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{
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"results": [
{
"id": "jvasp-25550",
"created_at": "2022-09-04T14:38:06.090268Z",
"updated_at": "2022-09-04T14:38:06.090277Z",
"structure_string": "P4 H4 F16\n1.0\n0.000000 4.485581 0.000431\n7.886021 0.000000 0.000000\n0.000000 -4.404071 -8.279695\nP H F\n4 4 16\ndirect\n0.682113 0.285109 0.674880 P\n0.317886 0.785109 0.825119 P\n0.317887 0.714891 0.325119 P\n0.682113 0.214891 0.174880 P\n0.838503 0.390249 0.610704 H\n0.161496 0.890249 0.889296 H\n0.161497 0.609751 0.389296 H\n0.838503 0.109751 0.110704 H\n0.564720 0.859727 0.425350 F\n0.435279 0.359727 0.074650 F\n0.735012 0.300562 0.851862 F\n0.264987 0.800562 0.648137 F\n0.264987 0.699438 0.148138 F\n0.735013 0.199438 0.351862 F\n0.365099 0.419033 0.614039 F\n0.003166 0.154034 0.737469 F\n0.634901 0.580967 0.385961 F\n0.365099 0.080967 0.114039 F\n0.564720 0.640273 0.925349 F\n-0.003167 0.654034 0.762531 F\n-0.003166 0.845966 0.262531 F\n0.003166 0.345966 0.237469 F\n0.634901 0.919033 0.885960 F\n0.435279 0.140273 0.574650 F\n",
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{
"id": "jvasp-55689",
"created_at": "2022-09-04T14:38:06.231927Z",
"updated_at": "2022-09-04T14:38:06.231938Z",
"structure_string": "Na6 Al2 H12\n1.0\n0.000000 5.339660 0.000135\n5.527076 0.000000 0.000000\n0.000000 -5.336457 -7.689258\nNa Al H\n6 2 12\ndirect\n0.500000 0.000000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.242926 0.953134 0.752931 Na\n0.757074 0.453134 0.747070 Na\n0.757075 0.046867 0.247070 Na\n0.242926 0.546867 0.252931 Na\n0.000000 0.000000 0.000000 Al\n-0.000000 0.500000 0.500000 Al\n0.681862 0.452691 0.282980 H\n0.318138 0.952691 0.217020 H\n0.772309 0.669392 0.544851 H\n0.227691 0.169391 0.955150 H\n0.227691 0.330609 0.455149 H\n0.902537 0.268710 0.062998 H\n0.097464 0.731291 0.937003 H\n0.902536 0.231290 0.562998 H\n0.681862 0.047309 0.782981 H\n0.097464 0.768710 0.437003 H\n0.772309 0.830610 0.044851 H\n0.318138 0.547310 0.717020 H\n",
"nsites": 20,
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"elements": [
"Na",
"Al",
"H"
],
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"density": 1.4927496114862306,
"density_atomic": 0.0881341341099217,
"volume": 226.92683376290753,
"volume_molar": 6.832926675706748,
"formula_full": "Na6 Al2 H12",
"formula_reduced": "Na3AlH6",
"formula_anonymous": "AB3C6",
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"spacegroup": 14
},
{
"id": "jvasp-45255",
"created_at": "2022-09-04T14:38:06.255099Z",
"updated_at": "2022-09-04T14:38:06.255124Z",
"structure_string": "Na4 Sn2 Te2 O12\n1.0\n0.000000 5.459253 0.001028\n5.544474 0.000000 0.000000\n0.000000 -5.459594 -7.785571\nNa Sn Te O\n4 2 2 12\ndirect\n0.240649 0.956288 0.250408 Na\n0.759351 0.456289 0.249592 Na\n0.240649 0.543711 0.750408 Na\n0.759351 0.043711 0.749592 Na\n0.500000 0.500000 0.500000 Sn\n0.500000 0.000000 -0.000000 Sn\n0.000000 0.500000 0.000000 Te\n0.000000 0.000000 0.500000 Te\n0.663225 0.029550 0.258786 O\n0.336775 0.529549 0.241213 O\n0.138952 0.789359 0.949387 O\n0.861049 0.289359 0.550613 O\n0.861048 0.210641 0.050613 O\n0.756751 0.694344 0.048126 O\n0.243249 0.305655 0.951873 O\n0.756751 0.805655 0.548126 O\n0.663225 0.470450 0.758786 O\n0.243249 0.194344 0.451874 O\n0.138951 0.710640 0.449387 O\n0.336775 0.970450 0.741213 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Na",
"Sn",
"Te",
"O"
],
"chemical_system": "Na-O-Sn-Te",
"density": 5.47273053944607,
"density_atomic": 0.08487959616490624,
"volume": 235.62788825177125,
"volume_molar": 7.094921550168585,
"formula_full": "Na4 Sn2 Te2 O12",
"formula_reduced": "Na2SnTeO6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 14
},
{
"id": "jvasp-24263",
"created_at": "2022-09-04T14:38:06.440542Z",
"updated_at": "2022-09-04T14:38:06.440572Z",
"structure_string": "Cd8 Se8 O24\n1.0\n0.000000 5.813967 -0.010624\n12.918994 0.000000 0.000000\n0.000000 -1.675696 -8.460574\nCd Se O\n8 8 24\ndirect\n0.618002 0.758000 0.139430 Cd\n0.177841 0.576290 0.883020 Cd\n0.381998 0.258000 0.360570 Cd\n0.822159 0.076290 0.616979 Cd\n0.381997 0.242000 0.860569 Cd\n0.177841 0.923710 0.383020 Cd\n0.618002 0.742000 0.639429 Cd\n0.822159 0.423710 0.116979 Cd\n0.023320 0.666606 0.466722 Se\n0.582158 0.029206 0.230547 Se\n0.976680 0.166607 0.033277 Se\n0.582157 0.470793 0.730547 Se\n0.417842 0.529206 0.269452 Se\n0.976679 0.333393 0.533277 Se\n0.417842 0.970793 0.769452 Se\n0.023320 0.833393 0.966722 Se\n0.240541 0.761124 0.495460 O\n0.959058 0.641626 0.650522 O\n0.040941 0.141626 0.849477 O\n0.759459 0.261124 0.004540 O\n0.225469 0.241433 0.093709 O\n0.399706 0.419649 0.848915 O\n0.457004 0.907216 0.218727 O\n0.542996 0.092784 0.781272 O\n0.457004 0.592784 0.718726 O\n0.600293 0.919649 0.651084 O\n0.240541 0.738875 -0.004540 O\n0.959058 0.858373 0.150523 O\n0.774531 0.758567 0.906290 O\n0.840079 0.478099 0.866733 O\n0.600294 0.580350 0.151084 O\n0.840079 0.021901 0.366733 O\n0.542996 0.407216 0.281273 O\n0.159921 0.521901 0.133267 O\n0.225468 0.258567 0.593709 O\n0.159921 0.978099 0.633266 O\n0.759459 0.238876 0.504539 O\n0.040942 0.358374 0.349477 O\n0.774531 0.741433 0.406290 O\n0.399706 0.080350 0.348916 O\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Cd",
"Se",
"O"
],
"chemical_system": "Cd-O-Se",
"density": 5.002062509466479,
"density_atomic": 0.06292188914182752,
"volume": 635.7088216127618,
"volume_molar": 9.570820015314453,
"formula_full": "Cd8 Se8 O24",
"formula_reduced": "CdSeO3",
"formula_anonymous": "ABC3",
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"spacegroup": 14
},
{
"id": "jvasp-45914",
"created_at": "2022-09-04T14:38:06.386100Z",
"updated_at": "2022-09-04T14:38:06.386124Z",
"structure_string": "V4 P4 O14\n1.0\n0.000000 4.467606 0.005712\n10.263893 0.000000 0.000000\n0.000000 -0.614904 -5.330168\nV P O\n4 4 14\ndirect\n0.597757 0.156364 0.920990 V\n0.402246 0.656364 0.579011 V\n0.597756 0.343636 0.420990 V\n0.402245 0.843636 0.079010 V\n0.143612 0.388772 0.849963 P\n0.856390 0.888772 0.650038 P\n0.143612 0.111228 0.349962 P\n0.856390 0.611228 0.150038 P\n0.884812 0.202680 0.252538 O\n0.115189 0.702680 0.247463 O\n0.712823 0.545655 0.364938 O\n0.000000 0.000000 0.500000 O\n0.618367 0.825051 0.459124 O\n0.381635 0.174949 0.540877 O\n0.712823 0.954345 0.864938 O\n0.884813 0.297320 0.752538 O\n0.115190 0.797320 0.747463 O\n0.287179 0.045655 0.135063 O\n0.000000 0.500000 0.000000 O\n0.618368 0.674949 0.959124 O\n0.287179 0.454345 0.635063 O\n0.381634 0.325051 0.040877 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"V",
"P",
"O"
],
"chemical_system": "O-P-V",
"density": 3.748443653415555,
"density_atomic": 0.09002411550667626,
"volume": 244.37896308315814,
"volume_molar": 6.689475065771009,
"formula_full": "V4 P4 O14",
"formula_reduced": "V2P2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 3.273536718181818,
"spacegroup": 14
},
{
"id": "jvasp-30424",
"created_at": "2022-09-04T14:38:06.392427Z",
"updated_at": "2022-09-04T14:38:06.392457Z",
"structure_string": "Cr4 Ag4 O16\n1.0\n5.117941 0.000000 -0.789597\n0.000000 9.055679 0.000000\n-1.231535 0.000000 7.568779\nCr Ag O\n4 4 16\ndirect\n0.154878 0.514048 0.270072 Cr\n0.345122 0.014048 0.229928 Cr\n0.654877 0.985952 0.770072 Cr\n0.845121 0.485952 0.729928 Cr\n0.420790 0.693203 0.955758 Ag\n0.079209 0.193203 0.544242 Ag\n0.920790 0.806797 0.455758 Ag\n0.579209 0.306797 0.044241 Ag\n0.093811 0.061551 0.015464 O\n0.808127 0.995196 0.609308 O\n0.691872 0.495196 0.890692 O\n0.406189 0.561552 0.484536 O\n0.485513 0.855187 0.205008 O\n0.558387 0.152223 0.257600 O\n0.441612 0.847778 0.742399 O\n0.191872 0.004804 0.390692 O\n0.593810 0.438448 0.515464 O\n0.308127 0.504804 0.109308 O\n0.014486 0.355187 0.294992 O\n0.906188 0.938449 0.984536 O\n0.985512 0.644813 0.705008 O\n0.941612 0.652223 0.242399 O\n0.514486 0.144813 0.794992 O\n0.058386 0.347777 0.757600 O\n",
"nsites": 24,
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"elements": [
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"O"
],
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"density": 4.347990269375102,
"density_atomic": 0.07017954221152205,
"volume": 341.9800022015488,
"volume_molar": 8.581048793178487,
"formula_full": "Cr4 Ag4 O16",
"formula_reduced": "CrAgO4",
"formula_anonymous": "ABC4",
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"spacegroup": 14
},
{
"id": "jvasp-55661",
"created_at": "2022-09-04T14:38:06.618000Z",
"updated_at": "2022-09-04T14:38:06.618010Z",
"structure_string": "Al4 Cu2 Cl16\n1.0\n0.000000 6.361378 -0.127935\n7.344998 0.000000 0.000000\n0.000000 -0.967152 -12.074172\nAl Cu Cl\n4 2 16\ndirect\n0.810639 0.736044 0.812492 Al\n0.810639 0.763956 0.312492 Al\n0.189362 0.263956 0.187509 Al\n0.189362 0.236044 0.687509 Al\n0.000000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.646569 -0.004976 0.362645 Cl\n0.353431 0.495024 0.137355 Cl\n0.353431 0.004976 0.637355 Cl\n0.646569 0.504976 0.862645 Cl\n0.169361 0.229446 0.361219 Cl\n0.830640 0.729446 0.138782 Cl\n0.830640 0.770554 0.638782 Cl\n0.309633 0.010294 0.113613 Cl\n0.690367 0.510294 0.386387 Cl\n0.129260 0.761068 0.896699 Cl\n0.309633 0.489706 0.613613 Cl\n0.690367 0.989706 0.886387 Cl\n0.870741 0.238932 0.103301 Cl\n0.129260 0.738932 0.396699 Cl\n0.169361 0.270554 0.861218 Cl\n0.870741 0.261068 0.603301 Cl\n",
"nsites": 22,
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"elements": [
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],
"chemical_system": "Al-Cl-Cu",
"density": 2.357589954175605,
"density_atomic": 0.03893349441202668,
"volume": 565.0661553051896,
"volume_molar": 15.467763299817602,
"formula_full": "Al4 Cu2 Cl16",
"formula_reduced": "Al2CuCl8",
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"spacegroup": 14
},
{
"id": "jvasp-4237",
"created_at": "2022-09-04T14:38:06.632272Z",
"updated_at": "2022-09-04T14:38:06.632294Z",
"structure_string": "Ga4 Br12\n1.0\n0.000000 8.863864 -0.060489\n5.539479 0.000000 0.000000\n0.000000 -3.390950 -10.390360\nGa Br\n4 12\ndirect\n0.703047 0.001563 0.050098 Ga\n0.296952 0.501563 0.449902 Ga\n0.296952 0.998438 0.949902 Ga\n0.703047 0.498438 0.550098 Ga\n0.832298 0.746557 0.213065 Br\n0.167701 0.246557 0.286935 Br\n0.167701 0.253443 0.786935 Br\n0.832298 0.753444 0.713065 Br\n0.831551 0.257475 0.950653 Br\n0.168449 0.757475 0.549347 Br\n0.168449 0.742525 0.049347 Br\n0.831551 0.242525 0.450653 Br\n0.500724 0.771112 0.882212 Br\n0.499275 0.271112 0.617788 Br\n0.499275 0.228888 0.117788 Br\n0.500724 0.728888 0.382212 Br\n",
"nsites": 16,
"nelements": 2,
"elements": [
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],
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"density": 4.019664189836261,
"density_atomic": 0.031291849425553984,
"volume": 511.3152560082901,
"volume_molar": 19.24507777760849,
"formula_full": "Ga4 Br12",
"formula_reduced": "GaBr3",
"formula_anonymous": "AB3",
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"spacegroup": 14
},
{
"id": "jvasp-4249",
"created_at": "2022-09-04T14:38:06.877999Z",
"updated_at": "2022-09-04T14:38:06.878029Z",
"structure_string": "Ga4 I12\n1.0\n0.000000 9.606395 -0.072405\n6.000259 0.000000 0.000000\n0.000000 -3.659689 -11.223707\nGa I\n4 12\ndirect\n0.699372 0.001336 0.049244 Ga\n0.300629 0.501336 0.450756 Ga\n0.300629 0.998664 0.950757 Ga\n0.699372 0.498664 0.549244 Ga\n0.834008 0.743911 0.215026 I\n0.165992 0.243911 0.284975 I\n0.165992 0.256090 0.784975 I\n0.834009 0.756090 0.715026 I\n0.832910 0.258828 0.948968 I\n0.167091 0.758828 0.551033 I\n0.167091 0.741172 0.051033 I\n0.832910 0.241172 0.448968 I\n0.500644 0.765717 0.879060 I\n0.499357 0.265717 0.620941 I\n0.499357 0.234283 0.120941 I\n0.500644 0.734283 0.379060 I\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Ga",
"I"
],
"chemical_system": "Ga-I",
"density": 4.61327979029229,
"density_atomic": 0.024671025392467055,
"volume": 648.5340493745903,
"volume_molar": 24.409770831166078,
"formula_full": "Ga4 I12",
"formula_reduced": "GaI3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0017525,
"spacegroup": 14
},
{
"id": "jvasp-29489",
"created_at": "2022-09-04T14:38:06.714849Z",
"updated_at": "2022-09-04T14:38:06.714877Z",
"structure_string": "Al8 H24 O24\n1.0\n5.075468 0.000000 -0.027961\n0.000000 8.726173 0.000000\n-0.009479 0.000000 9.323782\nAl H O\n8 24 24\ndirect\n0.463619 0.832864 0.503582 Al\n0.029212 0.334991 0.496389 Al\n0.963619 0.667136 0.003583 Al\n0.529212 0.165009 0.996389 Al\n0.036381 0.332864 0.996417 Al\n0.970788 0.665009 0.503611 Al\n0.470788 0.834990 0.003611 Al\n0.536381 0.167136 0.496418 Al\n0.825726 0.204360 0.710052 H\n0.355928 0.598092 0.153338 H\n0.046042 0.505530 0.289396 H\n0.546042 0.994469 0.789396 H\n0.455752 0.419053 0.615151 H\n0.544248 0.580947 0.384849 H\n0.325726 0.295640 0.210052 H\n0.644072 0.401908 0.846662 H\n0.674274 0.704360 0.789948 H\n0.453958 0.005531 0.210604 H\n0.812669 0.958464 0.371010 H\n0.735735 0.765943 0.215647 H\n0.955753 0.080947 0.115151 H\n0.855928 0.901908 0.653338 H\n0.235734 0.734056 0.715647 H\n0.687331 0.458465 0.128990 H\n0.144072 0.098092 0.346662 H\n0.264265 0.234056 0.784353 H\n0.044247 0.919052 0.884848 H\n0.312669 0.541535 0.871010 H\n0.174274 0.795640 0.289948 H\n0.764266 0.265944 0.284353 H\n0.187331 0.041535 0.628990 H\n0.953958 0.494469 0.710604 H\n0.142026 0.827290 0.390556 O\n0.354098 0.323773 0.603988 O\n0.371881 0.012381 0.611861 O\n0.857974 0.172709 0.609444 O\n0.642026 0.672709 0.890556 O\n0.275150 0.696033 0.618223 O\n0.775371 0.807575 0.618094 O\n0.724850 0.303967 0.381777 O\n0.724629 0.307575 0.881906 O\n0.645903 0.676226 0.396012 O\n0.128119 0.512381 0.888139 O\n0.127459 0.510351 0.386220 O\n0.871881 0.487618 0.111861 O\n0.224850 0.196033 0.881777 O\n0.224629 0.192425 0.381906 O\n0.775150 0.803966 0.118223 O\n0.275371 0.692425 0.118094 O\n0.627459 0.989648 0.886220 O\n0.372541 0.010352 0.113779 O\n0.628119 0.987618 0.388139 O\n0.145902 0.823773 0.896012 O\n0.872541 0.489648 0.613779 O\n0.854098 0.176226 0.103988 O\n0.357974 0.327291 0.109444 O\n",
"nsites": 56,
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"elements": [
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"H",
"O"
],
"chemical_system": "Al-H-O",
"density": 2.509365422944332,
"density_atomic": 0.1356120983476387,
"volume": 412.9425079497347,
"volume_molar": 4.44071055117986,
"formula_full": "Al8 H24 O24",
"formula_reduced": "Al(HO)3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 2.4483790428571437,
"spacegroup": 14
},
{
"id": "jvasp-20970",
"created_at": "2022-09-04T14:38:07.080655Z",
"updated_at": "2022-09-04T14:38:07.080679Z",
"structure_string": "Na20 Ge4 P12\n1.0\n0.000000 8.090625 0.015606\n7.356323 0.000000 0.000000\n0.000000 -8.064783 -13.151678\nNa Ge P\n20 4 12\ndirect\n0.167670 0.851588 0.242062 Na\n0.159112 0.336855 0.580950 Na\n0.245217 0.966153 0.915111 Na\n0.832331 0.148412 0.757938 Na\n0.832331 0.351588 0.257938 Na\n0.754785 0.466153 0.584889 Na\n0.754784 0.033847 0.084889 Na\n0.245216 0.533847 0.415111 Na\n0.915317 0.518101 0.087586 Na\n0.084684 0.018101 0.412414 Na\n0.167670 0.648411 0.742062 Na\n0.915317 0.981898 0.587586 Na\n0.563668 0.995507 0.241524 Na\n0.436332 0.495507 0.258476 Na\n0.436333 0.004493 0.758476 Na\n0.563668 0.504492 0.741524 Na\n0.840889 0.836855 0.919049 Na\n0.084684 0.481899 0.912414 Na\n0.840888 0.663145 0.419049 Na\n0.159112 0.163145 0.080950 Na\n0.484274 0.356571 0.912614 Ge\n0.515727 0.856571 0.587386 Ge\n0.515727 0.643428 0.087386 Ge\n0.484274 0.143428 0.412614 Ge\n0.764147 0.263226 0.418451 P\n0.235853 0.763225 0.081549 P\n0.816790 0.762102 0.729149 P\n0.183211 0.262103 0.770851 P\n0.183211 0.237897 0.270851 P\n0.477721 0.189761 0.566765 P\n0.522280 0.689761 0.933235 P\n0.522279 0.810239 0.433235 P\n0.477721 0.310239 0.066765 P\n0.816790 0.737897 0.229149 P\n0.764147 0.236774 0.918451 P\n0.235854 0.736774 0.581549 P\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Na",
"Ge",
"P"
],
"chemical_system": "Ge-Na-P",
"density": 2.383129330362799,
"density_atomic": 0.04604605952380212,
"volume": 781.825858114762,
"volume_molar": 13.078514909374682,
"formula_full": "Na20 Ge4 P12",
"formula_reduced": "Na5GeP3",
"formula_anonymous": "AB3C5",
"energy_above_hull": 0.7652597166666667,
"spacegroup": 14
},
{
"id": "jvasp-52533",
"created_at": "2022-09-04T14:38:07.371115Z",
"updated_at": "2022-09-04T14:38:07.371140Z",
"structure_string": "Ba6 Br4 O4\n1.0\n0.000000 7.471254 -0.028817\n8.215894 0.000000 0.000000\n0.000000 -3.224382 -7.065624\nBa Br O\n6 4 4\ndirect\n0.000000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Ba\n0.405759 0.879085 0.769095 Ba\n0.594241 0.379085 0.730905 Ba\n0.405759 0.620915 0.269095 Ba\n0.594241 0.120915 0.230905 Ba\n0.185127 0.346404 0.926190 Br\n0.185127 0.153596 0.426190 Br\n0.814872 0.846404 0.573810 Br\n0.814872 0.653596 0.073810 Br\n0.341341 0.612496 0.567277 O\n0.658659 0.112497 0.932723 O\n0.341341 0.887503 0.067277 O\n0.658659 0.387503 0.432723 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ba",
"Br",
"O"
],
"chemical_system": "Ba-Br-O",
"density": 4.615309406742133,
"density_atomic": 0.032222959847103196,
"volume": 434.47281275306506,
"volume_molar": 18.688974534229146,
"formula_full": "Ba6 Br4 O4",
"formula_reduced": "Ba3(BrO)2",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 0.3384889214285713,
"spacegroup": 14
}
]
}