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{
"count": 146323,
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"results": [
{
"id": "mp-1206091",
"created_at": "2022-09-04T14:46:40.263666Z",
"structure_string": "Nd2 Zn1 Sb3\n1.0\n9.629808 0.000000 0.000000\n0.000000 9.629808 0.000000\n0.000000 0.000000 41.054780\nNd Zn Sb\n2 1 3\ndirect\n0.500000 0.500000 0.242978 Nd\n0.500000 0.500000 0.757022 Nd\n0.500000 0.500000 0.500000 Zn\n0.500000 0.500000 0.691187 Sb\n0.500000 0.500000 0.308813 Sb\n0.500000 0.500000 0.000000 Sb\n",
"nsites": 6,
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"elements": [
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"Zn",
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],
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"density": 0.3136775852979132,
"density_atomic": 0.001575985671798364,
"volume": 3807.141211603386,
"volume_molar": 382.11900449120895,
"formula_full": "Nd2 Zn1 Sb3",
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},
{
"id": "mp-680306",
"created_at": "2022-09-04T14:39:35.380177Z",
"structure_string": "Rb56 Si40 O68\n1.0\n8.000233 0.000000 0.000000\n0.000000 14.730443 0.000000\n0.000000 6.954067 32.231335\nRb Si O\n56 40 68\ndirect\n0.946438 0.204049 0.742495 Rb\n0.402340 0.420937 0.287667 Rb\n0.361448 0.799440 0.639311 Rb\n0.030604 0.177936 0.628549 Rb\n0.136668 0.574024 0.215341 Rb\n0.097660 0.920937 0.787667 Rb\n0.861448 0.700560 0.860689 Rb\n0.098715 0.209040 0.855418 Rb\n0.401285 0.709040 0.355418 Rb\n0.011037 0.705512 0.741866 Rb\n0.632300 0.856559 0.527756 Rb\n0.457358 0.050999 0.933876 Rb\n0.902340 0.079063 0.212333 Rb\n0.509756 0.491755 0.066359 Rb\n0.363332 0.074024 0.715341 Rb\n0.597660 0.579063 0.712333 Rb\n0.629317 0.626622 0.467063 Rb\n0.490244 0.508245 0.933641 Rb\n0.870683 0.126622 0.967063 Rb\n0.042642 0.550999 0.433876 Rb\n0.444976 0.552520 0.609852 Rb\n0.598715 0.290960 0.644582 Rb\n0.370683 0.373378 0.532937 Rb\n0.947907 0.680536 0.615614 Rb\n0.129317 0.873378 0.032937 Rb\n0.469396 0.677936 0.128549 Rb\n0.132300 0.643441 0.972244 Rb\n0.553562 0.704049 0.242495 Rb\n0.901285 0.790960 0.144582 Rb\n0.863332 0.425976 0.784659 Rb\n0.552093 0.180536 0.115614 Rb\n0.969396 0.822064 0.371451 Rb\n0.516225 0.050400 0.608185 Rb\n0.052093 0.319464 0.384386 Rb\n0.488963 0.205512 0.241866 Rb\n0.867700 0.356559 0.027756 Rb\n0.367700 0.143441 0.472244 Rb\n0.944976 0.947480 0.890148 Rb\n0.530604 0.322064 0.871451 Rb\n0.638552 0.200560 0.360689 Rb\n0.983775 0.550400 0.108185 Rb\n0.483775 0.949600 0.391815 Rb\n0.009756 0.008245 0.433641 Rb\n0.053562 0.795951 0.257505 Rb\n0.555024 0.447480 0.390148 Rb\n0.511037 0.794488 0.758134 Rb\n0.138552 0.299440 0.139311 Rb\n0.055024 0.052520 0.109852 Rb\n0.990244 0.991755 0.566359 Rb\n0.636668 0.925976 0.284659 Rb\n0.016225 0.449600 0.891815 Rb\n0.446438 0.295951 0.757505 Rb\n0.988963 0.294488 0.258134 Rb\n0.542642 0.949001 0.066124 Rb\n0.957358 0.449001 0.566124 Rb\n0.447907 0.819464 0.884386 Rb\n0.104623 0.935393 0.675840 Si\n0.816366 0.474478 0.301345 Si\n0.762238 0.854308 0.654044 Si\n0.706881 0.145650 0.840559 Si\n0.395377 0.435393 0.175840 Si\n0.270845 0.154203 0.020171 Si\n0.293119 0.854350 0.159441 Si\n0.237762 0.145692 0.345956 Si\n0.227506 0.985571 0.298214 Si\n0.895377 0.064607 0.324160 Si\n0.737762 0.354308 0.154044 Si\n0.641133 0.939722 0.173675 Si\n0.514343 0.247882 0.992515 Si\n0.772494 0.014429 0.701786 Si\n0.485657 0.752118 0.007485 Si\n0.789052 0.180521 0.476340 Si\n0.210948 0.819479 0.523660 Si\n0.710948 0.680521 0.976340 Si\n0.262238 0.645692 0.845956 Si\n0.255914 0.772445 0.457464 Si\n0.858867 0.439722 0.673675 Si\n0.727506 0.514429 0.201786 Si\n0.770845 0.345797 0.479829 Si\n0.604623 0.564607 0.824160 Si\n0.183634 0.525522 0.698655 Si\n0.141133 0.560278 0.326325 Si\n0.744086 0.227555 0.542536 Si\n0.229155 0.654203 0.520171 Si\n0.206881 0.354350 0.659441 Si\n0.985657 0.747882 0.492515 Si\n0.729155 0.845797 0.979829 Si\n0.014343 0.252118 0.507485 Si\n0.755914 0.727555 0.042536 Si\n0.289052 0.319479 0.023660 Si\n0.793119 0.645650 0.340559 Si\n0.316366 0.025522 0.198655 Si\n0.272494 0.485571 0.798214 Si\n0.358867 0.060278 0.826325 Si\n0.244086 0.272445 0.957464 Si\n0.683634 0.974478 0.801345 Si\n0.706594 0.885749 0.605750 O\n0.247298 0.622021 0.671373 O\n0.004111 0.636805 0.339812 O\n0.723248 0.980934 0.751487 O\n0.520739 0.504247 0.198936 O\n0.762228 0.247270 0.815231 O\n0.737772 0.747270 0.315231 O\n0.790826 0.617173 0.182736 O\n0.978672 0.511847 0.695860 O\n0.722971 0.625031 0.788976 O\n0.803393 0.997602 0.362987 O\n0.495889 0.136805 0.839812 O\n0.264313 0.614444 0.290491 O\n0.020739 0.995753 0.301064 O\n0.223248 0.519066 0.748513 O\n0.752702 0.377979 0.328627 O\n0.478672 0.988153 0.804140 O\n0.028031 0.135861 0.342284 O\n0.793406 0.385749 0.105750 O\n0.222971 0.874969 0.711024 O\n0.277029 0.374969 0.211024 O\n0.773481 0.499818 0.632086 O\n0.185607 0.565480 0.820195 O\n0.696607 0.497602 0.862987 O\n0.237772 0.752730 0.184769 O\n0.764313 0.885556 0.209509 O\n0.521328 0.011847 0.195860 O\n0.685607 0.934520 0.679805 O\n0.735687 0.385556 0.709509 O\n0.979261 0.004247 0.698936 O\n0.209174 0.382827 0.817264 O\n0.262228 0.252730 0.684769 O\n0.971969 0.864139 0.657716 O\n0.814393 0.434520 0.179805 O\n0.747298 0.877979 0.828627 O\n0.297016 0.247305 0.322161 O\n0.235687 0.114444 0.790491 O\n0.252702 0.122021 0.171373 O\n0.273481 0.000182 0.867914 O\n0.290826 0.882827 0.317264 O\n0.772974 0.119553 0.888034 O\n0.276470 0.434668 0.685831 O\n0.206594 0.614251 0.894250 O\n0.272974 0.380447 0.611966 O\n0.223530 0.934668 0.185831 O\n0.303393 0.502398 0.137013 O\n0.727026 0.619553 0.388034 O\n0.471969 0.635861 0.842284 O\n0.709174 0.117173 0.682736 O\n0.479261 0.495753 0.801064 O\n0.777029 0.125031 0.288976 O\n0.995889 0.363195 0.660188 O\n0.702984 0.752695 0.677839 O\n0.196607 0.002398 0.637013 O\n0.776470 0.065332 0.814169 O\n0.276752 0.019066 0.248513 O\n0.776752 0.480934 0.251487 O\n0.314393 0.065480 0.320195 O\n0.226519 0.500182 0.367914 O\n0.528031 0.364139 0.157716 O\n0.723530 0.565332 0.314169 O\n0.293406 0.114251 0.394250 O\n0.021328 0.488153 0.304140 O\n0.797016 0.252695 0.177839 O\n0.504111 0.863195 0.160188 O\n0.726519 0.999818 0.132086 O\n0.202984 0.747305 0.822161 O\n0.227026 0.880447 0.111966 O\n",
"nsites": 164,
"nelements": 3,
"elements": [
"Rb",
"Si",
"O"
],
"chemical_system": "O-Rb-Si",
"density": 3.0591444456892707,
"density_atomic": 0.04317646779414221,
"volume": 3798.365368420666,
"volume_molar": 13.947738357645434,
"formula_full": "Rb56 Si40 O68",
"formula_reduced": "Rb14Si10O17",
"formula_anonymous": "A10B14C17",
"energy": -967.14364855,
"energy_per_atom": -5.897217369207317,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -920.42764855,
"band_gap": 1.4386,
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"is_magnetic": false,
"total_magnetization": 0.0050668,
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"updated_at": "2021-11-28T01:34:30.863000Z",
"spacegroup": 14
},
{
"id": "mp-569386",
"created_at": "2022-09-04T14:43:06.956945Z",
"structure_string": "P24 N8 Cl96\n1.0\n21.761794 0.000000 0.000000\n0.000000 12.172178 0.000000\n0.000000 4.200451 14.332423\nP N Cl\n24 8 96\ndirect\n0.707239 0.929037 0.129443 P\n0.470004 0.791833 0.666620 P\n0.775150 0.009398 0.953202 P\n0.036576 0.755071 0.657315 P\n0.716274 0.412762 0.064090 P\n0.283726 0.587238 0.935910 P\n0.724850 0.509398 0.453202 P\n0.970004 0.708167 0.833380 P\n0.470331 0.760571 0.284536 P\n0.529996 0.208167 0.333380 P\n0.463424 0.255071 0.157315 P\n0.529669 0.239429 0.715464 P\n0.275150 0.490602 0.546798 P\n0.207239 0.570963 0.370557 P\n0.224850 0.990602 0.046798 P\n0.783726 0.912762 0.564090 P\n0.963424 0.244929 0.342685 P\n0.029996 0.291833 0.166620 P\n0.792761 0.429037 0.629443 P\n0.970331 0.739429 0.215464 P\n0.216274 0.087238 0.435910 P\n0.536576 0.744929 0.842685 P\n0.029669 0.260571 0.784536 P\n0.292761 0.070963 0.870557 P\n0.015427 0.294245 0.269125 N\n0.240896 0.012390 0.940888 N\n0.484573 0.794245 0.769125 N\n0.515427 0.205755 0.230875 N\n0.759104 0.987610 0.059112 N\n0.259104 0.512390 0.440888 N\n0.984573 0.705755 0.730875 N\n0.740896 0.487610 0.559112 N\n0.409314 0.850776 0.352972 Cl\n0.450768 0.422288 0.130784 Cl\n0.783538 0.865769 0.915544 Cl\n0.695557 0.764838 0.137273 Cl\n0.455045 0.635599 0.656103 Cl\n0.532382 0.670892 0.214431 Cl\n0.223737 0.505147 0.858080 Cl\n0.796302 0.338764 0.014638 Cl\n0.536595 0.856580 0.576580 Cl\n0.296302 0.161236 0.485362 Cl\n0.723737 0.994853 0.641920 Cl\n0.617729 0.816658 0.803556 Cl\n0.893087 0.827920 0.254313 Cl\n0.950768 0.077712 0.369216 Cl\n0.451238 0.150428 0.677469 Cl\n0.709904 0.263340 0.183933 Cl\n0.125821 0.497405 0.401574 Cl\n0.960930 0.602368 0.346092 Cl\n0.395420 0.882896 0.621895 Cl\n0.544955 0.364401 0.343897 Cl\n0.354411 0.410015 0.573427 Cl\n0.804443 0.264838 0.637273 Cl\n0.843152 0.832904 0.485243 Cl\n0.790096 0.763340 0.683933 Cl\n0.854411 0.089985 0.926573 Cl\n0.485107 0.225291 0.038044 Cl\n0.863114 0.988269 0.612758 Cl\n0.363114 0.511731 0.887242 Cl\n0.382271 0.183342 0.196444 Cl\n0.981084 0.875770 0.086941 Cl\n0.963405 0.356580 0.076580 Cl\n0.590686 0.149224 0.647028 Cl\n0.636886 0.488269 0.112758 Cl\n0.514893 0.774709 0.961956 Cl\n0.229110 0.562289 0.244763 Cl\n0.304443 0.235162 0.862727 Cl\n0.014893 0.725291 0.538044 Cl\n0.723729 0.563457 0.943089 Cl\n0.276271 0.436543 0.056911 Cl\n0.467618 0.329108 0.785569 Cl\n0.276263 0.005147 0.358080 Cl\n0.776263 0.494853 0.141920 Cl\n0.967618 0.170892 0.714431 Cl\n0.036595 0.643420 0.923420 Cl\n0.776271 0.063457 0.443089 Cl\n0.374179 0.997405 0.901574 Cl\n0.117729 0.683342 0.696444 Cl\n0.909314 0.649224 0.147028 Cl\n0.213040 0.396713 0.631975 Cl\n0.286960 0.896713 0.131975 Cl\n0.716462 0.365769 0.415544 Cl\n0.548762 0.849572 0.322531 Cl\n0.290096 0.736660 0.816067 Cl\n0.039070 0.397632 0.653908 Cl\n0.216462 0.134231 0.084456 Cl\n0.223729 0.936543 0.556911 Cl\n0.343152 0.667096 0.014757 Cl\n0.951238 0.349572 0.822531 Cl\n0.481084 0.624230 0.413059 Cl\n0.106913 0.172080 0.745687 Cl\n0.270890 0.062289 0.744763 Cl\n0.549232 0.577712 0.869216 Cl\n0.713040 0.103287 0.868025 Cl\n0.195557 0.735162 0.362727 Cl\n0.625821 0.002595 0.098426 Cl\n0.729110 0.937711 0.255237 Cl\n0.145589 0.910015 0.073427 Cl\n0.786960 0.603287 0.368025 Cl\n0.048762 0.650428 0.177469 Cl\n0.090686 0.350776 0.852972 Cl\n0.604580 0.117104 0.378105 Cl\n0.645589 0.589985 0.426573 Cl\n0.209904 0.236660 0.316067 Cl\n0.203698 0.661236 0.985362 Cl\n0.882271 0.316658 0.303556 Cl\n0.283538 0.634231 0.584456 Cl\n0.136886 0.011731 0.387242 Cl\n0.895420 0.617104 0.878105 Cl\n0.656848 0.332904 0.985243 Cl\n0.044955 0.135599 0.156103 Cl\n0.985107 0.274709 0.461956 Cl\n0.874179 0.502595 0.598426 Cl\n0.018916 0.124230 0.913059 Cl\n0.156848 0.167096 0.514757 Cl\n0.032382 0.829108 0.285569 Cl\n0.770890 0.437711 0.755237 Cl\n0.955045 0.864401 0.843897 Cl\n0.539070 0.102368 0.846092 Cl\n0.518916 0.375770 0.586941 Cl\n0.104580 0.382896 0.121895 Cl\n0.463405 0.143420 0.423420 Cl\n0.460930 0.897632 0.153908 Cl\n0.606913 0.327920 0.754313 Cl\n0.393087 0.672080 0.245687 Cl\n0.049232 0.922288 0.630784 Cl\n0.703698 0.838764 0.514638 Cl\n",
"nsites": 128,
"nelements": 3,
"elements": [
"P",
"N",
"Cl"
],
"chemical_system": "Cl-N-P",
"density": 1.8627953527839658,
"density_atomic": 0.03371532596621772,
"volume": 3796.493028964163,
"volume_molar": 17.861730792797616,
"formula_full": "P24 N8 Cl96",
"formula_reduced": "P3NCl12",
"formula_anonymous": "AB3C12",
"energy": -511.2475067,
"energy_per_atom": -3.99412114609375,
"energy_above_hull": null,
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"band_gap": 1.7955,
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"updated_at": "2021-11-28T01:35:56.027000Z",
"spacegroup": 14
},
{
"id": "mp-1196639",
"created_at": "2022-09-04T14:42:49.462310Z",
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0.005196 B\n0.263696 0.687135 0.505196 B\n0.094333 0.861722 0.917192 B\n0.405667 0.361722 0.417192 B\n0.905667 0.138278 0.082808 B\n0.594333 0.638278 0.582808 B\n0.721475 0.824339 0.105561 P\n0.778525 0.324339 0.605561 P\n0.278525 0.175661 0.894439 P\n0.221475 0.675661 0.394439 P\n0.204835 0.793241 0.919261 P\n0.295165 0.293241 0.419261 P\n0.795165 0.206759 0.080739 P\n0.704835 0.706759 0.580739 P\n0.704185 0.669248 0.076969 H\n0.795815 0.169248 0.576969 H\n0.295815 0.330752 0.923031 H\n0.204185 0.830752 0.423031 H\n0.604373 0.711213 0.043214 H\n0.895627 0.211213 0.543214 H\n0.395627 0.288787 0.956786 H\n0.104373 0.788787 0.456786 H\n0.621175 0.733503 0.152462 H\n0.878825 0.233503 0.652462 H\n0.378825 0.266497 0.847538 H\n0.121175 0.766497 0.347538 H\n0.585743 0.906986 0.184836 H\n0.914257 0.406986 0.684836 H\n0.414257 0.093014 0.815164 H\n0.085743 0.593014 0.315164 H\n0.573581 0.872179 0.073966 H\n0.926419 0.372179 0.573966 H\n0.426419 0.127821 0.926034 H\n0.073581 0.627821 0.426034 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"nsites": 328,
"nelements": 6,
"elements": [
"K",
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"B",
"P",
"H",
"C"
],
"chemical_system": "B-C-H-K-P-Si",
"density": 0.9530539863069554,
"density_atomic": 0.08639753953010698,
"volume": 3796.4044090133116,
"volume_molar": 6.970268821025236,
"formula_full": "K8 Si16 B8 P8 H216 C72",
"formula_reduced": "KSi2BP(H3C)9",
"formula_anonymous": "ABCD2E9F27",
"energy": -1656.61096414,
"energy_per_atom": -5.0506431833536585,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1656.61096414,
"band_gap": 2.7658,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 9e-07,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:51.467000Z",
"spacegroup": 14
},
{
"id": "mp-1257168",
"created_at": "2022-09-04T14:44:56.039542Z",
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{
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{
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},
{
"id": "mp-667336",
"created_at": "2022-09-04T14:41:46.210013Z",
"structure_string": "Cs16 Zr12 Te64\n1.0\n19.784849 0.000000 0.000000\n0.000000 12.217208 0.000000\n0.000000 8.968954 15.578705\nCs Zr Te\n16 12 64\ndirect\n0.845822 0.833226 0.085954 Cs\n0.345822 0.166774 0.414046 Cs\n0.140780 0.307610 0.556853 Cs\n0.140060 0.745757 0.604533 Cs\n0.626837 0.266426 0.654110 Cs\n0.640780 0.692390 0.943147 Cs\n0.126837 0.733574 0.845890 Cs\n0.859940 0.254243 0.395467 Cs\n0.373163 0.733574 0.345890 Cs\n0.654178 0.833226 0.585954 Cs\n0.359220 0.307610 0.056853 Cs\n0.859220 0.692390 0.443147 Cs\n0.640060 0.254243 0.895467 Cs\n0.873163 0.266426 0.154110 Cs\n0.154178 0.166774 0.914046 Cs\n0.359940 0.745757 0.104533 Cs\n0.116078 0.899069 0.251467 Zr\n0.383922 0.899069 0.751467 Zr\n0.114595 0.239912 0.230708 Zr\n0.382891 0.584792 0.708022 Zr\n0.385405 0.239912 0.730708 Zr\n0.885405 0.760088 0.769292 Zr\n0.117109 0.584792 0.208022 Zr\n0.883922 0.100931 0.748533 Zr\n0.617109 0.415208 0.291978 Zr\n0.616078 0.100931 0.248533 Zr\n0.614595 0.760088 0.269292 Zr\n0.882891 0.415208 0.791978 Zr\n0.052519 0.324336 0.342514 Te\n0.229107 0.425246 0.198206 Te\n0.323711 0.781952 0.542780 Te\n0.958279 0.000300 0.649872 Te\n0.547369 0.516943 0.391955 Te\n0.823711 0.218048 0.957220 Te\n0.467067 0.455591 0.270139 Te\n0.238597 0.972754 0.146417 Te\n0.236416 0.511562 0.317279 Te\n0.770893 0.574754 0.801794 Te\n0.772758 0.947460 0.731774 Te\n0.432253 0.851684 0.610509 Te\n0.652532 0.624454 0.454540 Te\n0.967067 0.544409 0.229861 Te\n0.729107 0.574754 0.301794 Te\n0.736416 0.488438 0.182721 Te\n0.034086 0.059448 0.775503 Te\n0.947481 0.675664 0.657486 Te\n0.152532 0.375546 0.045460 Te\n0.965914 0.940552 0.224497 Te\n0.319676 0.697974 0.912301 Te\n0.932253 0.148316 0.889491 Te\n0.847468 0.624454 0.954540 Te\n0.272758 0.052540 0.768226 Te\n0.180324 0.697974 0.412301 Te\n0.067747 0.851684 0.110509 Te\n0.532933 0.544409 0.729861 Te\n0.176289 0.781952 0.042780 Te\n0.933318 0.367330 0.651021 Te\n0.054254 0.161049 0.114856 Te\n0.763584 0.488438 0.682721 Te\n0.465914 0.059448 0.275503 Te\n0.261403 0.972754 0.646417 Te\n0.541721 0.000300 0.149872 Te\n0.047369 0.483057 0.108045 Te\n0.761403 0.027246 0.853583 Te\n0.032933 0.455591 0.770139 Te\n0.646218 0.899078 0.081390 Te\n0.567747 0.148316 0.389491 Te\n0.738597 0.027246 0.353583 Te\n0.347468 0.375546 0.545460 Te\n0.458279 0.999700 0.850128 Te\n0.146218 0.100922 0.418610 Te\n0.447481 0.324336 0.842514 Te\n0.353782 0.100922 0.918610 Te\n0.445746 0.161049 0.614856 Te\n0.452631 0.483057 0.608045 Te\n0.433318 0.632670 0.848979 Te\n0.945746 0.838951 0.885144 Te\n0.041721 0.999700 0.350128 Te\n0.227242 0.052540 0.268226 Te\n0.727242 0.947460 0.231774 Te\n0.066682 0.632670 0.348979 Te\n0.270893 0.425246 0.698206 Te\n0.566682 0.367330 0.151021 Te\n0.676289 0.218048 0.457220 Te\n0.263584 0.511562 0.817279 Te\n0.952631 0.516943 0.891955 Te\n0.552519 0.675664 0.157486 Te\n0.853782 0.899078 0.581390 Te\n0.819676 0.302026 0.587699 Te\n0.680324 0.302026 0.087699 Te\n0.534086 0.940552 0.724497 Te\n0.554254 0.838951 0.385144 Te\n",
"nsites": 92,
"nelements": 3,
"elements": [
"Cs",
"Zr",
"Te"
],
"chemical_system": "Cs-Te-Zr",
"density": 5.021625200428186,
"density_atomic": 0.024431591926794866,
"volume": 3765.616267481155,
"volume_molar": 24.648990446649265,
"formula_full": "Cs16 Zr12 Te64",
"formula_reduced": "Cs4Zr3Te16",
"formula_anonymous": "A3B4C16",
"energy": -413.34327292000006,
"energy_per_atom": -4.4928616621739135,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -386.3352729200001,
"band_gap": 0.8069999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1585803,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:23.447000Z",
"spacegroup": 14
}
]
}