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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_anonymous&page=4426",
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"results": [
{
"id": "jvasp-42901",
"created_at": "2022-09-04T14:38:17.000243Z",
"updated_at": "2022-09-04T14:38:17.000263Z",
"structure_string": "Li3 Fe5 Co2 O12\n1.0\n4.969008 0.063323 -0.013631\n2.525005 4.280117 0.013631\n-0.858518 1.481257 9.389582\nLi Fe Co O\n3 5 2 12\ndirect\n0.326022 0.841296 0.993571 Li\n0.841294 0.326024 0.506429 Li\n0.921644 0.921646 0.750000 Li\n0.077771 0.077771 0.250000 Fe\n0.008713 0.518865 0.989977 Fe\n0.518863 0.008715 0.510023 Fe\n0.418542 0.418542 0.250000 Fe\n0.575684 0.575686 0.750000 Fe\n0.251016 0.251018 0.750000 Co\n0.751685 0.751685 0.250000 Co\n0.962050 0.234089 0.864739 O\n0.605311 0.854764 0.864287 O\n0.782526 0.045748 0.362668 O\n0.465993 0.714494 0.357994 O\n0.234088 0.962051 0.635261 O\n0.126897 0.362884 0.356823 O\n0.045747 0.782526 0.137332 O\n0.291295 0.533108 0.863897 O\n0.362883 0.126898 0.143177 O\n0.714494 0.465994 0.142006 O\n0.533107 0.291297 0.636103 O\n0.854762 0.605313 0.635713 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"Fe",
"Co",
"O"
],
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"density": 5.115189774306579,
"density_atomic": 0.11111471609375652,
"volume": 197.99357612934736,
"volume_molar": 5.41975084103048,
"formula_full": "Li3 Fe5 Co2 O12",
"formula_reduced": "Li3Fe5(CoO6)2",
"formula_anonymous": "A2B3C5D12",
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"spacegroup": 5
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{
"id": "jvasp-42733",
"created_at": "2022-09-04T14:35:41.873058Z",
"updated_at": "2022-09-04T14:35:41.873085Z",
"structure_string": "Li3 Mn5 Cr2 O12\n1.0\n5.003058 0.100319 -0.101636\n2.495485 4.337421 0.101636\n-0.817917 1.382053 9.703920\nLi Mn Cr O\n3 5 2 12\ndirect\n0.330741 0.827592 0.989494 Li\n0.827593 0.330741 0.510506 Li\n0.924019 0.924020 0.750000 Li\n0.064698 0.064698 0.250000 Mn\n0.415087 0.415087 0.250000 Mn\n0.577946 0.577946 0.750000 Mn\n0.507734 0.010840 0.511307 Mn\n0.010840 0.507733 0.988693 Mn\n0.255257 0.255257 0.750000 Cr\n0.764145 0.764146 0.250000 Cr\n0.709266 0.465349 0.144847 O\n0.612811 0.853326 0.864130 O\n0.465348 0.709266 0.355153 O\n0.779452 0.044821 0.374128 O\n0.232485 0.963982 0.635139 O\n0.131809 0.358991 0.360356 O\n0.298031 0.542850 0.860299 O\n0.358992 0.131810 0.139644 O\n0.044821 0.779452 0.125872 O\n0.963983 0.232486 0.864861 O\n0.542850 0.298031 0.639701 O\n0.853326 0.612812 0.635870 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Cr",
"O"
],
"chemical_system": "Cr-Li-Mn-O",
"density": 4.751219477645286,
"density_atomic": 0.10642048413421225,
"volume": 206.72711817637185,
"volume_molar": 5.658817293487572,
"formula_full": "Li3 Mn5 Cr2 O12",
"formula_reduced": "Li3Mn5Cr2O12",
"formula_anonymous": "A2B3C5D12",
"energy_above_hull": 3.4809655912225703,
"spacegroup": 5
},
{
"id": "jvasp-42528",
"created_at": "2022-09-04T14:37:28.786028Z",
"updated_at": "2022-09-04T14:37:28.786045Z",
"structure_string": "Li3 Mn5 Cu2 O12\n1.0\n5.046040 0.091029 -0.080478\n2.230798 4.527069 0.080478\n-0.558583 0.880171 9.356721\nLi Mn Cu O\n3 5 2 12\ndirect\n0.315241 0.860628 0.987361 Li\n0.860629 0.315240 0.512639 Li\n0.917380 0.917380 0.750000 Li\n0.077194 0.077193 0.250000 Mn\n0.419423 0.419423 0.250000 Mn\n0.579379 0.579378 0.750000 Mn\n0.506977 0.997274 0.507156 Mn\n0.997275 0.506977 0.992844 Mn\n0.260881 0.260881 0.750000 Cu\n0.754692 0.754692 0.250000 Cu\n0.654821 0.809430 0.882378 O\n0.741397 0.425930 0.144063 O\n0.753012 0.081312 0.365433 O\n0.425930 0.741397 0.355937 O\n0.567327 0.275955 0.637606 O\n0.164388 0.309322 0.377603 O\n0.275956 0.567327 0.862394 O\n0.309323 0.164387 0.122397 O\n0.081312 0.753012 0.134566 O\n0.942134 0.259892 0.861569 O\n0.259893 0.942133 0.638430 O\n0.809430 0.654820 0.617621 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Cu",
"O"
],
"chemical_system": "Cu-Li-Mn-O",
"density": 4.834054019121317,
"density_atomic": 0.10420628712602134,
"volume": 211.1196992691469,
"volume_molar": 5.77905702821669,
"formula_full": "Li3 Mn5 Cu2 O12",
"formula_reduced": "Li3Mn5(CuO6)2",
"formula_anonymous": "A2B3C5D12",
"energy_above_hull": 2.890199050313479,
"spacegroup": 5
},
{
"id": "jvasp-97445",
"created_at": "2022-09-04T14:36:05.912309Z",
"updated_at": "2022-09-04T14:36:05.912329Z",
"structure_string": "Ba6 Zn10 In4 O22\n1.0\n8.257721 0.000000 4.767597\n2.752574 7.785454 4.767597\n0.000000 0.000000 9.535194\nBa Zn In O\n6 10 4 22\ndirect\n0.294113 0.294113 0.705887 Ba\n0.294113 0.705886 0.294114 Ba\n0.705887 0.294113 0.294114 Ba\n0.705887 0.705886 0.294114 Ba\n0.294113 0.705886 0.705887 Ba\n0.705887 0.294113 0.705887 Ba\n0.418502 0.081498 0.081498 Zn\n0.751112 0.082962 0.082963 Zn\n0.418502 0.081498 0.418502 Zn\n0.081498 0.418502 0.418502 Zn\n0.081498 0.418502 0.081498 Zn\n0.418502 0.418502 0.081498 Zn\n0.082962 0.082962 0.751112 Zn\n0.082962 0.751112 0.082963 Zn\n0.082962 0.082962 0.082963 Zn\n0.081498 0.081498 0.418502 Zn\n0.834878 0.834878 0.834879 In\n0.834878 0.834878 0.495364 In\n0.834879 0.495364 0.834879 In\n0.495363 0.834878 0.834879 In\n0.671330 0.333633 0.997518 O\n0.667825 0.996523 0.667826 O\n0.667825 0.667825 0.996524 O\n0.342390 0.342390 0.972830 O\n0.997518 0.997517 0.333634 O\n0.333633 0.671330 0.997518 O\n0.000000 0.000000 0.000000 O\n0.500000 0.500000 0.500000 O\n0.997518 0.671330 0.997518 O\n0.997518 0.333633 0.997518 O\n0.342390 0.972830 0.342391 O\n0.972830 0.342390 0.342390 O\n0.997518 0.997517 0.671331 O\n0.667825 0.667825 0.667826 O\n0.671330 0.997517 0.997518 O\n0.333633 0.997517 0.997518 O\n0.333633 0.997517 0.671331 O\n0.342390 0.342390 0.342390 O\n0.997518 0.671330 0.333634 O\n0.671330 0.997517 0.333634 O\n0.997518 0.333633 0.671331 O\n0.996523 0.667825 0.667826 O\n",
"nsites": 42,
"nelements": 4,
"elements": [
"Ba",
"Zn",
"In",
"O"
],
"chemical_system": "Ba-In-O-Zn",
"density": 6.2012633154156,
"density_atomic": 0.06851341393675466,
"volume": 613.0186424335908,
"volume_molar": 8.789725126759983,
"formula_full": "Ba6 Zn10 In4 O22",
"formula_reduced": "Ba3Zn5In2O11",
"formula_anonymous": "A2B3C5D11",
"energy_above_hull": 0.9238623023809522,
"spacegroup": 216
},
{
"id": "jvasp-96878",
"created_at": "2022-09-04T14:36:08.300321Z",
"updated_at": "2022-09-04T14:36:08.300342Z",
"structure_string": "Na10 P6 H4 O22\n1.0\n10.698082 0.064896 -1.643838\n-0.683893 6.864147 -5.250240\n0.040453 -0.137504 6.860797\nNa P H O\n10 6 4 22\ndirect\n0.244953 0.000879 0.085108 Na\n0.755047 0.999123 0.914894 Na\n0.250493 0.583967 0.539854 Na\n0.749506 0.416035 0.460147 Na\n0.246700 0.562385 0.013936 Na\n0.753299 0.437616 0.986066 Na\n0.495715 0.779242 0.451731 Na\n0.504285 0.220759 0.548271 Na\n0.006525 0.815546 0.521070 Na\n-0.006525 0.184455 0.478932 Na\n0.027399 0.317424 0.116520 P\n0.466369 0.311426 0.110901 P\n0.972601 0.682577 0.883481 P\n0.280563 0.048348 0.623468 P\n0.719437 0.951654 0.376533 P\n0.533631 0.688575 0.889101 P\n0.500000 0.000000 0.000000 H\n0.000000 0.500000 0.000000 H\n0.975203 0.975413 0.943188 H\n0.024797 0.024589 0.056814 H\n0.807051 0.792256 0.320159 O\n0.192949 0.207746 0.679843 O\n0.871130 0.714175 0.735115 O\n0.128870 0.285827 0.264886 O\n0.065658 0.518415 0.174776 O\n0.894830 0.318619 0.175958 O\n0.934342 0.481587 0.825225 O\n0.600675 0.387069 0.156447 O\n0.105170 0.681382 0.824044 O\n0.399325 0.612933 0.843555 O\n0.581669 0.825034 0.193831 O\n0.543308 0.844151 0.841888 O\n0.378993 0.472988 0.243509 O\n0.621007 0.527013 0.756493 O\n0.758163 0.082602 0.315081 O\n0.241837 0.917400 0.684920 O\n0.680418 0.065309 0.635780 O\n0.319582 0.934693 0.364221 O\n0.418331 0.174968 0.806170 O\n0.994323 0.841744 0.178550 O\n0.456692 0.155851 0.158114 O\n0.005677 0.158257 0.821452 O\n",
"nsites": 42,
"nelements": 4,
"elements": [
"Na",
"P",
"H",
"O"
],
"chemical_system": "H-Na-O-P",
"density": 2.5802056979257775,
"density_atomic": 0.08456154684159271,
"volume": 496.67965604600016,
"volume_molar": 7.121606669850948,
"formula_full": "Na10 P6 H4 O22",
"formula_reduced": "Na5P3H2O11",
"formula_anonymous": "A2B3C5D11",
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"spacegroup": 2
},
{
"id": "jvasp-42981",
"created_at": "2022-09-04T14:36:06.985644Z",
"updated_at": "2022-09-04T14:36:06.985672Z",
"structure_string": "Li5 Nb2 V3 O10\n1.0\n5.204124 0.052400 0.024980\n0.922365 5.063423 0.028174\n2.465735 2.139648 7.080207\nLi Nb V O\n5 2 3 10\ndirect\n0.517386 0.771480 0.411895 Li\n0.509762 0.593651 0.783163 Li\n0.000001 0.500000 0.500000 Li\n0.490239 0.406349 0.216837 Li\n0.482615 0.228520 0.588104 Li\n-0.001263 0.902019 0.684468 Nb\n0.001265 0.097981 0.315532 Nb\n0.004368 0.682169 0.099793 V\n0.500000 -0.000000 0.000000 V\n0.995633 0.317831 0.900207 V\n0.260317 0.352806 0.043808 O\n0.232888 0.960107 0.858363 O\n0.739684 0.647193 0.956191 O\n0.736986 0.842695 0.553039 O\n0.241720 0.752089 0.244894 O\n0.241577 0.555716 0.652948 O\n0.758424 0.444284 0.347052 O\n0.758282 0.247911 0.755105 O\n0.263015 0.157304 0.446961 O\n0.767113 0.039893 0.141637 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Nb",
"V",
"O"
],
"chemical_system": "Li-Nb-O-V",
"density": 4.770317104221912,
"density_atomic": 0.10772761289992756,
"volume": 185.65342219713705,
"volume_molar": 5.590155205234338,
"formula_full": "Li5 Nb2 V3 O10",
"formula_reduced": "Li5Nb2V3O10",
"formula_anonymous": "A2B3C5D10",
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"spacegroup": 2
},
{
"id": "jvasp-48408",
"created_at": "2022-09-04T14:35:59.383045Z",
"updated_at": "2022-09-04T14:35:59.383069Z",
"structure_string": "Li5 Ti2 V3 O10\n1.0\n5.096644 -0.002556 -0.003528\n0.837148 4.954178 0.017052\n2.421296 2.056504 7.013964\nLi Ti V O\n5 2 3 10\ndirect\n0.497623 0.777955 0.414186 Li\n0.522506 0.597237 0.778239 Li\n0.996894 0.503586 0.501102 Li\n0.497138 0.220694 0.591165 Li\n0.473423 0.401137 0.228418 Li\n0.005002 0.895601 0.699912 Ti\n0.989866 0.109939 0.302946 Ti\n0.484408 -0.002668 0.006817 V\n0.998019 0.682054 0.095763 V\n0.996494 0.322336 0.910037 V\n0.223665 0.137990 0.456543 O\n0.237182 0.964119 0.853691 O\n0.768416 0.866042 0.548594 O\n0.732544 0.659936 0.945938 O\n0.231192 0.755705 0.248912 O\n0.237334 0.558786 0.664228 O\n0.752723 0.444141 0.343027 O\n0.758855 0.234944 0.767087 O\n0.261285 0.346322 0.056787 O\n0.754709 0.043433 0.147557 O\n",
"nsites": 20,
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"elements": [
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],
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"density": 4.159093817297592,
"density_atomic": 0.11301172979799508,
"volume": 176.9727800445969,
"volume_molar": 5.328774960585408,
"formula_full": "Li5 Ti2 V3 O10",
"formula_reduced": "Li5Ti2V3O10",
"formula_anonymous": "A2B3C5D10",
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"spacegroup": 1
},
{
"id": "jvasp-48576",
"created_at": "2022-09-04T14:35:44.313533Z",
"updated_at": "2022-09-04T14:35:44.313568Z",
"structure_string": "Li5 Ti2 Co3 O10\n1.0\n5.066612 -0.041456 -0.008574\n0.791566 4.971296 -0.022060\n2.441285 2.015106 6.868774\nLi Ti Co O\n5 2 3 10\ndirect\n0.226877 0.501377 0.591883 Li\n0.423982 0.488657 0.201527 Li\n0.501318 0.005006 0.495578 Li\n0.782663 0.510977 0.403468 Li\n0.581468 0.509051 0.796036 Li\n0.112735 0.996432 0.296065 Ti\n0.882002 0.013451 0.700272 Ti\n0.309527 0.998789 0.887981 Co\n0.696006 0.002710 0.100802 Co\n0.000574 0.499997 0.999426 Co\n0.861371 0.778848 0.542291 O\n0.024035 0.760484 0.145866 O\n0.140262 0.226893 0.455421 O\n0.355712 0.241429 0.056763 O\n0.222330 0.744240 0.761746 O\n0.441008 0.769696 0.333543 O\n0.570250 0.247477 0.647845 O\n0.773290 0.243917 0.231832 O\n0.659536 0.760979 0.951517 O\n0.943253 0.240778 0.865262 O\n",
"nsites": 20,
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"elements": [
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"O"
],
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"density": 4.470480320539555,
"density_atomic": 0.11523965848573144,
"volume": 173.5513647194323,
"volume_molar": 5.225753737152598,
"formula_full": "Li5 Ti2 Co3 O10",
"formula_reduced": "Li5Ti2Co3O10",
"formula_anonymous": "A2B3C5D10",
"energy_above_hull": 2.742460218333333,
"spacegroup": 1
},
{
"id": "jvasp-44628",
"created_at": "2022-09-04T14:37:28.697959Z",
"updated_at": "2022-09-04T14:37:28.697986Z",
"structure_string": "Li5 Nb2 Fe3 O10\n1.0\n5.224726 0.026389 0.013028\n0.897134 5.142089 0.015049\n2.471679 2.181556 7.093406\nLi Nb Fe O\n5 2 3 10\ndirect\n0.502674 0.772428 0.405564 Li\n0.525131 0.575418 0.788076 Li\n-0.000001 0.500000 0.500000 Li\n0.474869 0.424583 0.211925 Li\n0.497325 0.227573 0.594437 Li\n0.010002 0.888804 0.711710 Nb\n0.989997 0.111197 0.288291 Nb\n0.997265 0.300490 0.918803 Fe\n0.002734 0.699511 0.081198 Fe\n0.500000 0.000000 0.000000 Fe\n0.263997 0.354177 0.057376 O\n0.259422 0.965990 0.842359 O\n0.736003 0.645824 0.942625 O\n0.776778 0.860319 0.545201 O\n0.236811 0.765827 0.248906 O\n0.245914 0.565789 0.657403 O\n0.754086 0.434212 0.342598 O\n0.763189 0.234174 0.751095 O\n0.223221 0.139682 0.454800 O\n0.740578 0.034011 0.157642 O\n",
"nsites": 20,
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"elements": [
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],
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"density": 4.787411477343779,
"density_atomic": 0.10521170055842306,
"volume": 190.0929259183886,
"volume_molar": 5.723831786803942,
"formula_full": "Li5 Nb2 Fe3 O10",
"formula_reduced": "Li5Nb2Fe3O10",
"formula_anonymous": "A2B3C5D10",
"energy_above_hull": 2.985218515,
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},
{
"id": "jvasp-50096",
"created_at": "2022-09-04T14:37:17.819009Z",
"updated_at": "2022-09-04T14:37:17.819023Z",
"structure_string": "Li5 Nb2 Cu3 O10\n1.0\n5.237498 -0.000544 -0.004180\n-1.595854 5.516010 0.020624\n-2.073566 -2.076833 7.097159\nLi Nb Cu O\n5 2 3 10\ndirect\n0.228177 0.860143 0.370077 Li\n0.406575 0.339948 0.808343 Li\n0.500000 0.500001 0.500000 Li\n0.593425 0.660053 0.191656 Li\n0.771824 0.139858 0.629922 Li\n0.109015 0.728611 0.699901 Nb\n0.890986 0.271390 0.300099 Nb\n0.701240 0.876982 0.901163 Cu\n0.298761 0.123020 0.098837 Cu\n0.000000 0.500000 -0.000000 Cu\n0.664438 0.350103 0.067079 O\n0.072843 0.038524 0.824064 O\n0.335563 0.649898 0.932921 O\n0.139999 0.344954 0.555682 O\n0.221518 0.520639 0.249692 O\n0.456600 0.871838 0.648866 O\n0.543401 0.128164 0.351134 O\n0.778483 0.479362 0.750307 O\n0.860001 0.655047 0.444318 O\n0.927157 0.961477 0.175935 O\n",
"nsites": 20,
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"elements": [
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],
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"density": 4.62204548847704,
"density_atomic": 0.09746868681289735,
"volume": 205.1941054504239,
"volume_molar": 6.17853893072368,
"formula_full": "Li5 Nb2 Cu3 O10",
"formula_reduced": "Li5Nb2Cu3O10",
"formula_anonymous": "A2B3C5D10",
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"spacegroup": 2
},
{
"id": "jvasp-113202",
"created_at": "2022-09-04T14:38:47.080233Z",
"updated_at": "2022-09-04T14:38:47.080262Z",
"structure_string": "Li5 Mn3 Co2 O10\n1.0\n4.775316 -0.007849 -1.612882\n-1.255368 4.734347 -1.244509\n-0.036629 0.072067 7.593426\nLi Mn Co O\n5 3 2 10\ndirect\n0.092555 0.799261 0.583538 Li\n0.715362 0.616927 0.223986 Li\n0.500000 0.500001 0.500001 Li\n0.284639 0.383074 0.776015 Li\n0.907446 0.200740 0.416463 Li\n0.500000 -0.000000 0.000000 Mn\n0.108150 0.311877 0.110349 Mn\n0.891850 0.688124 0.889652 Mn\n0.697711 0.100010 0.696520 Co\n0.302289 0.899991 0.303481 Co\n0.710662 0.329995 0.953983 O\n0.908904 0.931709 0.143265 O\n0.289338 0.670006 0.046018 O\n0.680052 0.870425 0.454521 O\n0.524455 0.768680 0.761947 O\n0.113519 0.557751 0.337903 O\n0.886481 0.442250 0.662098 O\n0.475545 0.231321 0.238054 O\n0.319948 0.129576 0.545480 O\n0.091096 0.068292 0.856736 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.6116719964959,
"density_atomic": 0.11635244687733932,
"volume": 171.89152902890243,
"volume_molar": 5.175774916318383,
"formula_full": "Li5 Mn3 Co2 O10",
"formula_reduced": "Li5Mn3(CoO5)2",
"formula_anonymous": "A2B3C5D10",
"energy_above_hull": 2.8699144262068965,
"spacegroup": 2
},
{
"id": "jvasp-45174",
"created_at": "2022-09-04T14:38:03.269041Z",
"updated_at": "2022-09-04T14:38:03.269067Z",
"structure_string": "Li5 Fe2 Cu3 O10\n1.0\n5.003388 0.109841 0.075073\n-1.364860 5.034597 -0.118012\n-1.763592 -2.302646 6.959572\nLi Fe Cu O\n5 2 3 10\ndirect\n0.206423 0.909805 0.399862 Li\n0.401094 0.282149 0.789297 Li\n0.500000 0.500000 0.500000 Li\n0.598907 0.717850 0.210703 Li\n0.793578 0.090194 0.600137 Li\n0.100068 0.677814 0.688786 Fe\n0.899933 0.322185 0.311213 Fe\n0.697333 0.884970 0.897474 Cu\n0.302667 0.115029 0.102525 Cu\n0.000000 0.500000 0.000000 Cu\n0.661747 0.339376 0.077117 O\n0.060802 0.017333 0.831057 O\n0.338253 0.660623 0.922882 O\n0.133704 0.325368 0.542811 O\n0.209948 0.528164 0.252304 O\n0.439028 0.874598 0.658977 O\n0.560972 0.125402 0.341022 O\n0.790052 0.471836 0.747696 O\n0.866297 0.674632 0.457188 O\n0.939198 0.982667 0.168942 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Fe",
"Cu",
"O"
],
"chemical_system": "Cu-Fe-Li-O",
"density": 4.691495794984174,
"density_atomic": 0.11368737739441268,
"volume": 175.92102534492037,
"volume_molar": 5.29710588635319,
"formula_full": "Li5 Fe2 Cu3 O10",
"formula_reduced": "Li5Fe2Cu3O10",
"formula_anonymous": "A2B3C5D10",
"energy_above_hull": 2.0211498675,
"spacegroup": 2
}
]
}