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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-nelements&page=159",
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"results": [
{
"id": "mp-1212907",
"created_at": "2022-09-04T14:45:43.305706Z",
"structure_string": "H20 Pb4 C8 S4 Br4 N24\n1.0\n11.785099 0.000000 0.000000\n0.000000 7.767330 0.000000\n0.000000 2.330359 9.713582\nH Pb C S Br N\n20 4 8 4 4 24\ndirect\n0.397378 0.360595 0.054010 H\n0.602622 0.639405 0.945990 H\n0.897378 0.139405 0.945990 H\n0.102622 0.860595 0.054010 H\n0.569033 0.835886 0.845524 H\n0.430967 0.164114 0.154476 H\n0.069033 0.664114 0.154476 H\n0.930967 0.335886 0.845524 H\n0.614654 0.835769 0.213122 H\n0.385346 0.164231 0.786878 H\n0.114654 0.664231 0.786878 H\n0.885346 0.335769 0.213122 H\n0.899742 0.783241 0.058967 H\n0.100258 0.216759 0.941033 H\n0.399742 0.716759 0.941033 H\n0.600258 0.283241 0.058967 H\n0.719736 0.787833 0.096740 H\n0.280264 0.212167 0.903260 H\n0.219736 0.712167 0.903260 H\n0.780264 0.287833 0.096740 H\n0.656947 0.570856 0.649192 Pb\n0.343053 0.429144 0.350808 Pb\n0.156947 0.929144 0.350808 Pb\n0.843053 0.070856 0.649192 Pb\n0.893351 0.874637 0.240676 C\n0.106649 0.125363 0.759324 C\n0.393351 0.625363 0.759324 C\n0.606649 0.374637 0.240676 C\n0.763730 0.910980 0.390568 C\n0.236270 0.089020 0.609432 C\n0.263730 0.589020 0.609432 C\n0.736270 0.410980 0.390568 C\n0.634043 0.919988 0.466485 S\n0.365957 0.080012 0.533515 S\n0.134043 0.580012 0.533515 S\n0.865957 0.419988 0.466485 S\n0.369388 0.815122 0.144963 Br\n0.630612 0.184878 0.855037 Br\n0.869388 0.684878 0.855037 Br\n0.130612 0.315122 0.144963 Br\n0.946689 0.921483 0.344349 N\n0.053311 0.078517 0.655651 N\n0.446689 0.578517 0.655651 N\n0.553311 0.421483 0.344349 N\n0.865692 0.943917 0.437472 N\n0.134308 0.056083 0.562528 N\n0.365692 0.556083 0.562528 N\n0.634308 0.443917 0.437472 N\n0.943599 0.845931 0.123686 N\n0.056401 0.154069 0.876314 N\n0.443599 0.654069 0.876314 N\n0.556401 0.345931 0.123686 N\n0.779782 0.867087 0.264911 N\n0.220218 0.132913 0.735089 N\n0.279782 0.632913 0.735089 N\n0.720218 0.367087 0.264911 N\n0.440235 0.298874 0.140966 N\n0.559765 0.701126 0.859034 N\n0.940235 0.201126 0.859034 N\n0.059765 0.798874 0.140966 N\n0.696109 0.828261 0.181551 N\n0.303891 0.171739 0.818449 N\n0.196109 0.671739 0.818449 N\n0.803891 0.328261 0.181551 N\n",
"nsites": 64,
"nelements": 6,
"elements": [
"H",
"Pb",
"C",
"S",
"Br",
"N"
],
"chemical_system": "Br-C-H-N-Pb-S",
"density": 3.229089508380792,
"density_atomic": 0.07197730328575787,
"volume": 889.169183595458,
"volume_molar": 8.36672184854083,
"formula_full": "H20 Pb4 C8 S4 Br4 N24",
"formula_reduced": "H5PbC2SBrN6",
"formula_anonymous": "ABCD2E5F6",
"energy": -391.50021912,
"energy_per_atom": -6.11719092375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -380.82421912,
"band_gap": 3.042,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0025938,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:14.832000Z",
"spacegroup": 14
},
{
"id": "mp-1223564",
"created_at": "2022-09-04T14:45:38.855054Z",
"structure_string": "K1 Mg3 Al1 Si3 H2 O12\n1.0\n5.361467 0.000000 0.000000\n2.680143 4.646144 0.000000\n1.001699 1.730228 10.388615\nK Mg Al Si H O\n1 3 1 3 2 12\ndirect\n0.999006 0.995292 0.978642 K\n0.336984 0.827681 0.506271 Mg\n0.666104 0.160233 0.505263 Mg\n0.997804 0.504178 0.505679 Mg\n0.665827 0.734566 0.768301 Al\n0.333556 0.398900 0.772619 Si\n0.331680 0.267489 0.234597 Si\n0.664528 0.599631 0.234825 Si\n0.999382 0.097734 0.690909 H\n0.012002 0.902881 0.305046 H\n0.664565 0.796347 0.599809 O\n0.335062 0.456960 0.612323 O\n0.331344 0.213013 0.389553 O\n0.664372 0.539528 0.389766 O\n0.012653 0.467427 0.827461 O\n0.997935 0.466916 0.175720 O\n0.564750 0.058119 0.828510 O\n0.421154 0.610372 0.828345 O\n0.486829 0.955404 0.176066 O\n0.508931 0.445382 0.174380 O\n0.000050 0.132882 0.597923 O\n0.005482 0.869064 0.397993 O\n",
"nsites": 22,
"nelements": 6,
"elements": [
"K",
"Mg",
"Al",
"Si",
"H",
"O"
],
"chemical_system": "Al-H-K-Mg-O-Si",
"density": 2.6774533679814936,
"density_atomic": 0.08501366237767799,
"volume": 258.78193439383614,
"volume_molar": 7.08373288665803,
"formula_full": "K1 Mg3 Al1 Si3 H2 O12",
"formula_reduced": "KMg3AlSi3(HO6)2",
"formula_anonymous": "ABC2D3E3F12",
"energy": -157.25327197,
"energy_per_atom": -7.147875998636363,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -149.00927197,
"band_gap": 4.199,
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"updated_at": "2021-11-28T01:37:01.864000Z",
"spacegroup": 1
},
{
"id": "mp-600189",
"created_at": "2022-09-04T14:45:53.026320Z",
"structure_string": "Mn4 H56 C12 N4 Cl12 O8\n1.0\n7.505294 0.000000 0.000000\n0.000000 8.392361 0.000000\n0.000000 0.000000 17.087885\nMn H C N Cl O\n4 56 12 4 12 8\ndirect\n0.000000 0.500000 0.500000 Mn\n0.500000 0.000000 0.000000 Mn\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.530860 0.212353 0.692035 H\n0.250000 0.252375 0.129761 H\n0.902278 0.680983 0.017943 H\n0.597722 0.680983 0.017943 H\n0.097032 0.370559 0.735680 H\n0.750000 0.451851 0.776009 H\n0.902968 0.870559 0.764320 H\n0.750000 0.752375 0.370239 H\n0.369917 0.515489 0.134409 H\n0.937808 0.179349 0.542305 H\n0.584685 0.680179 0.716542 H\n0.915315 0.819821 0.216542 H\n0.630083 0.484511 0.865591 H\n0.915315 0.680179 0.716542 H\n0.750000 0.048149 0.276009 H\n0.530860 0.287647 0.192035 H\n0.750000 0.747625 0.870239 H\n0.630083 0.015489 0.365591 H\n0.415315 0.319821 0.283458 H\n0.597032 0.870559 0.764320 H\n0.030860 0.712353 0.807965 H\n0.437808 0.679349 0.957695 H\n0.250000 0.548149 0.223991 H\n0.030860 0.787647 0.307965 H\n0.130083 0.984511 0.634409 H\n0.869917 0.015489 0.365591 H\n0.562192 0.320651 0.042305 H\n0.369917 0.984511 0.634409 H\n0.250000 0.247625 0.629761 H\n0.469140 0.787647 0.307965 H\n0.250000 0.951851 0.723991 H\n0.937808 0.320651 0.042305 H\n0.437808 0.820651 0.457695 H\n0.584685 0.819821 0.216542 H\n0.969140 0.287647 0.192035 H\n0.097722 0.180983 0.482057 H\n0.969140 0.212353 0.692035 H\n0.084685 0.180179 0.783458 H\n0.597722 0.819017 0.517943 H\n0.084685 0.319821 0.283458 H\n0.402968 0.370559 0.735680 H\n0.097032 0.129441 0.235680 H\n0.562192 0.179349 0.542305 H\n0.062192 0.820651 0.457695 H\n0.062192 0.679349 0.957695 H\n0.902278 0.819017 0.517943 H\n0.402278 0.180983 0.482057 H\n0.415315 0.180179 0.783458 H\n0.402968 0.129441 0.235680 H\n0.902968 0.629441 0.264320 H\n0.469140 0.712353 0.807965 H\n0.869917 0.484511 0.865591 H\n0.402278 0.319017 0.982057 H\n0.130083 0.515489 0.134409 H\n0.097722 0.319017 0.982057 H\n0.597032 0.629441 0.264320 H\n0.250000 0.014658 0.667848 C\n0.250000 0.485342 0.167848 C\n0.750000 0.985342 0.332152 C\n0.587117 0.758241 0.272995 C\n0.412883 0.258241 0.227005 C\n0.750000 0.514658 0.832152 C\n0.412883 0.241759 0.727005 C\n0.587117 0.741759 0.772995 C\n0.912883 0.741759 0.772995 C\n0.912883 0.758241 0.272995 C\n0.087117 0.258241 0.227005 C\n0.087117 0.241759 0.727005 C\n0.250000 0.190081 0.683421 N\n0.750000 0.809919 0.316579 N\n0.750000 0.690081 0.816579 N\n0.250000 0.309919 0.183421 N\n0.250000 0.936668 0.100327 Cl\n0.750000 0.501098 0.087109 Cl\n0.750000 0.500487 0.600429 Cl\n0.250000 0.001098 0.412891 Cl\n0.750000 0.063332 0.899673 Cl\n0.250000 0.563332 0.600327 Cl\n0.250000 0.498902 0.912891 Cl\n0.250000 0.499513 0.399571 Cl\n0.750000 0.436668 0.399673 Cl\n0.750000 0.999513 0.100429 Cl\n0.250000 0.000487 0.899571 Cl\n0.750000 0.998902 0.587109 Cl\n0.540921 0.743941 0.975809 O\n0.959079 0.743941 0.975809 O\n0.959079 0.756059 0.475809 O\n0.540921 0.756059 0.475809 O\n0.459079 0.256059 0.024191 O\n0.459079 0.243941 0.524191 O\n0.040921 0.256059 0.024191 O\n0.040921 0.243941 0.524191 O\n",
"nsites": 96,
"nelements": 6,
"elements": [
"Mn",
"H",
"C",
"N",
"Cl",
"O"
],
"chemical_system": "C-Cl-H-Mn-N-O",
"density": 1.5887469490994022,
"density_atomic": 0.08919305805246458,
"volume": 1076.316947710566,
"volume_molar": 6.751804334881862,
"formula_full": "Mn4 H56 C12 N4 Cl12 O8",
"formula_reduced": "MnH14C3NCl3O2",
"formula_anonymous": "ABC2D3E3F14",
"energy": -504.60967971,
"energy_per_atom": -5.2563508303125,
"energy_above_hull": null,
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"energy_uncorrected": -483.62967971,
"band_gap": 4.1336,
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"is_theoretical": false,
"updated_at": "2021-11-28T01:37:11.916000Z",
"spacegroup": 62
},
{
"id": "mp-1225274",
"created_at": "2022-09-04T14:45:33.755970Z",
"structure_string": "Fe4 P4 H4 C16 O12 F12\n1.0\n8.202441 0.014453 1.321204\n2.770776 7.852730 1.564642\n0.005934 0.041428 13.209501\nFe P H C O F\n4 4 4 16 12 12\ndirect\n0.790160 0.776244 0.656688 Fe\n0.209840 0.223756 0.343312 Fe\n0.878585 0.905856 0.804860 Fe\n0.121415 0.094144 0.195140 Fe\n0.874188 0.644751 0.810203 P\n0.125812 0.355249 0.189797 P\n0.615555 0.958066 0.760808 P\n0.384445 0.041934 0.239192 P\n0.028031 0.502773 0.819035 H\n0.971969 0.497227 0.180965 H\n0.486362 0.916406 0.832842 H\n0.513638 0.083594 0.167158 H\n0.891239 0.106794 0.738147 C\n0.108761 0.893206 0.261853 C\n0.994535 0.645818 0.601118 C\n0.005465 0.354182 0.398882 C\n0.831993 0.943761 0.935440 C\n0.168007 0.056239 0.064560 C\n0.468338 0.178569 0.712753 C\n0.531662 0.821431 0.287247 C\n0.742615 0.544699 0.916641 C\n0.257385 0.455301 0.083359 C\n0.648984 0.677919 0.626746 C\n0.351016 0.322081 0.373254 C\n0.109986 0.817545 0.796013 C\n0.890014 0.182455 0.203987 C\n0.777798 0.938442 0.546207 C\n0.222202 0.061558 0.453793 C\n0.906762 0.233235 0.694617 O\n0.093238 0.766765 0.305383 O\n0.777141 0.037880 0.473056 O\n0.222859 0.962120 0.526944 O\n0.801708 0.968163 0.020996 O\n0.198292 0.031837 0.979004 O\n0.259458 0.761959 0.789715 O\n0.740542 0.238041 0.210285 O\n0.126986 0.562911 0.565515 O\n0.873014 0.437089 0.434485 O\n0.557485 0.615196 0.606861 O\n0.442515 0.384804 0.393139 O\n0.321602 0.171371 0.681734 F\n0.678398 0.828629 0.318266 F\n0.414247 0.281691 0.788351 F\n0.585753 0.718309 0.211649 F\n0.546776 0.257188 0.631095 F\n0.453224 0.742812 0.368905 F\n0.742972 0.589497 0.010858 F\n0.257028 0.410503 0.989142 F\n0.809184 0.370407 0.927299 F\n0.190816 0.629593 0.072701 F\n0.574687 0.591334 0.897802 F\n0.425313 0.408666 0.102198 F\n",
"nsites": 52,
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"elements": [
"Fe",
"P",
"H",
"C",
"O",
"F"
],
"chemical_system": "C-F-Fe-H-O-P",
"density": 1.8824543439957369,
"density_atomic": 0.06118553683153862,
"volume": 849.8740501888699,
"volume_molar": 9.842425304824383,
"formula_full": "Fe4 P4 H4 C16 O12 F12",
"formula_reduced": "FePHC4(OF)3",
"formula_anonymous": "ABCD3E3F4",
"energy": -346.89208911000003,
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"updated_at": "2021-11-28T01:37:11.215000Z",
"spacegroup": 2
},
{
"id": "mp-1370243",
"created_at": "2022-09-04T14:45:36.834744Z",
"structure_string": "Mg1 Ti4 Mn1 Zn1 Ni1 O12\n1.0\n5.121593 0.000000 0.000000\n-2.556574 4.928930 0.000000\n-0.001429 -2.655998 8.473112\nMg Ti Mn Zn Ni O\n1 4 1 1 1 12\ndirect\n0.532463 0.884519 0.179989 Mg\n0.714723 0.864263 0.570720 Ti\n0.219680 0.360066 0.073967 Ti\n0.783426 0.635616 0.931299 Ti\n0.282503 0.140793 0.424074 Ti\n0.462453 0.106045 0.819574 Mn\n0.039867 0.401682 0.677665 Zn\n0.972837 0.619889 0.324670 Ni\n0.508801 0.457549 0.281365 O\n0.994226 0.952191 0.780868 O\n0.036536 0.262132 0.472236 O\n0.540528 0.756946 0.981301 O\n0.064687 0.625702 0.114116 O\n0.562414 0.125650 0.606331 O\n0.993090 0.040477 0.218403 O\n0.492536 0.546549 0.717771 O\n0.463811 0.236134 0.027586 O\n0.959101 0.735582 0.523016 O\n0.433688 0.870013 0.386632 O\n0.942630 0.378200 0.888420 O\n",
"nsites": 20,
"nelements": 6,
"elements": [
"Mg",
"Ti",
"Mn",
"Zn",
"Ni",
"O"
],
"chemical_system": "Mg-Mn-Ni-O-Ti-Zn",
"density": 4.555574610851363,
"density_atomic": 0.0935038159272141,
"volume": 213.89501382027598,
"volume_molar": 6.440529405439236,
"formula_full": "Mg1 Ti4 Mn1 Zn1 Ni1 O12",
"formula_reduced": "MgTi4MnZnNiO12",
"formula_anonymous": "ABCDE4F12",
"energy": -143.68322798,
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"spacegroup": 1
},
{
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"Fe",
"H",
"S",
"O",
"F"
],
"chemical_system": "F-Fe-H-Na-O-S",
"density": 2.5827373757231085,
"density_atomic": 0.09470446905520782,
"volume": 591.3131720041098,
"volume_molar": 6.3588770625907864,
"formula_full": "Na4 Fe4 H16 S4 O24 F4",
"formula_reduced": "NaFeH4SO6F",
"formula_anonymous": "ABCDE4F6",
"energy": -335.91470157000003,
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"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -308.55470157,
"band_gap": 3.6397,
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"is_magnetic": true,
"total_magnetization": 16.0000385,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:19.263000Z",
"spacegroup": 11
},
{
"id": "mp-1195110",
"created_at": "2022-09-04T14:45:37.217772Z",
"structure_string": "Na2 Fe2 H44 C20 N4 O24\n1.0\n-8.404198 0.033126 0.038591\n0.025931 -9.411327 0.243626\n0.029257 0.854844 12.717646\nNa Fe H C N O\n2 2 44 20 4 24\ndirect\n0.768882 0.745512 0.752808 Na\n0.231118 0.254488 0.247192 Na\n0.265884 0.255805 0.747055 Fe\n0.734116 0.744195 0.252945 Fe\n0.916527 0.187207 0.985953 H\n0.083473 0.812793 0.014047 H\n0.755151 0.127353 0.912621 H\n0.244849 0.872647 0.087379 H\n0.792605 0.187174 0.389787 H\n0.207395 0.812826 0.610213 H\n0.598704 0.215282 0.434188 H\n0.401296 0.784718 0.565812 H\n0.805151 0.378329 0.889583 H\n0.194849 0.621671 0.110417 H\n0.621238 0.350668 0.956936 H\n0.378762 0.649332 0.043064 H\n0.792947 0.407951 0.029611 H\n0.207053 0.592049 0.970389 H\n0.244504 0.975850 0.918749 H\n0.755496 0.024150 0.081251 H\n0.409369 0.857339 0.931140 H\n0.590631 0.142661 0.068860 H\n0.238749 0.801287 0.857400 H\n0.761251 0.198713 0.142600 H\n0.328249 0.564471 0.482682 H\n0.671751 0.435529 0.517318 H\n0.286423 0.568275 0.620917 H\n0.713577 0.431725 0.379083 H\n0.128672 0.586977 0.528431 H\n0.871328 0.413023 0.471569 H\n0.690970 0.215933 0.612855 H\n0.309030 0.784067 0.387145 H\n0.731377 0.051225 0.543355 H\n0.268623 0.948775 0.456645 H\n0.887811 0.180450 0.565691 H\n0.112189 0.819550 0.434309 H\n0.314836 0.304622 0.985530 H\n0.685164 0.695378 0.014470 H\n0.964216 0.059975 0.754646 H\n0.035784 0.940025 0.245354 H\n0.055484 0.490220 0.807010 H\n0.944516 0.509780 0.192990 H\n0.565043 0.433403 0.730247 H\n0.434957 0.566597 0.269753 H\n0.480639 0.000300 0.710391 H\n0.519361 0.999700 0.289609 H\n0.186150 0.234641 0.519483 H\n0.813850 0.765359 0.480517 H\n0.193039 0.259378 0.978332 C\n0.806961 0.740622 0.021668 C\n0.056623 0.995596 0.713169 C\n0.943377 0.004404 0.286831 C\n0.002279 0.454497 0.730724 C\n0.997721 0.545503 0.269276 C\n0.484730 0.502991 0.778460 C\n0.515270 0.497009 0.221540 C\n0.537705 0.058594 0.777770 C\n0.462295 0.941406 0.222230 C\n0.318130 0.240389 0.517373 C\n0.681870 0.759611 0.482627 C\n0.750578 0.342772 0.962163 C\n0.249422 0.657228 0.037837 C\n0.279922 0.865021 0.925800 C\n0.720078 0.134979 0.074200 C\n0.253629 0.610940 0.545467 C\n0.746371 0.389060 0.454533 C\n0.760975 0.164716 0.549682 C\n0.239025 0.835284 0.450318 C\n0.793103 0.191730 0.977910 N\n0.206897 0.808270 0.022090 N\n0.720728 0.232414 0.449653 N\n0.279272 0.767586 0.550347 N\n0.345213 0.449811 0.797718 O\n0.654787 0.550189 0.202282 O\n0.141830 0.231779 0.884195 O\n0.858170 0.768221 0.115805 O\n0.387599 0.263622 0.606332 O\n0.612401 0.736378 0.393668 O\n0.070345 0.344817 0.684873 O\n0.929655 0.655183 0.315127 O\n0.191809 0.056403 0.697217 O\n0.808191 0.943597 0.302783 O\n0.465393 0.170429 0.813633 O\n0.534607 0.829572 0.186367 O\n0.886797 0.519075 0.695322 O\n0.113203 0.480925 0.304678 O\n0.665311 0.012333 0.813908 O\n0.334689 0.987667 0.186092 O\n0.025449 0.869578 0.684435 O\n0.974551 0.130422 0.315565 O\n0.530725 0.623416 0.809565 O\n0.469275 0.376584 0.190435 O\n0.387792 0.224495 0.430526 O\n0.612208 0.775505 0.569474 O\n0.113170 0.237770 0.059098 O\n0.886830 0.762230 0.940902 O\n",
"nsites": 96,
"nelements": 6,
"elements": [
"Na",
"Fe",
"H",
"C",
"N",
"O"
],
"chemical_system": "C-Fe-H-N-Na-O",
"density": 1.4538821852755583,
"density_atomic": 0.09527127951922354,
"volume": 1007.648899904083,
"volume_molar": 6.321045324876602,
"formula_full": "Na2 Fe2 H44 C20 N4 O24",
"formula_reduced": "NaFeH22C10(NO6)2",
"formula_anonymous": "ABC2D10E12F22",
"energy": -587.9263495099999,
"energy_per_atom": -6.124232807395832,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -565.48234951,
"band_gap": 2.5615,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 9.9976038,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:05.836000Z",
"spacegroup": 2
}
]
}