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=density&page=1090",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density&page=1088",
"results": [
{
"id": "jvasp-9401",
"created_at": "2022-09-04T14:37:06.793984Z",
"updated_at": "2022-09-04T14:37:06.793995Z",
"structure_string": "Na4 Ga4 O8\n1.0\n5.341946 0.000000 0.000000\n0.000000 5.569543 0.000000\n0.000000 0.000000 7.235977\nNa Ga O\n4 4 8\ndirect\n0.014141 0.068026 0.622465 Na\n0.514142 0.431974 0.122464 Na\n0.514142 0.931974 0.377536 Na\n0.014141 0.568025 0.877536 Na\n-0.000055 0.064209 0.126065 Ga\n0.499946 0.935791 0.873935 Ga\n0.499946 0.435791 0.626065 Ga\n-0.000055 0.564208 0.373935 Ga\n0.153033 0.458901 0.590456 O\n0.653033 0.541099 0.409545 O\n0.653033 0.041099 0.090456 O\n0.153033 0.958901 0.909545 O\n0.082382 0.888877 0.338490 O\n0.082382 0.388877 0.161510 O\n0.582382 0.611122 0.838491 O\n0.582382 0.111123 0.661510 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Na",
"Ga",
"O"
],
"chemical_system": "Ga-Na-O",
"density": 3.8476857976059184,
"density_atomic": 0.07431966613913567,
"volume": 215.28622007055316,
"volume_molar": 8.103024505957553,
"formula_full": "Na4 Ga4 O8",
"formula_reduced": "NaGaO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.41315458125,
"spacegroup": 33
},
{
"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",
"energy_above_hull": 0.5257008446296298,
"spacegroup": 7
},
{
"id": "jvasp-59898",
"created_at": "2022-09-04T14:37:15.793172Z",
"updated_at": "2022-09-04T14:37:15.793196Z",
"structure_string": "Al2 Fe4 S8\n1.0\n6.837279 -0.024346 -0.046675\n-0.253183 6.832703 0.044616\n-3.294719 -3.400048 4.933359\nAl Fe S\n2 4 8\ndirect\n0.007490 0.027654 0.020147 Al\n0.007505 0.487385 0.479892 Al\n0.979156 -0.009755 0.488875 Fe\n0.510513 -0.041457 0.448011 Fe\n0.501389 -0.009720 0.011116 Fe\n0.510504 0.562449 0.051942 Fe\n0.752815 0.775335 0.022528 S\n0.769886 0.748910 0.520981 S\n0.752796 0.230268 0.477459 S\n0.738053 0.237862 0.000276 S\n0.252205 0.786856 0.534673 S\n0.237572 0.237802 0.499762 S\n0.227938 0.748937 -0.020992 S\n0.252152 0.217479 -0.034706 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Al",
"Fe",
"S"
],
"chemical_system": "Al-Fe-S",
"density": 3.8477978281833036,
"density_atomic": 0.06076609076176406,
"volume": 230.3916514045238,
"volume_molar": 9.910363962049242,
"formula_full": "Al2 Fe4 S8",
"formula_reduced": "Al(FeS2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.543790542857143,
"spacegroup": 44
},
{
"id": "jvasp-3372",
"created_at": "2022-09-04T14:36:05.658380Z",
"updated_at": "2022-09-04T14:36:05.658416Z",
"structure_string": "Rb2 Ni1 O2\n1.0\n3.971449 -0.000000 -1.199758\n-0.362442 3.954876 -1.199758\n0.003843 0.004212 7.185759\nRb Ni O\n2 1 2\ndirect\n0.348396 0.348398 0.696794 Rb\n0.651603 0.651605 0.303207 Rb\n0.000000 0.000000 0.000000 Ni\n0.870051 0.870050 0.740100 O\n0.129950 0.129951 0.259900 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Rb",
"Ni",
"O"
],
"chemical_system": "Ni-O-Rb",
"density": 3.84790256321912,
"density_atomic": 0.044285452223499,
"volume": 112.9038939190706,
"volume_molar": 13.598462830655023,
"formula_full": "Rb2 Ni1 O2",
"formula_reduced": "Rb2NiO2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.5881138799999994,
"spacegroup": 139
},
{
"id": "jvasp-99382",
"created_at": "2022-09-04T14:36:15.704270Z",
"updated_at": "2022-09-04T14:36:15.704290Z",
"structure_string": "K1 Rb2 In1 I6\n1.0\n7.551319 -0.000000 4.359756\n2.517106 7.119452 4.359756\n-0.000000 -0.000000 8.719512\nK Rb In I\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 K\n0.750001 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 In\n0.763715 0.236286 0.236286 I\n0.236286 0.236286 0.763714 I\n0.236286 0.763714 0.763714 I\n0.236286 0.763714 0.236286 I\n0.763715 0.236286 0.763714 I\n0.763715 0.763714 0.236286 I\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Rb",
"In",
"I"
],
"chemical_system": "I-In-K-Rb",
"density": 3.847944559836448,
"density_atomic": 0.021332337048837136,
"volume": 468.77189203913866,
"volume_molar": 28.230103181912167,
"formula_full": "K1 Rb2 In1 I6",
"formula_reduced": "KRb2InI6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-44472",
"created_at": "2022-09-04T14:38:13.295910Z",
"updated_at": "2022-09-04T14:38:13.295934Z",
"structure_string": "Li4 Cu2 Sb2 P4 O16\n1.0\n0.000000 4.758281 0.256818\n6.895640 0.000000 0.000000\n0.000000 -1.109395 -10.294860\nLi Cu Sb P O\n4 2 2 4 16\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.000000 0.500000 Li\n0.500000 0.500000 0.500000 Li\n0.967685 0.250000 0.260246 Cu\n0.032316 0.750000 0.739754 Cu\n0.441331 0.750000 0.218576 Sb\n0.558670 0.250000 0.781424 Sb\n0.562532 0.750000 0.926323 P\n0.098476 0.250000 0.567217 P\n0.901525 0.750000 0.432783 P\n0.437469 0.250000 0.073676 P\n0.673519 0.934227 0.867485 O\n0.673519 0.565773 0.867485 O\n0.259602 0.424398 0.648602 O\n0.259602 0.075602 0.648602 O\n0.778150 0.250000 0.565482 O\n0.808741 0.750000 0.568606 O\n0.191260 0.250000 0.431393 O\n0.764292 0.250000 0.079033 O\n0.740399 0.924398 0.351398 O\n0.740399 0.575602 0.351398 O\n0.326482 0.434227 0.132514 O\n0.326482 0.065773 0.132514 O\n0.235709 0.750000 0.920967 O\n0.716367 0.750000 0.076289 O\n0.221851 0.750000 0.434518 O\n0.283633 0.250000 0.923711 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Cu",
"Sb",
"P",
"O"
],
"chemical_system": "Cu-Li-O-P-Sb",
"density": 3.848246053552051,
"density_atomic": 0.08337699695555027,
"volume": 335.8240404715858,
"volume_molar": 7.2227844368279515,
"formula_full": "Li4 Cu2 Sb2 P4 O16",
"formula_reduced": "Li2CuSb(PO4)2",
"formula_anonymous": "ABC2D2E8",
"energy_above_hull": 2.312955396428571,
"spacegroup": 11
},
{
"id": "jvasp-14788",
"created_at": "2022-09-04T14:38:32.532623Z",
"updated_at": "2022-09-04T14:38:32.532642Z",
"structure_string": "Ba2\n1.0\n2.188788 -3.791090 -0.000000\n2.188788 3.791090 -0.000000\n0.000000 -0.000000 7.140938\nBa\n2\ndirect\n0.333334 0.666668 0.250000 Ba\n0.666668 0.333334 0.750000 Ba\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Ba"
],
"chemical_system": "Ba",
"density": 3.8484156677878256,
"density_atomic": 0.0168762886121569,
"volume": 118.50946887453038,
"volume_molar": 35.68403514776304,
"formula_full": "Ba2",
"formula_reduced": "Ba",
"formula_anonymous": "A",
"energy_above_hull": 0.01488,
"spacegroup": 194
},
{
"id": "jvasp-25242",
"created_at": "2022-09-04T14:38:16.490606Z",
"updated_at": "2022-09-04T14:38:16.490622Z",
"structure_string": "Ba2\n1.0\n4.377573 0.000000 -0.000000\n-2.188787 3.791090 -0.000000\n-0.000000 0.000000 7.140938\nBa\n2\ndirect\n0.333332 0.666667 0.250000 Ba\n0.666666 0.333333 0.750000 Ba\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Ba"
],
"chemical_system": "Ba",
"density": 3.848418305150356,
"density_atomic": 0.016876300177667253,
"volume": 118.50938765871445,
"volume_molar": 35.684010693109265,
"formula_full": "Ba2",
"formula_reduced": "Ba",
"formula_anonymous": "A",
"energy_above_hull": 0.01488,
"spacegroup": 194
},
{
"id": "jvasp-117240",
"created_at": "2022-09-04T14:38:49.871465Z",
"updated_at": "2022-09-04T14:38:49.871494Z",
"structure_string": "Mg2 Ga2 Mo2 S8\n1.0\n6.396804 0.000128 3.668107\n2.010174 5.938516 3.906019\n0.017665 0.303875 7.380215\nMg Ga Mo S\n2 2 2 8\ndirect\n0.861795 0.888204 0.888185 Mg\n0.109670 0.140287 0.140294 Mg\n0.504052 0.486924 0.486924 Ga\n0.022137 0.486917 0.486917 Ga\n0.497546 0.551992 -0.047083 Mo\n0.497548 -0.047087 0.551998 Mo\n0.780852 0.729821 0.729841 S\n0.273916 0.222548 0.729648 S\n0.273883 0.729651 0.222571 S\n0.707834 0.261726 0.261742 S\n0.721310 0.298212 0.759198 S\n0.259483 0.729861 0.729829 S\n0.268680 0.261733 0.261722 S\n0.721291 0.759219 0.298213 S\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Mg",
"Ga",
"Mo",
"S"
],
"chemical_system": "Ga-Mg-Mo-S",
"density": 3.84848178233746,
"density_atomic": 0.050980018444256085,
"volume": 274.61739770275386,
"volume_molar": 11.812747315077745,
"formula_full": "Mg2 Ga2 Mo2 S8",
"formula_reduced": "MgGaMoS4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.8722338964285716,
"spacegroup": 44
},
{
"id": "jvasp-31893",
"created_at": "2022-09-04T14:37:56.758470Z",
"updated_at": "2022-09-04T14:37:56.758500Z",
"structure_string": "Te4 W2 Cl12\n1.0\n6.472556 0.079764 -1.533241\n-0.279866 7.601486 -1.575242\n-0.097188 -0.084849 11.467288\nTe W Cl\n4 2 12\ndirect\n0.739331 0.850819 0.494174 Te\n0.617951 0.096407 0.673664 Te\n0.260668 0.149181 0.505826 Te\n0.382048 0.903593 0.326336 Te\n0.791175 0.329147 0.195360 W\n0.208825 0.670853 0.804640 W\n0.920998 0.046976 0.217486 Cl\n0.335342 0.390238 0.818538 Cl\n0.269962 0.630150 0.608385 Cl\n0.079001 0.953024 0.782514 Cl\n0.140353 0.711366 0.995569 Cl\n0.878251 0.551895 0.716977 Cl\n0.664657 0.609762 0.181463 Cl\n0.467129 0.202862 0.111917 Cl\n0.859647 0.288634 0.004432 Cl\n0.730038 0.369850 0.391616 Cl\n0.532871 0.797138 0.888084 Cl\n0.121748 0.448106 0.283023 Cl\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Te",
"W",
"Cl"
],
"chemical_system": "Cl-Te-W",
"density": 3.848504186319108,
"density_atomic": 0.032003612598732856,
"volume": 562.4365044561465,
"volume_molar": 18.817065546651566,
"formula_full": "Te4 W2 Cl12",
"formula_reduced": "Te2WCl6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 1.2869144375925925,
"spacegroup": 2
},
{
"id": "jvasp-9849",
"created_at": "2022-09-04T14:38:11.448225Z",
"updated_at": "2022-09-04T14:38:11.448252Z",
"structure_string": "Ca4 Al2 Co2 O10\n1.0\n5.203116 0.000309 -0.000342\n-0.000332 5.504773 -0.011894\n-2.600949 -2.736528 7.419664\nCa Al Co O\n4 2 2 10\ndirect\n0.897605 0.358606 0.781463 Ca\n0.615975 0.076945 0.218129 Ca\n0.115972 0.637487 0.218131 Ca\n0.397611 0.919151 0.781466 Ca\n0.794016 0.673831 0.499800 Al\n0.294010 0.322263 0.499792 Al\n0.496510 0.498046 0.999792 Co\n0.996511 0.998043 0.999793 Co\n0.237045 0.739213 0.975020 O\n0.261929 0.256772 0.024571 O\n0.116740 0.078047 0.293329 O\n0.823233 0.918044 0.706269 O\n0.136054 0.613615 0.499796 O\n0.323218 0.284505 0.706256 O\n0.636053 0.382478 0.499794 O\n0.737043 0.732101 0.975020 O\n0.616741 0.711597 0.293343 O\n0.761925 0.264095 0.024569 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Ca",
"Al",
"Co",
"O"
],
"chemical_system": "Al-Ca-Co-O",
"density": 3.8486004171722414,
"density_atomic": 0.08476987941134038,
"volume": 212.33957302989847,
"volume_molar": 7.104104431690825,
"formula_full": "Ca4 Al2 Co2 O10",
"formula_reduced": "Ca2AlCoO5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 1.824095782222222,
"spacegroup": 46
},
{
"id": "jvasp-58258",
"created_at": "2022-09-04T14:38:03.760695Z",
"updated_at": "2022-09-04T14:38:03.760705Z",
"structure_string": "Na2 Y2 P2 O8 F2\n1.0\n5.537027 -0.002375 1.246109\n1.170458 5.411905 1.246109\n-0.001529 -0.001234 6.503067\nNa Y P O F\n2 2 2 8 2\ndirect\n0.704879 0.295122 0.500000 Na\n0.295121 0.704879 0.500000 Na\n0.282704 0.282704 0.117836 Y\n0.717296 0.717297 0.882165 Y\n0.153292 0.153292 0.723558 P\n0.846709 0.846708 0.276442 P\n0.018635 0.018635 0.274305 O\n0.981366 0.981366 0.725696 O\n0.258614 0.258615 0.491762 O\n0.741386 0.741386 0.508239 O\n0.369036 0.016862 0.846235 O\n0.630964 0.983138 0.153765 O\n0.983139 0.630964 0.153765 O\n0.016861 0.369037 0.846236 O\n0.480301 0.480301 0.808893 F\n0.519700 0.519699 0.191108 F\n",
"nsites": 16,
"nelements": 5,
"elements": [
"Na",
"Y",
"P",
"O",
"F"
],
"chemical_system": "F-Na-O-P-Y",
"density": 3.848624150342518,
"density_atomic": 0.08209122058102634,
"volume": 194.9051297660698,
"volume_molar": 7.335913289358364,
"formula_full": "Na2 Y2 P2 O8 F2",
"formula_reduced": "NaYPO4F",
"formula_anonymous": "ABCDE4",
"energy_above_hull": 1.7444017790624995,
"spacegroup": 12
}
]
}