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=-is_magnetic&page=126",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-is_magnetic&page=124",
"results": [
{
"id": "mp-1018813",
"created_at": "2022-09-04T14:44:27.852151Z",
"structure_string": "Nd2 Co2 P2\n1.0\n3.886909 0.000000 0.000000\n0.000000 3.886909 0.000000\n0.000000 0.000000 7.640573\nNd Co P\n2 2 2\ndirect\n0.000000 0.500000 0.299670 Nd\n0.500000 0.000000 0.700330 Nd\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.000000 Co\n0.000000 0.500000 0.842051 P\n0.500000 0.000000 0.157949 P\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Nd",
"Co",
"P"
],
"chemical_system": "Co-Nd-P",
"density": 6.736536156970218,
"density_atomic": 0.051977642146136496,
"volume": 115.43424734678891,
"volume_molar": 11.586021434116988,
"formula_full": "Nd2 Co2 P2",
"formula_reduced": "NdCoP",
"formula_anonymous": "ABC",
"energy": -40.21601518,
"energy_per_atom": -6.702669196666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.21601518,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.900271,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:38.684000Z",
"spacegroup": 129
},
{
"id": "mp-1207397",
"created_at": "2022-09-04T14:44:28.450542Z",
"structure_string": "Zn1 Os2 N4 O8\n1.0\n0.000000 5.322469 5.322469\n5.322469 0.000000 5.322469\n5.322469 5.322469 0.000000\nZn Os N O\n1 2 4 8\ndirect\n0.250000 0.250000 0.250000 Zn\n0.750000 0.750000 0.750000 Os\n0.000000 0.000000 0.000000 Os\n0.361428 0.361428 0.361428 N\n0.361428 0.361428 0.915716 N\n0.361428 0.915716 0.361428 N\n0.915716 0.361428 0.361428 N\n0.093784 0.093784 0.093784 O\n0.093784 0.093784 0.718649 O\n0.093784 0.718649 0.093784 O\n0.718649 0.093784 0.093784 O\n0.656327 0.656327 0.656327 O\n0.656327 0.656327 0.031018 O\n0.656327 0.031018 0.656327 O\n0.031018 0.656327 0.656327 O\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Zn",
"Os",
"N",
"O"
],
"chemical_system": "N-O-Os-Zn",
"density": 3.468527028026246,
"density_atomic": 0.049741839460772465,
"volume": 301.55700236677694,
"volume_molar": 12.106791436109228,
"formula_full": "Zn1 Os2 N4 O8",
"formula_reduced": "ZnOs2(NO2)4",
"formula_anonymous": "AB2C4D8",
"energy": -92.95124028,
"energy_per_atom": -6.196749351999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -87.45524028,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.9966146,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:37.920000Z",
"spacegroup": 216
},
{
"id": "mp-756838",
"created_at": "2022-09-04T14:44:28.493863Z",
"structure_string": "Mn3 Cr3 Sb2 O16\n1.0\n5.898918 0.005888 0.044289\n-2.944357 5.104185 -0.000302\n0.071118 0.040474 9.242141\nMn Cr Sb O\n3 3 2 16\ndirect\n0.659548 0.829923 0.209309 Mn\n0.831018 0.663526 0.712850 Mn\n0.830979 0.167461 0.712831 Mn\n0.165764 0.827810 0.215995 Cr\n0.167017 0.338507 0.214196 Cr\n0.336717 0.168331 0.713192 Cr\n0.331388 0.665484 0.492541 Sb\n0.662628 0.331045 0.991889 Sb\n0.162332 0.833531 0.599407 O\n0.040966 0.521937 0.342287 O\n0.340880 0.671992 0.107245 O\n0.995864 0.995904 0.300572 O\n0.987919 0.993889 0.809738 O\n0.162238 0.328721 0.599320 O\n0.484460 0.959880 0.336823 O\n0.485186 0.525547 0.336974 O\n0.328506 0.163639 0.098294 O\n0.668654 0.834390 0.601399 O\n0.526902 0.487018 0.838475 O\n0.527046 0.039988 0.838444 O\n0.678840 0.339505 0.609203 O\n0.831812 0.666433 0.100074 O\n0.961841 0.480814 0.834802 O\n0.831495 0.164930 0.099862 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Mn",
"Cr",
"Sb",
"O"
],
"chemical_system": "Cr-Mn-O-Sb",
"density": 4.89260841833183,
"density_atomic": 0.08620314201648406,
"volume": 278.4121255743861,
"volume_molar": 6.985987539582288,
"formula_full": "Mn3 Cr3 Sb2 O16",
"formula_reduced": "Mn3Cr3(SbO8)2",
"formula_anonymous": "A2B3C3D16",
"energy": -190.12416375,
"energy_per_atom": -7.92184015625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -168.13116375,
"band_gap": 0.1566,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 16.999183,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:39.263000Z",
"spacegroup": 8
},
{
"id": "mp-1224658",
"created_at": "2022-09-04T14:44:27.371390Z",
"structure_string": "Ho4 Fe34 C2\n1.0\n0.000000 0.000000 -8.249865\n-4.257029 -7.373371 0.000000\n-4.281747 7.387642 0.000000\nHo Fe C\n4 34 2\ndirect\n0.750000 0.331108 0.662218 Ho\n0.250000 0.666810 0.333621 Ho\n0.750000 0.003078 0.006214 Ho\n0.250000 0.999534 0.999061 Ho\n0.750000 0.949848 0.620488 Fe\n0.750000 0.671798 0.050681 Fe\n0.750000 0.371539 0.329137 Fe\n0.750000 0.670600 0.620437 Fe\n0.750000 0.378925 0.050751 Fe\n0.750000 0.957608 0.329127 Fe\n0.250000 0.040490 0.368985 Fe\n0.250000 0.327830 0.959180 Fe\n0.250000 0.629675 0.671569 Fe\n0.250000 0.328496 0.368982 Fe\n0.250000 0.631343 0.959168 Fe\n0.250000 0.041883 0.671569 Fe\n0.393201 0.332891 0.665795 Fe\n0.605395 0.666881 0.333735 Fe\n0.894605 0.666881 0.333735 Fe\n0.106799 0.332891 0.665795 Fe\n0.518761 0.666230 0.832749 Fe\n0.518212 0.166025 0.332041 Fe\n0.518743 0.166513 0.832752 Fe\n0.481247 0.334443 0.168224 Fe\n0.480196 0.832187 0.664379 Fe\n0.481251 0.833775 0.168210 Fe\n0.018753 0.334443 0.168224 Fe\n0.019804 0.832187 0.664379 Fe\n0.018749 0.833775 0.168210 Fe\n0.981239 0.666230 0.832749 Fe\n0.981788 0.166025 0.332041 Fe\n0.981257 0.166513 0.832752 Fe\n0.498052 0.997957 0.498336 Fe\n0.496367 0.501657 0.003300 Fe\n0.498060 0.500384 0.498344 Fe\n0.001948 0.997957 0.498336 Fe\n0.003633 0.501657 0.003300 Fe\n0.001940 0.500384 0.498344 Fe\n0.750000 0.165247 0.834514 C\n0.750000 0.669301 0.834565 C\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Ho",
"Fe",
"C"
],
"chemical_system": "C-Fe-Ho",
"density": 8.248166498484915,
"density_atomic": 0.07693652686843978,
"volume": 519.9090942641504,
"volume_molar": 7.827414370157057,
"formula_full": "Ho4 Fe34 C2",
"formula_reduced": "Ho2Fe17C",
"formula_anonymous": "AB2C17",
"energy": -326.4353629,
"energy_per_atom": -8.1608840725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -326.4353629,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 74.9168323,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:38.588000Z",
"spacegroup": 38
},
{
"id": "mp-1180144",
"created_at": "2022-09-04T14:44:27.946449Z",
"structure_string": "Mn1 Mo3\n1.0\n3.358639 -5.626593 0.000000\n3.358639 5.626593 0.000000\n-6.067369 0.000000 2.475085\nMn Mo\n1 3\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.792642 0.207358 Mo\n0.792642 0.207358 0.000000 Mo\n0.207358 0.000000 0.792642 Mo\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mn",
"Mo"
],
"chemical_system": "Mn-Mo",
"density": 6.084260671165477,
"density_atomic": 0.042759345526028635,
"volume": 93.54680130838543,
"volume_molar": 14.08380012817123,
"formula_full": "Mn1 Mo3",
"formula_reduced": "MnMo3",
"formula_anonymous": "AB3",
"energy": -35.90630419,
"energy_per_atom": -8.9765760475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.90630419,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0740938,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:45.497000Z",
"spacegroup": 155
},
{
"id": "mp-758465",
"created_at": "2022-09-04T14:44:27.946940Z",
"structure_string": "Li8 Fe4 Si4 O16\n1.0\n5.036854 0.000000 0.000000\n0.000000 6.341048 0.000000\n0.000000 0.462184 10.976186\nLi Fe Si O\n8 4 4 16\ndirect\n0.311250 0.005372 0.584905 Li\n0.188750 0.005372 0.084905 Li\n0.808246 0.777568 0.674231 Li\n0.691754 0.777568 0.174231 Li\n0.308246 0.222432 0.825769 Li\n0.191754 0.222432 0.325769 Li\n0.811250 0.994628 0.915095 Li\n0.688750 0.994628 0.415095 Li\n0.791866 0.480932 0.906398 Fe\n0.708134 0.480932 0.406398 Fe\n0.291866 0.519068 0.593602 Fe\n0.208134 0.519068 0.093602 Fe\n0.313128 0.755592 0.838890 Si\n0.186872 0.755592 0.338890 Si\n0.813128 0.244408 0.661110 Si\n0.686872 0.244408 0.161110 Si\n0.200857 0.956674 0.909704 O\n0.299143 0.956674 0.409704 O\n0.641470 0.753372 0.838625 O\n0.858530 0.753372 0.338625 O\n0.205543 0.758142 0.695902 O\n0.294457 0.758142 0.195902 O\n0.215145 0.523052 0.906047 O\n0.284855 0.523052 0.406047 O\n0.715145 0.476948 0.593953 O\n0.784855 0.476948 0.093953 O\n0.705543 0.241858 0.804098 O\n0.794457 0.241858 0.304098 O\n0.141470 0.246628 0.661375 O\n0.358530 0.246628 0.161375 O\n0.700857 0.043326 0.590296 O\n0.799143 0.043326 0.090296 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"Fe",
"Si",
"O"
],
"chemical_system": "Fe-Li-O-Si",
"density": 3.0657931821120394,
"density_atomic": 0.09128052248954698,
"volume": 350.56766906285503,
"volume_molar": 6.5973995281300315,
"formula_full": "Li8 Fe4 Si4 O16",
"formula_reduced": "Li2FeSiO4",
"formula_anonymous": "ABC2D4",
"energy": -231.31745098,
"energy_per_atom": -7.228670343125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -211.30145098,
"band_gap": 3.1415,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 16.000292,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:38.034000Z",
"spacegroup": 14
},
{
"id": "mp-1323783",
"created_at": "2022-09-04T14:44:27.403632Z",
"structure_string": "Ca3 Fe2 Mo2 O12\n1.0\n5.418815 0.000000 0.000000\n0.024478 5.534898 0.000000\n0.016236 0.002997 7.762831\nCa Fe Mo O\n3 2 2 12\ndirect\n0.990711 0.951967 0.751040 Ca\n0.006556 0.043623 0.249405 Ca\n0.486178 0.552304 0.251944 Ca\n0.494034 0.010637 0.498932 Fe\n0.998310 0.503281 0.003353 Fe\n0.503346 0.009990 0.990432 Mo\n0.993605 0.496371 0.511719 Mo\n0.723916 0.710319 0.534011 O\n0.800171 0.196243 0.966453 O\n0.279345 0.292661 0.445691 O\n0.210895 0.799312 0.038756 O\n0.205413 0.783956 0.458802 O\n0.297611 0.282670 0.054019 O\n0.810196 0.199693 0.533888 O\n0.708431 0.727744 0.963168 O\n0.069442 0.513272 0.745183 O\n0.417800 0.024010 0.755837 O\n0.575923 0.978405 0.246232 O\n0.912357 0.481939 0.253805 O\n",
"nsites": 19,
"nelements": 4,
"elements": [
"Ca",
"Fe",
"Mo",
"O"
],
"chemical_system": "Ca-Fe-Mo-O",
"density": 4.391900045476881,
"density_atomic": 0.08160551751002815,
"volume": 232.82739427104514,
"volume_molar": 7.379575479390797,
"formula_full": "Ca3 Fe2 Mo2 O12",
"formula_reduced": "Ca3Fe2(MoO6)2",
"formula_anonymous": "A2B2C3D12",
"energy": -149.58892387,
"energy_per_atom": -7.873101256315789,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -130.42892387,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.9999292,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:34.837000Z",
"spacegroup": 1
},
{
"id": "mp-1112579",
"created_at": "2022-09-04T14:44:27.405333Z",
"structure_string": "Cs2 Li1 Au1 F6\n1.0\n0.000000 4.422464 4.422464\n4.422464 0.000000 4.422464\n4.422464 4.422464 0.000000\nCs Li Au F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Au\n0.753427 0.246573 0.246573 F\n0.246573 0.246573 0.753427 F\n0.246573 0.753427 0.753427 F\n0.246573 0.753427 0.246573 F\n0.753427 0.246573 0.753427 F\n0.753427 0.753427 0.246573 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"Li",
"Au",
"F"
],
"chemical_system": "Au-Cs-F-Li",
"density": 5.603024120362086,
"density_atomic": 0.05780655461756483,
"volume": 172.99076317828926,
"volume_molar": 10.41774726039483,
"formula_full": "Cs2 Li1 Au1 F6",
"formula_reduced": "Cs2LiAuF6",
"formula_anonymous": "ABC2D6",
"energy": -41.78206498,
"energy_per_atom": -4.178206498,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.01006498,
"band_gap": 0.5297999999999999,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 2.000738,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:38.340000Z",
"spacegroup": 225
},
{
"id": "mp-1207029",
"created_at": "2022-09-04T14:44:27.423831Z",
"structure_string": "Np2 S1 O2\n1.0\n1.872093 -3.242560 0.000000\n1.872093 3.242560 0.000000\n0.000000 0.000000 6.363116\nNp S O\n2 1 2\ndirect\n0.333333 0.666667 0.270394 Np\n0.666667 0.333333 0.729606 Np\n0.000000 0.000000 0.000000 S\n0.333333 0.666667 0.631441 O\n0.666667 0.333333 0.368559 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Np",
"S",
"O"
],
"chemical_system": "Np-O-S",
"density": 11.565584749863136,
"density_atomic": 0.06472241708088762,
"volume": 77.25298629918579,
"volume_molar": 9.304567152480967,
"formula_full": "Np2 S1 O2",
"formula_reduced": "Np2SO2",
"formula_anonymous": "AB2C2",
"energy": -54.00307775,
"energy_per_atom": -10.80061555,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -52.12607775000001,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.9383215,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:40.003000Z",
"spacegroup": 164
},
{
"id": "mp-978973",
"created_at": "2022-09-04T14:44:27.475443Z",
"structure_string": "Sm2 Zn1 Hg1\n1.0\n0.000000 3.735318 3.735318\n3.735318 0.000000 3.735318\n3.735318 3.735318 0.000000\nSm Zn Hg\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Sm\n0.750000 0.750000 0.750000 Sm\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sm",
"Zn",
"Hg"
],
"chemical_system": "Hg-Sm-Zn",
"density": 9.028261567856605,
"density_atomic": 0.03837489972880365,
"volume": 104.23480004555314,
"volume_molar": 15.692915949119385,
"formula_full": "Sm2 Zn1 Hg1",
"formula_reduced": "Sm2ZnHg",
"formula_anonymous": "ABC2",
"energy": -12.52836745,
"energy_per_atom": -3.1320918625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.52836745,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.5545484,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:42.542000Z",
"spacegroup": 225
},
{
"id": "mp-1216470",
"created_at": "2022-09-04T14:44:27.502958Z",
"structure_string": "V5 Fe5 Si6\n1.0\n3.462091 -5.925382 0.000000\n3.462091 5.925382 0.000000\n0.000000 0.000000 4.723201\nV Fe Si\n5 5 6\ndirect\n0.992769 0.771136 0.000000 V\n0.771136 0.992769 0.000000 V\n0.769216 0.769216 0.500000 V\n0.995247 0.222682 0.500000 V\n0.222682 0.995247 0.500000 V\n0.672149 0.336106 0.250259 Fe\n0.336106 0.672149 0.250259 Fe\n0.336106 0.672149 0.749741 Fe\n0.672149 0.336106 0.749741 Fe\n0.241365 0.241365 0.000000 Fe\n0.582063 0.582063 0.000000 Si\n0.007845 0.404456 0.000000 Si\n0.404456 0.007845 0.000000 Si\n0.404730 0.404730 0.500000 Si\n0.002323 0.589622 0.500000 Si\n0.589622 0.002323 0.500000 Si\n",
"nsites": 16,
"nelements": 3,
"elements": [
"V",
"Fe",
"Si"
],
"chemical_system": "Fe-Si-V",
"density": 6.0192235892684804,
"density_atomic": 0.0825655211298561,
"volume": 193.78549037237676,
"volume_molar": 7.293771876675485,
"formula_full": "V5 Fe5 Si6",
"formula_reduced": "V5Fe5Si6",
"formula_anonymous": "A5B5C6",
"energy": -127.46124004,
"energy_per_atom": -7.9663275025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -127.88724004,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.8115465,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:39.081000Z",
"spacegroup": 38
},
{
"id": "mp-1324064",
"created_at": "2022-09-04T14:44:27.456012Z",
"structure_string": "Ba2 Mg2 Tl2 Cr3 O10\n1.0\n3.804100 0.000000 0.000000\n-0.006786 3.885395 0.000000\n-1.767884 -0.614496 19.408725\nBa Mg Tl Cr O\n2 2 2 3 10\ndirect\n0.165982 0.170950 0.289093 Ba\n0.830929 0.902887 0.701470 Ba\n0.926946 0.932026 0.891011 Mg\n0.055680 0.139016 0.094110 Mg\n0.719505 0.767988 0.439639 Tl\n0.270088 0.310100 0.556507 Tl\n0.392591 0.423202 0.824402 Cr\n0.620414 0.645053 0.175256 Cr\n0.495019 0.665143 0.004255 Cr\n0.902688 0.421522 0.846242 O\n0.342381 0.414739 0.725638 O\n0.406895 0.926824 0.850625 O\n0.777986 0.744676 0.567609 O\n0.504375 0.175680 0.028952 O\n0.642944 0.142989 0.167667 O\n0.658208 0.663004 0.273148 O\n0.108983 0.641473 0.140021 O\n0.211462 0.200029 0.430565 O\n0.984886 0.702572 0.984752 O\n",
"nsites": 19,
"nelements": 5,
"elements": [
"Ba",
"Mg",
"Tl",
"Cr",
"O"
],
"chemical_system": "Ba-Cr-Mg-O-Tl",
"density": 6.066408023953099,
"density_atomic": 0.06623224750084805,
"volume": 286.86932297981764,
"volume_molar": 9.092460224791392,
"formula_full": "Ba2 Mg2 Tl2 Cr3 O10",
"formula_reduced": "Ba2Mg2Tl2Cr3O10",
"formula_anonymous": "A2B2C2D3E10",
"energy": -130.80356592,
"energy_per_atom": -6.88439820631579,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -117.93656592,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.0493328,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:38.550000Z",
"spacegroup": 1
}
]
}