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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=111",
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"results": [
{
"id": "jvasp-48346",
"created_at": "2022-09-04T14:36:32.637203Z",
"updated_at": "2022-09-04T14:36:32.637232Z",
"structure_string": "Li5 Mn3 Cr2 O10\n1.0\n5.113462 0.007399 -0.012536\n-0.851569 5.068503 0.001974\n-2.401022 -2.246766 6.946290\nLi Mn Cr O\n5 3 2 10\ndirect\n0.082654 0.794324 0.583580 Li\n0.717360 0.607613 0.220276 Li\n0.501668 0.499479 0.500384 Li\n0.920630 0.204808 0.417114 Li\n0.286039 0.391353 0.780426 Li\n0.501721 0.999471 0.000365 Mn\n0.106550 0.306782 0.106681 Mn\n0.896899 0.692166 0.894054 Mn\n0.699495 0.099657 0.692697 Cr\n0.303927 0.899299 0.308040 Cr\n0.317588 0.133388 0.549414 O\n0.914485 0.926765 0.145708 O\n0.685835 0.865579 0.451318 O\n0.291443 0.673642 0.044117 O\n0.532396 0.769749 0.766862 O\n0.115019 0.550172 0.336102 O\n0.888397 0.448780 0.664627 O\n0.471060 0.229199 0.233879 O\n0.712012 0.325302 0.956623 O\n0.088960 0.072186 0.855018 O\n",
"nsites": 20,
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"density_atomic": 0.11115988800662197,
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"formula_full": "Li5 Mn3 Cr2 O10",
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"formula_anonymous": "A2B3C5D10",
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"spacegroup": 2
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{
"id": "jvasp-96947",
"created_at": "2022-09-04T14:36:32.765027Z",
"updated_at": "2022-09-04T14:36:32.765052Z",
"structure_string": "Na4 Ca6 Si12 O32\n1.0\n6.842979 -0.042123 -2.451401\n-2.023460 9.969665 -1.092427\n-0.047264 0.015185 10.690653\nNa Ca Si O\n4 6 12 32\ndirect\n0.648122 0.418454 0.818163 Na\n0.603097 0.865104 0.520213 Na\n0.396903 0.134896 0.479786 Na\n0.351878 0.581545 0.181837 Na\n0.034634 0.878097 0.878220 Ca\n0.537309 0.867301 0.887247 Ca\n0.965366 0.121903 0.121780 Ca\n0.097416 0.849656 0.516991 Ca\n0.902585 0.150343 0.483009 Ca\n0.462691 0.132698 0.112752 Ca\n0.847251 0.683432 0.070727 Si\n0.751305 0.134715 0.769273 Si\n0.681165 0.870093 0.230419 Si\n0.248695 0.865285 0.230726 Si\n0.207276 0.586919 0.855268 Si\n0.612055 0.399693 0.358156 Si\n0.152750 0.316567 0.929272 Si\n0.318836 0.129907 0.769580 Si\n0.792725 0.413080 0.144731 Si\n0.183569 0.399972 0.373141 Si\n0.387945 0.600307 0.641843 Si\n0.816431 0.600027 0.626859 Si\n0.267509 0.741973 0.922021 O\n0.674228 0.975796 0.125539 O\n0.601617 0.559280 0.648790 O\n0.220726 0.482801 0.964968 O\n0.459644 0.815608 0.238793 O\n0.206397 0.250656 0.063456 O\n0.793603 0.749343 0.936544 O\n0.830415 0.930895 0.383475 O\n0.974551 0.542481 0.747840 O\n0.025450 0.457519 0.252159 O\n0.911820 0.281114 0.838267 O\n0.169586 0.069105 0.616524 O\n0.616283 0.242390 0.359056 O\n0.732491 0.258026 0.077979 O\n0.729176 0.087554 0.615511 O\n0.383717 0.757609 0.640943 O\n0.362459 0.552726 0.779203 O\n0.779274 0.517199 0.035032 O\n0.194781 0.974435 0.129203 O\n0.637541 0.447273 0.220797 O\n0.112126 0.241159 0.366935 O\n0.540357 0.184391 0.761206 O\n0.731590 0.729473 0.171256 O\n0.270825 0.912446 0.384488 O\n0.787814 0.504470 0.485033 O\n0.398383 0.440719 0.351210 O\n0.805219 0.025564 0.870797 O\n0.887875 0.758840 0.633064 O\n0.268410 0.270527 0.828744 O\n0.212187 0.495529 0.514966 O\n0.088180 0.718885 0.161732 O\n0.325772 0.024204 0.874460 O\n",
"nsites": 54,
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"elements": [
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"Ca",
"Si",
"O"
],
"chemical_system": "Ca-Na-O-Si",
"density": 2.6968030113968697,
"density_atomic": 0.07423085569702845,
"volume": 727.460292528484,
"volume_molar": 8.112719035032049,
"formula_full": "Na4 Ca6 Si12 O32",
"formula_reduced": "Na2Ca3(Si3O8)2",
"formula_anonymous": "A2B3C6D16",
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"spacegroup": 2
},
{
"id": "jvasp-96955",
"created_at": "2022-09-04T14:36:32.914128Z",
"updated_at": "2022-09-04T14:36:32.914154Z",
"structure_string": "P6 Ir2 O18\n1.0\n5.000713 -0.023155 -0.228538\n-0.384941 6.877995 -1.048224\n-0.034928 -0.035574 10.282019\nP Ir O\n6 2 18\ndirect\n-0.004761 0.312884 0.632820 P\n0.029781 0.969721 0.185616 P\n0.970218 0.030280 0.814384 P\n0.004761 0.687116 0.367180 P\n0.737669 0.326832 0.222147 P\n0.262330 0.673168 0.777854 P\n0.500000 0.500000 0.500000 Ir\n0.500000 0.000000 -0.000000 Ir\n0.156524 0.328592 0.514592 O\n0.320706 0.935375 0.165567 O\n0.697236 0.331414 0.616774 O\n0.006959 0.804159 0.773340 O\n0.880405 0.539601 0.239105 O\n0.425453 0.697846 0.661642 O\n0.574546 0.302155 0.338358 O\n0.993040 0.195842 0.226660 O\n0.167065 0.118313 0.926171 O\n0.679293 0.064626 0.834433 O\n0.601539 0.285434 0.085906 O\n0.832934 0.881687 0.073829 O\n0.843475 0.671408 0.485409 O\n0.119594 0.460400 0.760895 O\n0.040290 0.109346 0.680259 O\n0.959709 0.890654 0.319741 O\n0.398460 0.714566 0.914095 O\n0.302763 0.668587 0.383226 O\n",
"nsites": 26,
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"elements": [
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],
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"density": 4.033785031585381,
"density_atomic": 0.07358939077775065,
"volume": 353.3117984156618,
"volume_molar": 8.18343608549177,
"formula_full": "P6 Ir2 O18",
"formula_reduced": "P3IrO9",
"formula_anonymous": "AB3C9",
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"spacegroup": 2
},
{
"id": "jvasp-52273",
"created_at": "2022-09-04T14:36:33.014648Z",
"updated_at": "2022-09-04T14:36:33.014673Z",
"structure_string": "Mg9 Cu1 O10\n1.0\n-3.008131 0.006741 -0.029986\n1.480412 6.492064 0.023274\n-0.151927 -2.002534 -9.753275\nMg Cu O\n9 1 10\ndirect\n0.604467 0.200451 0.800349 Mg\n0.226740 0.401903 0.602922 Mg\n0.297316 0.599928 0.901088 Mg\n0.690300 0.397492 0.100863 Mg\n0.911624 0.800974 0.699616 Mg\n0.811143 0.595485 0.401197 Mg\n0.518676 0.003415 0.499832 Mg\n0.397868 0.805428 0.199510 Mg\n-0.017782 -0.001001 0.997775 Mg\n0.104526 0.200469 0.300347 Cu\n0.067395 0.100725 0.650838 O\n0.141551 0.300176 0.949859 O\n0.710374 0.305026 0.457930 O\n0.498614 0.095875 0.142765 O\n0.759173 0.501419 0.751328 O\n0.252303 0.501021 0.250761 O\n0.369374 0.701571 0.549978 O\n0.449763 0.899482 0.849371 O\n0.839591 0.699333 0.050724 O\n0.956714 0.899891 0.349937 O\n",
"nsites": 20,
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"elements": [
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],
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"density": 3.855527839092705,
"density_atomic": 0.10499352842234635,
"volume": 190.4879310232162,
"volume_molar": 5.735725668514894,
"formula_full": "Mg9 Cu1 O10",
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"formula_anonymous": "AB9C10",
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"spacegroup": 2
},
{
"id": "jvasp-48296",
"created_at": "2022-09-04T14:36:33.273065Z",
"updated_at": "2022-09-04T14:36:33.273094Z",
"structure_string": "Li3 V2 Fe3 O10\n1.0\n4.990983 -0.204105 0.041884\n0.880668 4.811852 0.258449\n2.190731 1.957123 6.973115\nLi V Fe O\n3 2 3 10\ndirect\n0.505414 0.784899 0.408064 Li\n0.000000 0.500000 0.500000 Li\n0.494586 0.215102 0.591935 Li\n-0.017140 0.839700 0.706833 V\n0.017140 0.160300 0.293166 V\n0.500000 0.000001 -0.000000 Fe\n0.990588 0.310689 0.893292 Fe\n0.009412 0.689311 0.106707 Fe\n0.233254 0.363442 0.043995 O\n0.773328 0.210927 0.753888 O\n0.769748 0.449936 0.342981 O\n0.230253 0.550064 0.657018 O\n0.206554 0.965572 0.859669 O\n0.766746 0.636558 0.956004 O\n0.774102 0.868974 0.543400 O\n0.225898 0.131027 0.456599 O\n0.226672 0.789074 0.246111 O\n0.793446 0.034429 0.140330 O\n",
"nsites": 18,
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"elements": [
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],
"chemical_system": "Fe-Li-O-V",
"density": 4.511709490599056,
"density_atomic": 0.10862387271982123,
"volume": 165.70942969809468,
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"formula_full": "Li3 V2 Fe3 O10",
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"formula_anonymous": "A2B3C3D10",
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"spacegroup": 2
},
{
"id": "jvasp-96774",
"created_at": "2022-09-04T14:36:33.554861Z",
"updated_at": "2022-09-04T14:36:33.554884Z",
"structure_string": "K4 Mo4 O14\n1.0\n6.425337 0.154927 2.596197\n0.064033 7.192561 0.937457\n-0.025016 -0.014236 7.554726\nK Mo O\n4 4 14\ndirect\n0.236145 0.617790 0.434877 K\n0.763855 0.382210 0.565125 K\n0.303117 0.159065 0.155290 K\n0.696882 0.840934 0.844712 K\n0.825790 0.349271 0.054183 Mo\n0.749349 0.913548 0.313751 Mo\n0.250651 0.086452 0.686250 Mo\n0.174209 0.650729 0.945818 Mo\n0.386450 0.538044 0.786189 O\n0.613549 0.461956 0.213813 O\n0.710865 0.206828 0.952635 O\n0.518932 0.089045 0.642919 O\n0.852506 0.150478 0.267044 O\n0.175097 0.230613 0.516202 O\n0.824902 0.769387 0.483800 O\n0.876319 0.814251 0.096886 O\n0.123681 0.185749 0.903116 O\n0.058613 0.469606 0.142722 O\n0.941387 0.530394 0.857279 O\n0.481067 0.910955 0.357082 O\n0.147493 0.849521 0.732957 O\n0.289134 0.793171 0.047366 O\n",
"nsites": 22,
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"elements": [
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],
"chemical_system": "K-Mo-O",
"density": 3.6294425985846708,
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"volume": 349.6107896661757,
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"formula_full": "K4 Mo4 O14",
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"spacegroup": 2
},
{
"id": "jvasp-99320",
"created_at": "2022-09-04T14:36:33.584605Z",
"updated_at": "2022-09-04T14:36:33.584627Z",
"structure_string": "Ta4 Tl8 S22\n1.0\n7.873638 -0.011283 0.159596\n0.601221 8.470247 2.689875\n-0.022643 0.012141 13.340963\nTa Tl S\n4 8 22\ndirect\n0.879828 0.634648 0.696581 Ta\n0.665435 0.892989 0.809564 Ta\n0.334566 0.107011 0.190436 Ta\n0.120172 0.365353 0.303418 Ta\n0.750064 0.580854 0.417967 Tl\n0.064851 0.762494 0.977738 Tl\n0.502607 0.718158 0.115876 Tl\n0.497393 0.281842 0.884124 Tl\n0.778986 0.032406 0.429297 Tl\n0.221015 0.967594 0.570702 Tl\n0.249937 0.419147 0.582033 Tl\n0.935150 0.237507 0.022262 Tl\n0.728825 0.600608 0.889866 S\n0.591418 0.926191 0.252400 S\n0.408582 0.073810 0.747600 S\n0.962631 0.870293 0.745893 S\n0.037369 0.129708 0.254106 S\n0.989629 0.292910 0.466055 S\n0.471856 0.683164 0.882013 S\n0.728837 0.962179 0.956196 S\n0.271164 0.037822 0.043804 S\n0.363472 0.856158 0.333467 S\n0.636528 0.143843 0.666533 S\n0.396463 0.437779 0.347956 S\n0.603537 0.562221 0.652044 S\n0.113179 0.488119 0.814119 S\n0.886821 0.511882 0.185881 S\n0.042304 0.651244 0.244001 S\n0.957697 0.348756 0.755999 S\n0.391326 0.194797 0.369628 S\n0.608674 0.805203 0.630372 S\n0.010371 0.707090 0.533945 S\n0.528145 0.316836 0.117987 S\n0.271175 0.399392 0.110134 S\n",
"nsites": 34,
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"elements": [
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"volume": 889.5967757808495,
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"spacegroup": 2
},
{
"id": "jvasp-47356",
"created_at": "2022-09-04T14:36:33.905224Z",
"updated_at": "2022-09-04T14:36:33.905247Z",
"structure_string": "Li4 Si4 W2 O14\n1.0\n5.352003 -0.019045 0.002512\n0.528986 6.045744 -0.060574\n0.444704 2.774006 8.214664\nLi Si W O\n4 4 2 14\ndirect\n0.304781 0.944137 0.149921 Li\n0.216568 0.807860 0.527589 Li\n0.783431 0.192140 0.472411 Li\n0.695219 0.055862 0.850079 Li\n0.696932 0.734674 0.344677 Si\n0.207231 0.794783 0.875054 Si\n0.792769 0.205216 0.124946 Si\n0.303068 0.265325 0.655323 Si\n0.759497 0.577080 0.719124 W\n0.240503 0.422919 0.280876 W\n0.228300 0.684906 0.070202 O\n0.287849 0.067489 0.840292 O\n0.235371 0.159633 0.509122 O\n0.581399 0.308293 0.230602 O\n0.076233 0.187269 0.192690 O\n0.923766 0.812730 0.807310 O\n0.101768 0.480435 0.654640 O\n0.764629 0.840367 0.490878 O\n0.712150 0.932510 0.159708 O\n0.771699 0.315094 0.929798 O\n0.898231 0.519565 0.345360 O\n0.601629 0.319979 0.639965 O\n0.418600 0.691707 0.769398 O\n0.398370 0.680020 0.360034 O\n",
"nsites": 24,
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"elements": [
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"W",
"O"
],
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"density": 4.554857589971044,
"density_atomic": 0.08996173774558569,
"volume": 266.78008452740954,
"volume_molar": 6.6941134207864925,
"formula_full": "Li4 Si4 W2 O14",
"formula_reduced": "Li2Si2WO7",
"formula_anonymous": "AB2C2D7",
"energy_above_hull": 3.0914893083333337,
"spacegroup": 2
},
{
"id": "jvasp-95650",
"created_at": "2022-09-04T14:36:34.012400Z",
"updated_at": "2022-09-04T14:36:34.012429Z",
"structure_string": "Na8 Cr2 O8\n1.0\n5.629780 -0.012777 0.895862\n1.850528 5.072158 1.837582\n0.014039 0.012634 8.647393\nNa Cr O\n8 2 8\ndirect\n0.759662 0.051160 0.396934 Na\n0.734659 0.606018 0.181461 Na\n0.240338 0.948839 0.603065 Na\n0.265935 0.521508 0.432281 Na\n0.753215 0.241372 0.986959 Na\n0.246786 0.758627 0.013040 Na\n0.265342 0.393981 0.818539 Na\n0.734066 0.478491 0.567718 Na\n0.720129 0.844250 0.756502 Cr\n0.279872 0.155749 0.243497 Cr\n0.525615 0.162741 0.638429 O\n0.848028 0.850840 0.928244 O\n0.474386 0.837258 0.361570 O\n0.471137 0.363674 0.196957 O\n0.528864 0.636325 0.803042 O\n0.972835 0.703460 0.622922 O\n0.027165 0.296539 0.377077 O\n0.151973 0.149159 0.071755 O\n",
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"elements": [
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],
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"volume": 246.9580452793293,
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"formula_full": "Na8 Cr2 O8",
"formula_reduced": "Na4CrO4",
"formula_anonymous": "AB4C4",
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},
{
"id": "jvasp-52403",
"created_at": "2022-09-04T14:36:34.560627Z",
"updated_at": "2022-09-04T14:36:34.560658Z",
"structure_string": "Na2 Cu1 H4 C4 O10\n1.0\n3.528449 0.026786 -0.028603\n-1.708849 7.302858 0.023614\n-1.433370 -2.696973 9.040515\nNa Cu H C O\n2 1 4 4 10\ndirect\n0.689757 0.301526 0.576027 Na\n0.310243 0.698475 0.423972 Na\n0.000000 0.000000 0.000000 Cu\n0.468954 0.531949 0.801847 H\n0.531046 0.468052 0.198153 H\n0.346147 0.325918 0.827011 H\n0.653853 0.674083 0.172988 H\n0.738533 0.026002 0.257036 C\n0.261467 0.973999 0.742963 C\n0.040232 0.219145 0.278447 C\n0.959768 0.780856 0.721553 C\n0.293823 0.400912 0.757843 O\n0.188560 0.234572 0.164909 O\n0.811440 0.765429 0.835091 O\n0.672271 0.904502 0.127547 O\n0.327729 0.095499 0.872452 O\n0.125737 0.344273 0.398850 O\n0.874263 0.655728 0.601149 O\n0.576131 -0.001671 0.358689 O\n0.423870 0.001672 0.641310 O\n0.706178 0.599089 0.242157 O\n",
"nsites": 21,
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"elements": [
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"H",
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],
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"density": 2.290354433280673,
"density_atomic": 0.09006681836970575,
"volume": 233.16022904017018,
"volume_molar": 6.686303423398784,
"formula_full": "Na2 Cu1 H4 C4 O10",
"formula_reduced": "Na2CuH4(C2O5)2",
"formula_anonymous": "AB2C4D4E10",
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"spacegroup": 2
},
{
"id": "jvasp-99327",
"created_at": "2022-09-04T14:36:35.006687Z",
"updated_at": "2022-09-04T14:36:35.006717Z",
"structure_string": "Si4 Cl8 O4\n1.0\n5.832820 0.001810 0.892507\n2.136133 7.574181 1.717647\n-0.023938 -0.020163 8.077636\nSi Cl O\n4 8 4\ndirect\n0.115505 0.687909 0.115006 Si\n0.884494 0.312091 0.884996 Si\n0.978296 0.677782 0.744084 Si\n0.021703 0.322219 0.255917 Si\n0.729559 0.331450 0.426007 Cl\n0.270441 0.668550 0.573994 Cl\n0.707436 0.889520 0.665109 Cl\n0.292564 0.110480 0.334892 Cl\n0.120955 0.110751 0.783645 Cl\n0.879044 0.889249 0.216356 Cl\n0.549848 0.283184 0.903285 Cl\n0.450151 0.716817 0.096716 Cl\n0.954785 0.309263 0.072090 O\n0.045214 0.690738 0.927912 O\n0.894603 0.498402 0.761915 O\n0.105396 0.501599 0.238086 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Si",
"Cl",
"O"
],
"chemical_system": "Cl-O-Si",
"density": 2.1385346097578215,
"density_atomic": 0.04479852386421474,
"volume": 357.15462519471254,
"volume_molar": 13.44272141254751,
"formula_full": "Si4 Cl8 O4",
"formula_reduced": "SiCl2O",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.97611005875,
"spacegroup": 2
},
{
"id": "jvasp-52404",
"created_at": "2022-09-04T14:36:35.067141Z",
"updated_at": "2022-09-04T14:36:35.067170Z",
"structure_string": "Ba1 Si1 P4 H2 O14\n1.0\n4.629662 0.000802 0.002342\n1.639266 6.441255 -0.035343\n0.714847 2.146781 8.717368\nBa Si P H O\n1 1 4 2 14\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 -0.000000 0.500000 Si\n0.412076 0.173378 0.665042 P\n0.587926 0.826621 0.334958 P\n0.090271 0.567256 0.739877 P\n0.909730 0.432742 0.260123 P\n0.542596 0.546962 0.834705 H\n0.457406 0.453037 0.165295 H\n0.879909 0.445705 0.837005 O\n0.120093 0.554294 0.162995 O\n0.920233 0.775730 0.637919 O\n0.079769 0.224268 0.362082 O\n0.716306 0.570149 0.372459 O\n0.283695 0.429850 0.627541 O\n0.146826 0.078150 0.649173 O\n0.356281 0.848488 0.463428 O\n0.853175 0.921849 0.350828 O\n0.316826 0.619316 0.836391 O\n0.488351 0.902713 0.171457 O\n0.511651 0.097285 0.828543 O\n0.643721 0.151511 0.536573 O\n0.683176 0.380683 0.163609 O\n",
"nsites": 22,
"nelements": 5,
"elements": [
"Ba",
"Si",
"P",
"H",
"O"
],
"chemical_system": "Ba-H-O-P-Si",
"density": 3.2874086957406266,
"density_atomic": 0.08451902434742704,
"volume": 260.2964263946775,
"volume_molar": 7.1251896321533055,
"formula_full": "Ba1 Si1 P4 H2 O14",
"formula_reduced": "BaSiP4(HO7)2",
"formula_anonymous": "ABC2D4E14",
"energy_above_hull": 2.9945243440909093,
"spacegroup": 2
}
]
}