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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_anonymous&page=158",
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"results": [
{
"id": "jvasp-99318",
"created_at": "2022-09-04T14:36:32.820433Z",
"updated_at": "2022-09-04T14:36:32.820455Z",
"structure_string": "Er4 Pt4 F28\n1.0\n5.375335 0.000000 0.000000\n0.000000 8.304495 -2.592377\n0.000000 0.054789 11.046861\nEr Pt F\n4 4 28\ndirect\n0.236795 0.423128 0.236705 Er\n0.736795 0.076872 0.263295 Er\n0.263204 0.923127 0.736705 Er\n0.763204 0.576872 0.763295 Er\n0.259595 0.270896 0.541668 Pt\n0.759594 0.229104 0.958332 Pt\n0.740405 0.729104 0.458332 Pt\n0.240405 0.770896 0.041668 Pt\n0.900642 0.304079 0.269174 F\n0.953528 0.350286 0.635668 F\n0.099357 0.695920 0.730825 F\n0.599356 0.804079 0.769174 F\n0.559591 0.575357 0.321156 F\n0.059591 0.924642 0.178843 F\n0.440408 0.424642 0.678843 F\n0.940408 0.075358 0.821156 F\n0.453529 0.149714 0.864331 F\n0.400643 0.195920 0.230826 F\n0.571427 0.386406 0.089917 F\n0.246709 0.432132 0.449936 F\n0.071428 0.113594 0.410083 F\n0.428572 0.613593 0.910083 F\n0.928571 0.886406 0.589917 F\n0.575998 0.192822 0.456826 F\n0.075998 0.307178 0.043174 F\n0.424001 0.807178 0.543174 F\n0.046471 0.649713 0.364331 F\n0.924001 0.692822 0.956825 F\n0.709137 0.886202 0.363149 F\n0.790862 0.386202 0.863149 F\n0.290862 0.113798 0.636850 F\n0.253291 0.932132 0.949936 F\n0.753290 0.567867 0.550063 F\n0.746708 0.067868 0.050064 F\n0.209137 0.613798 0.136850 F\n0.546471 0.850286 0.135668 F\n",
"nsites": 36,
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"elements": [
"Er",
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"F"
],
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"density": 6.661557671912634,
"density_atomic": 0.07289084319384802,
"volume": 493.889196812562,
"volume_molar": 8.261861841801643,
"formula_full": "Er4 Pt4 F28",
"formula_reduced": "ErPtF7",
"formula_anonymous": "ABC7",
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"spacegroup": 14
},
{
"id": "jvasp-121802",
"created_at": "2022-09-04T14:38:55.583076Z",
"updated_at": "2022-09-04T14:38:55.583104Z",
"structure_string": "Sb2 Pb2 F14\n1.0\n4.628096 -0.007450 -0.986834\n-0.526135 7.133059 -2.087868\n0.005039 -0.037733 7.659213\nSb Pb F\n2 2 14\ndirect\n0.351827 0.182919 0.282969 Sb\n0.648176 0.817082 0.717031 Sb\n0.830658 0.647424 0.203933 Pb\n0.169344 0.352577 0.796067 Pb\n0.791831 0.582476 0.599076 F\n0.208171 0.417525 0.400925 F\n0.344569 0.684997 0.774052 F\n0.655433 0.315004 0.225949 F\n0.413166 0.800952 0.475175 F\n0.586836 0.199048 0.524825 F\n0.484524 0.945810 0.168735 F\n0.112238 0.185232 0.046552 F\n0.951585 0.947282 0.659109 F\n0.048418 0.052718 0.340891 F\n0.281533 0.565222 0.093002 F\n0.718469 0.434779 0.906998 F\n0.515478 0.054190 0.831265 F\n0.887764 0.814769 0.953448 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Sb",
"Pb",
"F"
],
"chemical_system": "F-Pb-Sb",
"density": 6.076612339546273,
"density_atomic": 0.07129532922652185,
"volume": 252.47095700771382,
"volume_molar": 8.446753560624227,
"formula_full": "Sb2 Pb2 F14",
"formula_reduced": "SbPbF7",
"formula_anonymous": "ABC7",
"energy_above_hull": null,
"spacegroup": 2
},
{
"id": "jvasp-85754",
"created_at": "2022-09-04T14:35:59.260376Z",
"updated_at": "2022-09-04T14:35:59.260400Z",
"structure_string": "Al2 Se2 Cl14\n1.0\n6.272476 -0.022876 1.496909\n0.875423 8.128366 0.501073\n0.222430 -0.055909 9.742015\nAl Se Cl\n2 2 14\ndirect\n0.184324 0.974619 0.513887 Al\n0.477045 0.406389 0.943675 Al\n0.867265 0.370227 0.306571 Se\n0.010804 0.003867 0.979345 Se\n0.656414 0.175800 0.870384 Cl\n0.777243 0.010026 0.192949 Cl\n0.289796 0.892143 0.052742 Cl\n0.933643 0.781172 0.894718 Cl\n-0.067915 0.516550 0.724047 Cl\n-0.025140 0.597589 0.341519 Cl\n0.480441 0.588809 0.772898 Cl\n0.553239 0.509994 0.120135 Cl\n0.626870 0.336042 0.499296 Cl\n0.258423 0.171159 0.349676 Cl\n0.396792 0.762875 0.434464 Cl\n0.853673 0.937087 0.551681 Cl\n0.136913 0.356084 0.012860 Cl\n0.266971 0.069766 0.697356 Cl\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Al",
"Se",
"Cl"
],
"chemical_system": "Al-Cl-Se",
"density": 2.379265597957339,
"density_atomic": 0.03641623411057772,
"volume": 494.285047304537,
"volume_molar": 16.536967391284335,
"formula_full": "Al2 Se2 Cl14",
"formula_reduced": "AlSeCl7",
"formula_anonymous": "ABC7",
"energy_above_hull": 0.4086994043518519,
"spacegroup": 1
},
{
"id": "jvasp-97718",
"created_at": "2022-09-04T14:36:04.915408Z",
"updated_at": "2022-09-04T14:36:04.915431Z",
"structure_string": "Ta2 Pb2 F14\n1.0\n4.908956 -0.002774 0.000000\n-0.469895 6.795164 0.000000\n0.000000 0.000000 7.345875\nTa Pb F\n2 2 14\ndirect\n0.463623 0.785708 0.750000 Ta\n0.536379 0.214292 0.250000 Ta\n0.980435 0.683056 0.250000 Pb\n0.019567 0.316944 0.750000 Pb\n0.679637 0.794370 0.530240 F\n0.802059 0.358823 0.075344 F\n0.845437 0.050965 0.250000 F\n0.802059 0.358823 0.424656 F\n0.197943 0.641178 0.924657 F\n0.632439 0.060148 0.750000 F\n0.594083 0.512145 0.750000 F\n0.154565 0.949035 0.750000 F\n0.197943 0.641178 0.575344 F\n0.679637 0.794370 0.969761 F\n0.320365 0.205630 0.469761 F\n0.367562 0.939852 0.250000 F\n0.405918 0.487855 0.250000 F\n0.320365 0.205630 0.030240 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
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"F"
],
"chemical_system": "F-Pb-Ta",
"density": 7.063421266640832,
"density_atomic": 0.07346100407114523,
"volume": 245.02796044779666,
"volume_molar": 8.1977381552908,
"formula_full": "Ta2 Pb2 F14",
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"formula_anonymous": "ABC7",
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"spacegroup": 11
},
{
"id": "jvasp-97376",
"created_at": "2022-09-04T14:36:07.697849Z",
"updated_at": "2022-09-04T14:36:07.697867Z",
"structure_string": "S4 I4 Cl28\n1.0\n8.134573 -0.073508 0.000000\n-3.348148 9.836709 0.000000\n0.000000 0.000000 12.449695\nS I Cl\n4 4 28\ndirect\n0.243114 0.138918 0.084070 S\n0.743114 0.138918 0.415930 S\n0.756885 0.861082 0.915930 S\n0.256885 0.861082 0.584070 S\n0.845389 0.271948 0.903078 I\n0.654610 0.728052 0.403078 I\n0.345390 0.271948 0.596923 I\n0.154610 0.728052 0.096923 I\n0.471079 0.098741 0.107163 Cl\n0.575119 0.894612 0.275261 Cl\n0.075119 0.894612 0.224739 Cl\n0.735835 0.577432 0.535118 Cl\n0.764164 0.422568 0.035118 Cl\n0.264164 0.422568 0.464883 Cl\n0.235835 0.577432 0.964883 Cl\n0.661720 0.573672 0.251233 Cl\n0.838279 0.426327 0.751234 Cl\n0.338279 0.426327 0.748767 Cl\n0.161720 0.573673 0.248767 Cl\n0.636685 0.892968 0.561313 Cl\n0.863314 0.107032 0.061312 Cl\n0.363314 0.107032 0.438688 Cl\n0.136686 0.892968 0.938688 Cl\n0.802053 0.256726 0.551449 Cl\n0.697946 0.743274 0.051449 Cl\n0.424881 0.105388 0.724739 Cl\n0.302053 0.256726 0.948552 Cl\n0.767777 0.284517 0.300972 Cl\n0.732222 0.715483 0.800972 Cl\n0.232222 0.715483 0.699029 Cl\n0.267777 0.284517 0.199028 Cl\n0.971079 0.098741 0.392837 Cl\n0.528920 0.901259 0.892838 Cl\n0.028920 0.901259 0.607163 Cl\n0.924880 0.105388 0.775261 Cl\n0.197946 0.743274 0.448551 Cl\n",
"nsites": 36,
"nelements": 3,
"elements": [
"S",
"I",
"Cl"
],
"chemical_system": "Cl-I-S",
"density": 2.723001726738146,
"density_atomic": 0.03624908554147507,
"volume": 993.128501374467,
"volume_molar": 16.613221189013593,
"formula_full": "S4 I4 Cl28",
"formula_reduced": "SICl7",
"formula_anonymous": "ABC7",
"energy_above_hull": 0.2751038608333335,
"spacegroup": 14
},
{
"id": "jvasp-31920",
"created_at": "2022-09-04T14:37:07.623604Z",
"updated_at": "2022-09-04T14:37:07.623622Z",
"structure_string": "Fe2 Se2 Br14\n1.0\n6.489716 0.000000 0.000000\n0.000000 6.411474 -1.260008\n0.000000 0.037224 14.391633\nFe Se Br\n2 2 14\ndirect\n0.504171 0.557452 0.139910 Fe\n0.495829 0.557452 0.639910 Fe\n0.919215 0.842112 0.301619 Se\n0.080786 0.842111 0.801619 Se\n0.126160 0.118507 0.266562 Br\n0.343672 0.333171 0.511402 Br\n0.625422 0.472410 0.282607 Br\n0.656328 0.333171 0.011402 Br\n0.873840 0.118506 0.766562 Br\n0.620081 0.898617 0.141167 Br\n0.379919 0.898617 0.641167 Br\n0.132231 0.699055 0.407140 Br\n0.686891 0.041893 0.413113 Br\n0.313109 0.041892 0.913113 Br\n0.867770 0.699054 0.907140 Br\n0.145301 0.533480 0.129278 Br\n0.374578 0.472409 0.782607 Br\n0.854700 0.533480 0.629277 Br\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Fe",
"Se",
"Br"
],
"chemical_system": "Br-Fe-Se",
"density": 3.8477551853951155,
"density_atomic": 0.030044027599940126,
"volume": 599.1207383938055,
"volume_molar": 20.04438566023685,
"formula_full": "Fe2 Se2 Br14",
"formula_reduced": "FeSeBr7",
"formula_anonymous": "ABC7",
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"spacegroup": 7
},
{
"id": "jvasp-22945",
"created_at": "2022-09-04T14:38:29.707472Z",
"updated_at": "2022-09-04T14:38:29.707491Z",
"structure_string": "Ho4 Pt4 F28\n1.0\n0.000000 8.762197 0.014637\n5.412551 0.000000 0.000000\n0.000000 -5.483954 -10.594268\nHo Pt F\n4 4 28\ndirect\n0.813459 0.762626 0.236519 Ho\n0.186541 0.262626 0.263481 Ho\n0.186541 0.237373 0.763481 Ho\n0.813460 0.737373 0.736519 Ho\n0.271030 0.758992 0.041895 Pt\n0.728970 0.258992 0.458105 Pt\n0.728971 0.241008 0.958105 Pt\n0.271030 0.741008 0.541895 Pt\n0.019404 0.751484 0.450057 F\n0.716907 0.954959 0.365085 F\n0.283093 0.454959 0.134915 F\n0.283094 0.045041 0.634915 F\n0.716907 0.545041 0.865085 F\n0.745400 0.440216 0.321788 F\n0.254600 0.559784 0.678212 F\n0.254600 0.940215 0.178211 F\n0.980596 0.251484 0.049942 F\n0.965145 0.401108 0.769222 F\n0.034856 0.901107 0.730778 F\n0.745401 0.059784 0.821788 F\n0.980596 0.248516 0.549942 F\n0.477954 0.286560 0.362551 F\n0.522046 0.713440 0.637449 F\n0.477954 0.213440 0.862551 F\n0.034856 0.598892 0.230777 F\n0.522046 0.786560 0.137449 F\n0.266933 0.072592 0.957527 F\n0.733068 0.572592 0.542473 F\n0.733068 0.927407 0.042473 F\n0.266932 0.427408 0.457527 F\n0.704237 0.070609 0.589212 F\n0.295764 0.570609 0.910788 F\n0.295764 0.929391 0.410788 F\n0.704236 0.429391 0.089212 F\n0.019405 0.748516 0.950058 F\n0.965145 0.098892 0.269222 F\n",
"nsites": 36,
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"elements": [
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],
"chemical_system": "F-Ho-Pt",
"density": 6.523016850739369,
"density_atomic": 0.07171206440918951,
"volume": 502.0075812430076,
"volume_molar": 8.397667546757022,
"formula_full": "Ho4 Pt4 F28",
"formula_reduced": "HoPtF7",
"formula_anonymous": "ABC7",
"energy_above_hull": 0.0917854382407407,
"spacegroup": 14
},
{
"id": "jvasp-26735",
"created_at": "2022-09-04T14:38:29.080775Z",
"updated_at": "2022-09-04T14:38:29.080796Z",
"structure_string": "Al2 S2 Cl14\n1.0\n0.000000 6.577717 -0.111652\n6.256506 0.000000 0.000000\n0.000000 -2.806451 -11.883786\nAl S Cl\n2 2 14\ndirect\n0.540727 0.495698 0.145811 Al\n0.540727 0.504303 0.645811 Al\n0.882893 0.084938 0.305726 S\n0.882893 0.915062 0.805726 S\n0.815606 0.879244 0.421703 Cl\n0.517631 0.623673 0.809006 Cl\n0.852693 0.575638 0.623373 Cl\n0.502462 0.838273 0.136314 Cl\n0.852693 0.424362 0.123373 Cl\n0.502462 0.161728 0.636314 Cl\n0.106791 0.926392 0.245483 Cl\n0.517631 0.376328 0.309006 Cl\n0.057856 0.305321 0.405952 Cl\n0.315045 0.336795 0.018734 Cl\n0.815606 0.120757 0.921703 Cl\n0.057856 0.694679 0.905952 Cl\n0.315045 0.663206 0.518734 Cl\n0.106792 0.073609 0.745484 Cl\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Al",
"S",
"Cl"
],
"chemical_system": "Al-Cl-S",
"density": 2.077905479127682,
"density_atomic": 0.03665837376462161,
"volume": 491.02014496266344,
"volume_molar": 16.42773571644869,
"formula_full": "Al2 S2 Cl14",
"formula_reduced": "AlSCl7",
"formula_anonymous": "ABC7",
"energy_above_hull": 0.4694790302777779,
"spacegroup": 7
},
{
"id": "jvasp-22943",
"created_at": "2022-09-04T14:38:28.799493Z",
"updated_at": "2022-09-04T14:38:28.799521Z",
"structure_string": "Tl4 Sn4 F28\n1.0\n0.000000 8.753627 0.051295\n5.409093 0.000000 0.000000\n0.000000 -5.527696 -10.783338\nTl Sn F\n4 4 28\ndirect\n0.813638 0.762365 0.736710 Tl\n0.186362 0.262365 0.763290 Tl\n0.186362 0.237635 0.263290 Tl\n0.813638 0.737634 0.236710 Tl\n0.728720 0.235368 0.458564 Sn\n0.271281 0.735367 0.041436 Sn\n0.271280 0.764632 0.541437 Sn\n0.728720 0.264632 0.958564 Sn\n0.014735 0.746591 0.452418 F\n0.728489 0.048953 0.313826 F\n0.271511 0.548953 0.186174 F\n0.271511 0.951046 0.686174 F\n0.728489 0.451046 0.813826 F\n0.297261 0.464735 0.644477 F\n0.702739 0.535265 0.355523 F\n0.702739 0.964734 0.855523 F\n0.985265 0.246591 0.047582 F\n0.957050 0.115919 0.772065 F\n0.042950 0.615919 0.727936 F\n0.297261 0.035265 0.144477 F\n0.985265 0.253408 0.547582 F\n0.474442 0.173893 0.375810 F\n0.525559 0.826106 0.624190 F\n0.474441 0.326107 0.875810 F\n0.042951 0.884080 0.227936 F\n0.525559 0.673893 0.124190 F\n0.702280 0.427782 0.588395 F\n0.297720 0.927782 0.911605 F\n0.297720 0.572217 0.411605 F\n0.702280 0.072217 0.088395 F\n0.755526 0.591756 0.043736 F\n0.244475 0.091756 0.456265 F\n0.244475 0.408243 0.956265 F\n0.755526 0.908243 0.543736 F\n0.014735 0.753408 0.952418 F\n0.957050 0.384081 0.272065 F\n",
"nsites": 36,
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"elements": [
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"Sn",
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],
"chemical_system": "F-Sn-Tl",
"density": 5.9510411312602445,
"density_atomic": 0.07072017308268277,
"volume": 509.0485278918995,
"volume_molar": 8.515449690655014,
"formula_full": "Tl4 Sn4 F28",
"formula_reduced": "TlSnF7",
"formula_anonymous": "ABC7",
"energy_above_hull": 0.0,
"spacegroup": 14
},
{
"id": "jvasp-27257",
"created_at": "2022-09-04T14:37:50.815143Z",
"updated_at": "2022-09-04T14:37:50.815169Z",
"structure_string": "Fe2 Te2 Br14\n1.0\n6.747238 0.044797 -0.054240\n1.047412 8.690964 -0.023398\n2.309778 0.636040 10.070773\nFe Te Br\n2 2 14\ndirect\n0.498154 0.121204 0.119586 Fe\n0.769614 0.548329 0.557159 Fe\n0.951011 0.505446 0.082359 Te\n0.192978 0.936123 0.543699 Te\n0.331306 0.185594 0.572099 Br\n0.739196 0.340285 0.708199 Br\n0.670500 0.483974 0.364100 Br\n0.556952 0.762477 0.654758 Br\n0.113719 0.604399 0.501571 Br\n0.640650 0.626859 -0.005815 Br\n0.067575 0.756904 0.129627 Br\n0.975755 0.919966 0.776291 Br\n0.407130 0.050560 0.933998 Br\n0.492681 0.905064 0.275538 Br\n0.285854 0.332760 0.219557 Br\n0.843583 0.175865 0.065573 Br\n0.192947 0.476891 0.859287 Br\n0.910803 0.050599 0.424907 Br\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Fe",
"Te",
"Br"
],
"chemical_system": "Br-Fe-Te",
"density": 4.172342801467652,
"density_atomic": 0.030445091693269255,
"volume": 591.2283063998591,
"volume_molar": 19.780333791313115,
"formula_full": "Fe2 Te2 Br14",
"formula_reduced": "FeTeBr7",
"formula_anonymous": "ABC7",
"energy_above_hull": 0.4492891112962965,
"spacegroup": 1
},
{
"id": "jvasp-104139",
"created_at": "2022-09-04T14:36:40.001959Z",
"updated_at": "2022-09-04T14:36:40.001979Z",
"structure_string": "H6 C9 S1 O1\n1.0\n4.017425 0.000112 1.077858\n1.557706 5.704831 0.301117\n0.107149 -0.055706 7.542607\nH C S O\n6 9 1 1\ndirect\n0.351383 0.148256 0.787044 H\n0.783229 0.356201 0.972932 H\n0.587261 0.645690 0.918006 H\n0.399876 0.864026 0.416841 H\n0.942701 0.882564 0.710199 H\n0.819828 0.129343 0.492430 H\n0.882112 0.633172 0.107514 C\n0.629156 0.293838 0.544008 C\n0.367480 0.304865 0.706364 C\n0.644406 0.494563 0.437904 C\n0.136465 0.717902 0.662473 C\n0.393491 0.707498 0.497975 C\n0.916369 0.467223 0.262370 C\n0.827350 0.530013 0.940806 C\n0.117716 0.517320 0.766918 C\n0.943829 0.890950 0.122734 S\n0.184025 0.302892 0.226599 O\n",
"nsites": 17,
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"elements": [
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],
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"formula_full": "H6 C9 S1 O1",
"formula_reduced": "H6C9SO",
"formula_anonymous": "ABC6D9",
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},
{
"id": "jvasp-104157",
"created_at": "2022-09-04T14:36:54.528764Z",
"updated_at": "2022-09-04T14:36:54.528790Z",
"structure_string": "H12 C18 S2 O2\n1.0\n5.855132 0.009787 1.920325\n4.419077 6.953526 0.221977\n0.068522 -0.110861 8.489343\nH C S O\n12 18 2 2\ndirect\n0.216220 0.420128 0.992630 H\n0.977003 0.721791 0.700205 H\n0.937899 0.439612 0.317397 H\n0.937899 0.439612 0.817397 H\n0.704531 0.736933 0.530317 H\n0.704531 0.736933 0.030317 H\n0.977004 0.721791 0.200205 H\n0.593044 0.218467 0.722530 H\n0.885126 0.233947 0.148790 H\n0.885126 0.233947 0.648790 H\n0.216219 0.420128 0.492630 H\n0.593044 0.218467 0.222530 H\n0.738625 0.230741 0.761667 C\n0.192006 0.924728 0.749562 C\n0.192006 0.924728 0.249562 C\n0.189168 0.658067 0.618719 C\n0.189168 0.658067 0.118719 C\n0.322961 0.489502 0.501941 C\n0.322962 0.489502 0.001941 C\n0.738625 0.230741 0.261667 C\n0.328060 0.746427 0.632721 C\n0.601369 0.664198 0.023588 C\n0.592934 0.410018 0.391926 C\n0.592935 0.410018 0.891926 C\n0.601369 0.664198 0.523588 C\n0.729239 0.500205 0.404181 C\n0.729239 0.500205 0.904181 C\n0.886911 0.046414 0.330650 C\n0.886912 0.046414 0.830650 C\n0.328060 0.746427 0.132721 C\n0.336822 0.018711 0.311375 S\n0.336822 0.018711 0.811374 S\n0.766393 0.002209 0.451130 O\n0.766391 0.002209 0.951131 O\n",
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}