194 Ru\n0.940107 0.800910 0.089260 Ru\n0.805720 0.907722 0.680220 Ru\n0.415692 0.260279 0.930874 Ru\n0.305720 0.092278 0.819780 Ru\n0.736547 0.551114 0.663194 Ru\n0.915692 0.739721 0.569126 Ru\n0.694280 0.907722 0.180220 Ru\n0.059893 0.199090 0.910740 Ru\n0.584308 0.739721 0.069126 Ru\n0.194280 0.092278 0.319780 Ru\n0.263453 0.448886 0.336806 Ru\n0.620727 0.772731 0.004262 C\n0.917916 0.451069 0.161047 C\n0.261449 0.458920 0.770508 C\n0.466529 0.953124 0.606728 C\n0.317478 0.501209 0.459988 C\n0.049269 0.172294 0.977169 C\n0.082084 0.548931 0.838953 C\n0.653102 0.409219 0.149520 C\n0.064284 0.846971 0.572391 C\n0.682522 0.498791 0.540012 C\n0.054496 0.670064 0.681131 C\n0.324663 0.134066 0.754611 C\n0.509500 0.416876 0.940494 C\n0.296924 0.943632 0.308775 C\n0.796924 0.056368 0.191225 C\n0.417916 0.548931 0.338953 C\n0.778868 0.062351 0.567866 C\n0.585209 0.311715 0.407464 C\n0.846898 0.409219 0.649520 C\n0.966529 0.046876 0.893272 C\n0.703076 0.056368 0.691225 C\n0.238551 0.458920 0.270508 C\n0.490500 0.583124 0.059506 C\n0.761449 0.541080 0.729492 C\n0.554496 0.329936 0.818869 C\n0.001478 0.234778 0.787792 C\n0.564284 0.153029 0.927609 C\n0.879273 0.772731 0.504262 C\n0.582084 0.451069 0.661047 C\n0.914791 0.311715 0.907464 C\n0.182522 0.501209 0.959988 C\n0.153102 0.590781 0.350480 C\n0.120727 0.227269 0.495738 C\n0.990500 0.416876 0.440494 C\n0.278868 0.937649 0.932134 C\n0.435716 0.846971 0.072391 C\n0.945504 0.329936 0.318869 C\n0.962854 0.002251 0.675015 C\n0.738551 0.541080 0.229492 C\n0.501478 0.765222 0.712208 C\n0.824663 0.865934 0.745389 C\n0.498522 0.234778 0.287792 C\n0.935716 0.153029 0.427609 C\n0.033471 0.953124 0.106728 C\n0.675337 0.865934 0.245389 C\n0.203076 0.943632 0.808775 C\n0.085209 0.688285 0.092536 C\n0.950731 0.827706 0.022831 C\n0.537146 0.002251 0.175015 C\n0.462854 0.997749 0.824985 C\n0.817478 0.498791 0.040012 C\n0.037146 0.997749 0.324985 C\n0.009500 0.583124 0.559506 C\n0.450731 0.172294 0.477169 C\n0.221132 0.937649 0.432134 C\n0.379273 0.227269 0.995738 C\n0.414791 0.688285 0.592536 C\n0.533471 0.046876 0.393272 C\n0.175337 0.134066 0.254611 C\n0.998522 0.765222 0.212208 C\n0.346898 0.590781 0.850480 C\n0.549269 0.827706 0.522831 C\n0.721132 0.062351 0.067866 C\n0.445504 0.670064 0.181131 C\n0.587123 0.956228 0.382215 O\n0.943079 0.943533 0.328767 O\n0.912877 0.956228 0.882215 O\n0.164759 0.160768 0.216169 O\n0.085705 0.674986 0.357471 O\n0.829422 0.379936 0.906550 O\n0.353778 0.207195 0.033771 O\n0.653338 0.090275 0.924583 O\n0.721749 0.541766 0.268845 O\n0.355521 0.852877 0.301600 O\n0.144479 0.852877 0.801600 O\n0.646222 0.792805 0.966229 O\n0.644479 0.147123 0.698400 O\n0.278251 0.458234 0.731155 O\n0.414295 0.674986 0.857471 O\n0.556921 0.943533 0.828767 O\n0.490308 0.392777 0.658699 O\n0.044578 0.158012 0.016692 O\n0.170578 0.620064 0.093450 O\n0.146222 0.207195 0.533771 O\n0.955422 0.841988 0.983308 O\n0.846662 0.090275 0.424583 O\n0.346662 0.909725 0.075417 O\n0.009692 0.392777 0.158699 O\n0.664759 0.839232 0.283831 O\n0.329422 0.620064 0.593450 O\n0.853778 0.792805 0.466229 O\n0.412877 0.043772 0.617785 O\n0.056921 0.056467 0.671233 O\n0.544578 0.841988 0.483308 O\n0.855521 0.147123 0.198400 O\n0.564342 0.510939 0.945538 O\n0.153338 0.909725 0.575417 O\n0.443079 0.056467 0.171233 O\n0.455422 0.158012 0.516692 O\n0.670578 0.379936 0.406550 O\n0.064342 0.489061 0.554462 O\n0.990308 0.607223 0.841301 O\n0.335241 0.160768 0.716169 O\n0.935658 0.510939 0.445538 O\n0.509692 0.607223 0.341301 O\n0.435658 0.489061 0.054462 O\n0.835241 0.839232 0.783831 O\n0.087123 0.043772 0.117785 O\n0.585705 0.325014 0.142529 O\n0.914295 0.325014 0.642529 O\n0.221749 0.458234 0.231155 O\n0.778251 0.541766 0.768845 O\n0.723132 0.409405 0.038283 F\n0.330079 0.452931 0.503520 F\n0.169921 0.452931 0.003520 F\n0.141587 0.765364 0.675948 F\n0.905431 0.315401 0.799304 F\n0.358413 0.765364 0.175948 F\n0.459202 0.649756 0.227651 F\n0.094569 0.684599 0.200696 F\n0.450602 0.885007 0.716914 F\n0.101896 0.888745 0.429909 F\n0.042429 0.269847 0.744879 F\n0.699841 0.150697 0.587055 F\n0.959202 0.350244 0.272349 F\n0.800159 0.150697 0.087055 F\n0.457571 0.269847 0.244879 F\n0.199841 0.849303 0.912945 F\n0.398104 0.888745 0.929909 F\n0.950602 0.114993 0.783086 F\n0.394671 0.562017 0.162806 F\n0.858413 0.234636 0.324052 F\n0.574181 0.434485 0.550149 F\n0.549398 0.114993 0.283086 F\n0.300159 0.849303 0.412945 F\n0.542429 0.730153 0.755121 F\n0.641587 0.234636 0.824052 F\n0.252013 0.945997 0.477986 F\n0.669921 0.547069 0.496480 F\n0.894671 0.437983 0.337194 F\n0.776868 0.409405 0.538283 F\n0.957571 0.730153 0.255121 F\n0.049398 0.885007 0.216914 F\n0.040798 0.649756 0.727651 F\n0.247987 0.945997 0.977986 F\n0.223132 0.590595 0.461717 F\n0.747987 0.054003 0.522014 F\n0.601896 0.111255 0.070091 F\n0.898104 0.111255 0.570091 F\n0.405431 0.684599 0.700696 F\n0.752013 0.054003 0.022014 F\n0.074181 0.565515 0.949851 F\n0.605329 0.437983 0.837194 F\n0.276868 0.590595 0.961717 F\n0.105329 0.562017 0.662806 F\n0.594569 0.315401 0.299304 F\n0.425819 0.565515 0.449851 F\n0.925819 0.434485 0.050149 F\n0.540798 0.350244 0.772349 F\n0.830079 0.547069 0.996480 F\n",
"nsites": 192,
"nelements": 5,
"elements": [
"P",
"Ru",
"C",
"O",
"F"
],
"chemical_system": "C-F-O-P-Ru",
"density": 2.3452753175353522,
"density_atomic": 0.05945101513276169,
"volume": 3229.5495639769906,
"volume_molar": 10.129584409201073,
"formula_full": "P16 Ru16 C64 O48 F48",
"formula_reduced": "PRuC4(OF)3",
"formula_anonymous": "ABC3D3E4",
"energy": -1394.14533373,
"energy_per_atom": -7.261173613177083,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1338.99333373,
"band_gap": 2.7145,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005884,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:15.215000Z",
"spacegroup": 14
}
]
}