HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nsites&page=4360",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nsites&page=4358",
"results": [
{
"id": "jvasp-98114",
"created_at": "2022-09-04T14:36:08.780433Z",
"updated_at": "2022-09-04T14:36:08.780455Z",
"structure_string": "Sr4 Co2 Se4 Cl4 O12\n1.0\n5.377288 0.000000 -0.250177\n0.000000 6.439534 0.000000\n-0.054835 0.000000 12.280490\nSr Co Se Cl O\n4 2 4 4 12\ndirect\n0.012385 0.302838 0.234444 Sr\n0.987614 0.697162 0.765556 Sr\n0.487614 0.802838 0.265556 Sr\n0.512385 0.197162 0.734444 Sr\n-0.000000 0.000000 0.500000 Co\n0.500000 0.500000 -0.000000 Co\n0.992746 0.763863 0.072093 Se\n0.492745 0.736136 0.572093 Se\n0.507254 0.263863 0.427906 Se\n0.007254 0.236137 0.927907 Se\n0.049087 0.330918 0.605052 Cl\n0.549087 0.169082 0.105052 Cl\n0.450912 0.830918 0.894948 Cl\n0.950913 0.669081 0.394948 Cl\n0.222150 0.573718 0.103533 O\n0.257034 0.377833 0.878785 O\n0.437776 0.429961 0.322612 O\n0.742965 0.622166 0.121215 O\n0.242964 0.877833 0.621215 O\n0.722150 0.926281 0.603533 O\n0.777849 0.426281 0.896466 O\n0.562224 0.570039 0.677388 O\n0.277850 0.073718 0.396467 O\n0.937775 0.070039 0.822612 O\n0.757035 0.122166 0.378785 O\n0.062224 0.929960 0.177388 O\n",
"nsites": 26,
"nelements": 5,
"elements": [
"Sr",
"Co",
"Se",
"Cl",
"O"
],
"chemical_system": "Cl-Co-O-Se-Sr",
"density": 4.366608702876507,
"density_atomic": 0.0611547429817332,
"volume": 425.15099781820925,
"volume_molar": 9.84738135813734,
"formula_full": "Sr4 Co2 Se4 Cl4 O12",
"formula_reduced": "Sr2CoSe2(ClO3)2",
"formula_anonymous": "AB2C2D2E6",
"energy_above_hull": 1.7177322606410257,
"spacegroup": 14
},
{
"id": "jvasp-98995",
"created_at": "2022-09-04T14:36:05.930399Z",
"updated_at": "2022-09-04T14:36:05.930433Z",
"structure_string": "Ba2 Te2 Mo4 O18\n1.0\n5.541778 0.000000 -0.075016\n0.000000 7.525526 0.000000\n0.018482 0.000000 8.882739\nBa Te Mo O\n2 2 4 18\ndirect\n0.272148 0.747431 0.066626 Ba\n0.727852 0.247431 0.933374 Ba\n0.628462 0.510091 0.420249 Te\n0.371537 0.010090 0.579751 Te\n0.223942 0.272919 0.229590 Mo\n0.776058 0.772919 0.770409 Mo\n0.784625 0.951598 0.325575 Mo\n0.215375 0.451598 0.674425 Mo\n0.980328 0.935554 0.832176 O\n0.019671 0.435554 0.167823 O\n0.489639 0.890061 0.805326 O\n0.510361 0.390061 0.194673 O\n0.444020 0.089835 0.369580 O\n0.286986 0.466440 0.867641 O\n0.541309 0.729000 0.329393 O\n0.705042 0.929816 0.557986 O\n0.294957 0.429816 0.442014 O\n0.220260 0.121643 0.079651 O\n0.779740 0.621643 0.920349 O\n0.963858 0.156956 0.356269 O\n0.036142 0.656957 0.643731 O\n0.019514 0.798700 0.333789 O\n0.980486 0.298700 0.666210 O\n0.713014 0.966441 0.132358 O\n0.458691 0.229000 0.670607 O\n0.555980 0.589835 0.630419 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Ba",
"Te",
"Mo",
"O"
],
"chemical_system": "Ba-Mo-O-Te",
"density": 5.385983960914086,
"density_atomic": 0.07018240234615988,
"volume": 370.46323766120867,
"volume_molar": 8.580699090773583,
"formula_full": "Ba2 Te2 Mo4 O18",
"formula_reduced": "BaTeMo2O9",
"formula_anonymous": "ABC2D9",
"energy_above_hull": 3.077319002820513,
"spacegroup": 4
},
{
"id": "jvasp-50352",
"created_at": "2022-09-04T14:35:54.739386Z",
"updated_at": "2022-09-04T14:35:54.739412Z",
"structure_string": "Li8 Sn2 B4 O12\n1.0\n3.431616 0.000000 0.000000\n0.000000 8.831281 0.000000\n0.000000 0.000000 9.243509\nLi Sn B O\n8 2 4 12\ndirect\n0.500001 0.807271 0.979310 Li\n0.000000 0.992144 0.808147 Li\n0.500001 0.492144 0.691853 Li\n0.000000 0.307271 0.520690 Li\n0.000000 0.692729 0.479310 Li\n0.500001 0.507856 0.308147 Li\n0.000000 0.007856 0.191853 Li\n0.500001 0.192729 0.020690 Li\n0.000000 0.500000 0.000000 Sn\n0.500001 0.000000 0.500000 Sn\n0.500001 0.760539 0.229918 B\n0.000000 0.260539 0.270082 B\n0.500001 0.239461 0.770082 B\n0.000000 0.739461 0.729918 B\n0.000000 0.225462 0.123542 O\n0.500001 0.361521 0.867620 O\n0.000000 0.774538 0.876458 O\n0.500001 0.094560 0.825676 O\n0.000000 0.594560 0.674325 O\n0.500001 0.274538 0.623542 O\n0.000000 0.861521 0.632380 O\n0.000000 0.138479 0.367620 O\n0.500001 0.725462 0.376458 O\n0.000000 0.405440 0.325676 O\n0.500001 0.905440 0.174324 O\n0.500001 0.638479 0.132380 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Li",
"Sn",
"B",
"O"
],
"chemical_system": "B-Li-O-Sn",
"density": 3.1309471750489526,
"density_atomic": 0.0928141286489901,
"volume": 280.129764492304,
"volume_molar": 6.488387972455017,
"formula_full": "Li8 Sn2 B4 O12",
"formula_reduced": "Li4Sn(BO3)2",
"formula_anonymous": "AB2C4D6",
"energy_above_hull": 2.3418744512820515,
"spacegroup": 58
},
{
"id": "jvasp-62553",
"created_at": "2022-09-04T14:35:55.045666Z",
"updated_at": "2022-09-04T14:35:55.045694Z",
"structure_string": "Na2 Ca2 Be4 B4 O12 F2\n1.0\n14.187383 -0.028731 0.000019\n-0.009327 4.661592 0.000002\n-0.004658 2.330797 4.033996\nNa Ca Be B O F\n2 2 4 4 12 2\ndirect\n0.862721 0.888899 0.991358 Na\n0.362721 0.880262 0.008641 Na\n0.611799 0.903644 0.982562 Ca\n0.111799 0.886208 0.017439 Ca\n0.974239 0.258076 0.319927 Be\n0.474238 0.578002 0.680077 Be\n0.748880 0.208850 0.362940 Be\n0.248880 0.571795 0.637058 Be\n0.722517 0.525741 0.694804 B\n0.000836 0.590614 0.637493 B\n0.222518 0.220547 0.305196 B\n0.500836 0.228105 0.362510 B\n0.235218 0.494701 0.338661 O\n0.735219 0.833363 0.661338 O\n0.231073 0.253474 0.993460 O\n0.731071 0.246929 0.006544 O\n0.486332 0.257919 0.640368 O\n0.986333 0.898284 0.359635 O\n0.524572 0.920454 0.406849 O\n0.496201 0.503544 0.050803 O\n0.996200 0.554348 0.949197 O\n0.696140 0.476496 0.435236 O\n0.024571 0.327304 0.593154 O\n0.196140 0.911739 0.564760 O\n0.361119 0.684602 0.614903 F\n0.861120 0.299494 0.385099 F\n",
"nsites": 26,
"nelements": 6,
"elements": [
"Na",
"Ca",
"Be",
"B",
"O",
"F"
],
"chemical_system": "B-Be-Ca-F-Na-O",
"density": 2.710099279317867,
"density_atomic": 0.09745479209116409,
"volume": 266.79036958673413,
"volume_molar": 6.17941984255283,
"formula_full": "Na2 Ca2 Be4 B4 O12 F2",
"formula_reduced": "NaCaBe2B2O6F",
"formula_anonymous": "ABCD2E2F6",
"energy_above_hull": 2.2115913899358977,
"spacegroup": 9
},
{
"id": "jvasp-27065",
"created_at": "2022-09-04T14:37:58.706077Z",
"updated_at": "2022-09-04T14:37:58.706101Z",
"structure_string": "K6 Mn4 O16\n1.0\n0.000000 7.830516 0.017806\n5.735990 0.000000 0.000000\n0.000000 -3.607993 -9.012097\nK Mn O\n6 4 16\ndirect\n0.343063 0.250000 0.953479 K\n0.656938 0.750000 0.046521 K\n0.156930 0.250000 0.546524 K\n0.249918 0.750000 0.249917 K\n0.843070 0.750000 0.453476 K\n0.750082 0.250000 0.750083 K\n0.564773 0.250000 0.342612 Mn\n0.435228 0.750000 0.657388 Mn\n0.064834 0.750000 0.842582 Mn\n0.935167 0.250000 0.157418 Mn\n0.460273 0.517071 0.761318 O\n0.960234 0.482932 0.261349 O\n0.727295 0.250000 0.028445 O\n0.039767 0.982932 0.738651 O\n0.039767 0.517068 0.738651 O\n0.539727 0.017071 0.238682 O\n0.460273 0.982929 0.761318 O\n0.411277 0.250000 0.419315 O\n0.227379 0.750000 0.528390 O\n0.772622 0.250000 0.471610 O\n0.588724 0.750000 0.580685 O\n0.088617 0.250000 0.080665 O\n0.960234 0.017068 0.261349 O\n0.272706 0.750000 0.971555 O\n0.539727 0.482929 0.238682 O\n0.911384 0.750000 0.919335 O\n",
"nsites": 26,
"nelements": 3,
"elements": [
"K",
"Mn",
"O"
],
"chemical_system": "K-Mn-O",
"density": 2.916631971131825,
"density_atomic": 0.06429012504187004,
"volume": 404.41669670213054,
"volume_molar": 9.36713182013253,
"formula_full": "K6 Mn4 O16",
"formula_reduced": "K3Mn2O8",
"formula_anonymous": "A2B3C8",
"energy_above_hull": 2.2203397294429705,
"spacegroup": 166
},
{
"id": "jvasp-31826",
"created_at": "2022-09-04T14:37:59.102949Z",
"updated_at": "2022-09-04T14:37:59.102978Z",
"structure_string": "Cr1 Si1 H12 O6 F6\n1.0\n6.279703 -0.019343 -0.021728\n-0.670556 6.243828 -0.021728\n-0.670556 -0.744118 6.199366\nCr Si H O F\n1 1 12 6 6\ndirect\n0.000000 0.000000 0.000000 Cr\n0.499999 0.500000 0.500000 Si\n0.422603 0.192834 0.062127 H\n0.821592 0.324845 0.225159 H\n0.937871 0.577397 0.807166 H\n0.807165 0.937873 0.577396 H\n0.774840 0.178408 0.675155 H\n0.675154 0.774842 0.178407 H\n0.324844 0.225159 0.821593 H\n0.225158 0.821593 0.324845 H\n0.577395 0.807167 0.937873 H\n0.062127 0.422604 0.192834 H\n0.178407 0.675155 0.774841 H\n0.192833 0.062128 0.422604 H\n0.938510 0.314401 0.133441 O\n0.061489 0.685599 0.866559 O\n0.133440 0.938511 0.314400 O\n0.314400 0.133441 0.938511 O\n0.685599 0.866560 0.061489 O\n0.866558 0.061490 0.685599 O\n0.292775 0.328890 0.569410 F\n0.707223 0.671111 0.430590 F\n0.671109 0.430591 0.707224 F\n0.569409 0.292776 0.328890 F\n0.430590 0.707224 0.671110 F\n0.328889 0.569410 0.292776 F\n",
"nsites": 26,
"nelements": 5,
"elements": [
"Cr",
"Si",
"H",
"O",
"F"
],
"chemical_system": "Cr-F-H-O-Si",
"density": 2.06662582443724,
"density_atomic": 0.10708874127065832,
"volume": 242.78929504164267,
"volume_molar": 5.6235050375459315,
"formula_full": "Cr1 Si1 H12 O6 F6",
"formula_reduced": "CrSiH12(OF)6",
"formula_anonymous": "ABC6D6E12",
"energy_above_hull": 2.5159645651923075,
"spacegroup": 148
},
{
"id": "jvasp-23448",
"created_at": "2022-09-04T14:37:40.593747Z",
"updated_at": "2022-09-04T14:37:40.593777Z",
"structure_string": "U2 Al20 Fe4\n1.0\n6.738770 -0.022419 -0.000000\n-0.926985 6.674746 -0.000000\n0.000000 0.000000 8.975663\nU Al Fe\n2 20 4\ndirect\n0.121202 0.878800 0.750000 U\n0.878799 0.121201 0.250000 U\n0.154995 0.845006 0.098046 Al\n0.845006 0.154994 0.598045 Al\n0.587992 0.864502 0.750000 Al\n0.412009 0.135498 0.250000 Al\n0.864502 0.587992 0.250000 Al\n0.135499 0.412009 0.750000 Al\n0.627250 0.372750 0.047878 Al\n0.372751 0.627250 0.952122 Al\n0.477626 0.219262 0.750000 Al\n0.776156 0.776156 0.500000 Al\n0.223845 0.223845 0.000000 Al\n0.223845 0.223845 0.500000 Al\n0.776156 0.776156 0.000000 Al\n0.154995 0.845006 0.401954 Al\n0.845006 0.154994 0.901954 Al\n0.780738 0.522375 0.750000 Al\n0.219262 0.477626 0.250000 Al\n0.522375 0.780739 0.250000 Al\n0.627250 0.372750 0.452122 Al\n0.372751 0.627250 0.547878 Al\n0.000000 0.500000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 -0.000000 0.500000 Fe\n0.500000 -0.000000 0.000000 Fe\n",
"nsites": 26,
"nelements": 3,
"elements": [
"U",
"Al",
"Fe"
],
"chemical_system": "Al-Fe-U",
"density": 5.098744329369198,
"density_atomic": 0.06443059429872385,
"volume": 403.53500201246743,
"volume_molar": 9.346709937330624,
"formula_full": "U2 Al20 Fe4",
"formula_reduced": "U(Al5Fe)2",
"formula_anonymous": "AB2C10",
"energy_above_hull": 2.789849615384615,
"spacegroup": 63
},
{
"id": "jvasp-98094",
"created_at": "2022-09-04T14:37:40.793899Z",
"updated_at": "2022-09-04T14:37:40.793917Z",
"structure_string": "Mg16 B2 Pt8\n1.0\n7.513573 0.000000 4.337963\n2.504524 7.083865 4.337963\n0.000000 0.000000 8.675927\nMg B Pt\n16 2 8\ndirect\n0.675128 0.675128 0.074872 Mg\n0.074872 0.074872 0.675128 Mg\n-0.000000 0.500000 0.500000 Mg\n0.925128 0.324872 0.324872 Mg\n0.324871 0.925128 0.324872 Mg\n0.074872 0.675128 0.675129 Mg\n0.675128 0.074872 0.675128 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 -0.000000 0.500000 Mg\n0.324872 0.324872 0.925129 Mg\n0.324871 0.925128 0.925129 Mg\n0.925128 0.324872 0.925128 Mg\n0.074872 0.675128 0.074872 Mg\n0.500000 0.500000 0.500000 Mg\n0.925127 0.925128 0.324872 Mg\n0.675128 0.074872 0.074872 Mg\n0.625000 0.625000 0.625000 B\n0.375000 0.375000 0.375000 B\n0.274766 0.675702 0.274766 Pt\n0.725233 0.725234 0.725234 Pt\n0.725234 0.324298 0.725234 Pt\n0.324298 0.725234 0.725234 Pt\n0.675702 0.274766 0.274766 Pt\n0.274766 0.274766 0.274766 Pt\n0.274766 0.274766 0.675702 Pt\n0.725233 0.725234 0.324298 Pt\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Mg",
"B",
"Pt"
],
"chemical_system": "B-Mg-Pt",
"density": 7.088288478102283,
"density_atomic": 0.056304184481512684,
"volume": 461.77740143873365,
"volume_molar": 10.695725043273388,
"formula_full": "Mg16 B2 Pt8",
"formula_reduced": "Mg8BPt4",
"formula_anonymous": "AB4C8",
"energy_above_hull": 0.7158054294871796,
"spacegroup": 227
},
{
"id": "jvasp-22777",
"created_at": "2022-09-04T14:37:51.490088Z",
"updated_at": "2022-09-04T14:37:51.490115Z",
"structure_string": "Y2 Al20 Fe4\n1.0\n6.769007 -0.005798 -0.000000\n-0.846343 6.715892 0.000000\n-0.000000 0.000000 9.008442\nY Al Fe\n2 20 4\ndirect\n0.873607 0.126393 0.250000 Y\n0.126394 0.873607 0.750000 Y\n0.227838 0.227838 0.500000 Al\n0.772163 0.772162 0.000000 Al\n0.772163 0.772162 0.500000 Al\n0.227838 0.227838 0.000000 Al\n0.373527 0.626473 0.546319 Al\n0.626473 0.373527 0.046319 Al\n0.626473 0.373527 0.453681 Al\n0.156236 0.843764 0.097206 Al\n0.583734 0.863334 0.750000 Al\n0.843764 0.156236 0.902794 Al\n0.156236 0.843764 0.402794 Al\n0.781526 0.521587 0.750000 Al\n0.218474 0.478412 0.250000 Al\n0.521588 0.781525 0.250000 Al\n0.478413 0.218474 0.750000 Al\n0.136666 0.416267 0.750000 Al\n0.863335 0.583733 0.250000 Al\n0.416267 0.136666 0.250000 Al\n0.843764 0.156236 0.597206 Al\n0.373527 0.626473 0.953681 Al\n0.500000 -0.000000 0.000000 Fe\n0.500000 -0.000000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n0.000000 0.500000 0.500000 Fe\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Y",
"Al",
"Fe"
],
"chemical_system": "Al-Fe-Y",
"density": 3.815270266115402,
"density_atomic": 0.06349534338994521,
"volume": 409.47884698135556,
"volume_molar": 9.484381749093169,
"formula_full": "Y2 Al20 Fe4",
"formula_reduced": "Y(Al5Fe)2",
"formula_anonymous": "AB2C10",
"energy_above_hull": 2.4908941884615383,
"spacegroup": 63
},
{
"id": "jvasp-35112",
"created_at": "2022-09-04T14:37:42.293827Z",
"updated_at": "2022-09-04T14:37:42.293847Z",
"structure_string": "Ba6 Ca4 Si4 N12\n1.0\n4.956749 3.429990 -1.033020\n4.956749 -3.429990 -1.033020\n0.005290 0.000000 -13.412294\nBa Ca Si N\n6 4 4 12\ndirect\n0.404474 0.595526 0.250000 Ba\n0.595526 0.404474 0.750000 Ba\n0.798580 0.323285 0.007062 Ba\n0.676716 0.201421 0.492938 Ba\n0.201421 0.676716 0.992938 Ba\n0.323285 0.798580 0.507061 Ba\n0.091707 0.211341 0.282249 Ca\n0.788660 0.908294 0.217751 Ca\n0.908294 0.788660 0.717751 Ca\n0.211341 0.091707 0.782249 Ca\n0.630320 0.928374 0.920035 Si\n0.071626 0.369681 0.579964 Si\n0.928374 0.630320 0.420036 Si\n0.369681 0.071626 0.079964 Si\n0.227716 0.436809 0.661532 N\n0.983786 0.890203 0.369711 N\n0.109797 0.016214 0.130288 N\n0.016214 0.109797 0.630288 N\n0.890203 0.983786 0.869711 N\n0.197479 0.377006 0.446469 N\n0.622994 0.802522 0.053531 N\n0.802522 0.622994 0.553531 N\n0.377006 0.197479 0.946468 N\n0.772284 0.563192 0.338468 N\n0.436809 0.227716 0.161532 N\n0.563192 0.772284 0.838468 N\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Ba",
"Ca",
"Si",
"N"
],
"chemical_system": "Ba-Ca-N-Si",
"density": 4.60519726211273,
"density_atomic": 0.057014616305496715,
"volume": 456.0234144291412,
"volume_molar": 10.562450736723475,
"formula_full": "Ba6 Ca4 Si4 N12",
"formula_reduced": "Ba3Ca2(SiN3)2",
"formula_anonymous": "A2B2C3D6",
"energy_above_hull": 3.2730911884615383,
"spacegroup": 15
},
{
"id": "jvasp-29384",
"created_at": "2022-09-04T14:37:50.803249Z",
"updated_at": "2022-09-04T14:37:50.803278Z",
"structure_string": "P4 Pb6 O16\n1.0\n5.521490 0.000000 0.000000\n-2.760745 6.759805 -1.579915\n0.000000 -0.014350 9.548499\nP Pb O\n4 6 16\ndirect\n0.356322 0.212646 0.452049 P\n0.643676 0.787353 0.547951 P\n0.856322 0.212646 0.952049 P\n0.143676 0.787353 0.047951 P\n0.250000 -0.000000 0.750000 Pb\n0.433927 0.367854 0.144978 Pb\n0.750000 -0.000000 0.250000 Pb\n0.066072 0.632145 0.355022 Pb\n0.933927 0.367854 0.644978 Pb\n0.566072 0.632145 0.855022 Pb\n0.741979 0.983962 0.914318 O\n0.895608 0.291217 0.118809 O\n0.258019 0.016038 0.085683 O\n0.834846 0.709261 0.612017 O\n0.604390 0.708783 0.381192 O\n0.165152 0.290738 0.387983 O\n0.395608 0.291217 0.618809 O\n0.125584 0.290738 0.887983 O\n0.334846 0.709261 0.112017 O\n0.374414 0.709261 0.612017 O\n0.665152 0.290738 0.887983 O\n0.758019 0.016038 0.585683 O\n0.625584 0.290738 0.387983 O\n0.874414 0.709261 0.112017 O\n0.104390 0.708783 0.881192 O\n0.241979 0.983962 0.414318 O\n",
"nsites": 26,
"nelements": 3,
"elements": [
"P",
"Pb",
"O"
],
"chemical_system": "O-P-Pb",
"density": 7.565149055441004,
"density_atomic": 0.07297941130624691,
"volume": 356.26486339955505,
"volume_molar": 8.251835212439588,
"formula_full": "P4 Pb6 O16",
"formula_reduced": "P2Pb3O8",
"formula_anonymous": "A2B3C8",
"energy_above_hull": 2.300963189230769,
"spacegroup": 166
},
{
"id": "jvasp-45178",
"created_at": "2022-09-04T14:37:59.212734Z",
"updated_at": "2022-09-04T14:37:59.212757Z",
"structure_string": "Li6 Fe2 Si2 B2 O14\n1.0\n0.000000 4.995538 0.064010\n6.151458 0.000000 0.000000\n0.000000 -0.744487 -8.241282\nLi Fe Si B O\n6 2 2 2 14\ndirect\n0.237427 0.750000 0.103837 Li\n0.747153 0.002406 0.247948 Li\n0.747153 0.497595 0.247948 Li\n0.252847 0.502406 0.752052 Li\n0.252847 0.997595 0.752052 Li\n0.762573 0.250000 0.896163 Li\n0.200747 0.250000 0.314480 Fe\n0.799253 0.750000 0.685520 Fe\n0.725072 0.250000 0.570985 Si\n0.274927 0.750000 0.429015 Si\n0.292113 0.250000 0.038067 B\n0.707887 0.750000 0.961933 B\n0.519672 0.750000 0.823580 O\n0.818937 0.051555 0.699150 O\n0.818937 0.448445 0.699150 O\n0.396214 0.250000 0.522610 O\n0.130754 0.750000 0.595910 O\n0.869246 0.250000 0.404089 O\n0.636263 0.750000 0.113766 O\n0.181063 0.551555 0.300850 O\n0.181063 0.948446 0.300850 O\n0.480328 0.250000 0.176420 O\n0.032405 0.250000 0.086751 O\n0.967595 0.750000 0.913248 O\n0.603786 0.750000 0.477390 O\n0.363737 0.250000 0.886234 O\n",
"nsites": 26,
"nelements": 5,
"elements": [
"Li",
"Fe",
"Si",
"B",
"O"
],
"chemical_system": "B-Fe-Li-O-Si",
"density": 2.987607084927368,
"density_atomic": 0.10278298775924667,
"volume": 252.9601499900061,
"volume_molar": 5.859083191963575,
"formula_full": "Li6 Fe2 Si2 B2 O14",
"formula_reduced": "Li3FeSiBO7",
"formula_anonymous": "ABCD3E7",
"energy_above_hull": 2.6605285525641023,
"spacegroup": 11
}
]
}