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=-formula_anonymous&page=3376",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_anonymous&page=3374",
"results": [
{
"id": "jvasp-109812",
"created_at": "2022-09-04T14:38:20.128466Z",
"updated_at": "2022-09-04T14:38:20.128480Z",
"structure_string": "Ba1 Mn2 O3\n1.0\n4.017886 -0.013667 -4.679906\n-0.367533 3.442496 -5.104827\n-0.029096 0.013667 6.167989\nBa Mn O\n1 2 3\ndirect\n0.500000 0.000000 0.500000 Ba\n0.812443 0.312443 0.500000 Mn\n0.187558 0.687559 0.500001 Mn\n0.000000 0.500001 0.500001 O\n0.295174 0.295174 0.000000 O\n0.704828 0.704827 0.000000 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Mn",
"O"
],
"chemical_system": "Ba-Mn-O",
"density": 5.759191289281535,
"density_atomic": 0.07049290459361789,
"volume": 85.11494929297059,
"volume_molar": 8.542903423708857,
"formula_full": "Ba1 Mn2 O3",
"formula_reduced": "BaMn2O3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 2.544275158793103,
"spacegroup": 71
},
{
"id": "jvasp-55665",
"created_at": "2022-09-04T14:38:06.587436Z",
"updated_at": "2022-09-04T14:38:06.587464Z",
"structure_string": "As4 Cl8 F12\n1.0\n8.584784 -0.000000 0.000000\n0.000000 8.584784 -0.000000\n-0.000000 -0.000000 6.238052\nAs Cl F\n4 8 12\ndirect\n-0.000000 0.500000 0.678456 As\n0.500000 0.000000 0.321544 As\n0.000000 0.000000 0.000000 As\n0.500000 0.500000 0.000000 As\n0.046434 0.808212 0.199114 Cl\n0.808212 0.953566 0.800885 Cl\n0.453566 0.691788 0.800885 Cl\n0.308212 0.453566 0.199114 Cl\n0.191788 0.046434 0.800885 Cl\n0.691788 0.546433 0.199114 Cl\n0.953566 0.191788 0.199114 Cl\n0.546433 0.308212 0.800885 Cl\n-0.000000 0.500000 0.959956 F\n-0.000000 0.500000 0.392628 F\n0.500000 0.000000 0.607371 F\n0.923719 0.307280 0.675780 F\n0.807280 0.576280 0.675780 F\n0.192719 0.423719 0.675780 F\n0.076280 0.692719 0.675780 F\n0.576280 0.192719 0.324219 F\n0.692719 0.923719 0.324219 F\n0.307280 0.076280 0.324219 F\n0.500000 0.000000 0.040043 F\n0.423719 0.807280 0.324219 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"As",
"Cl",
"F"
],
"chemical_system": "As-Cl-F",
"density": 2.9303409063684636,
"density_atomic": 0.052203966961619094,
"volume": 459.7351771685292,
"volume_molar": 11.53579145513509,
"formula_full": "As4 Cl8 F12",
"formula_reduced": "AsCl2F3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.1433462839062502,
"spacegroup": 85
},
{
"id": "jvasp-54976",
"created_at": "2022-09-04T14:38:10.749855Z",
"updated_at": "2022-09-04T14:38:10.749870Z",
"structure_string": "K8 Cu4 Br12\n1.0\n4.300463 0.000000 0.000000\n0.000000 12.518902 0.000000\n0.000000 0.000000 13.169985\nK Cu Br\n8 4 12\ndirect\n0.250000 0.177680 0.514759 K\n0.250000 0.513724 0.321975 K\n0.749999 0.822320 0.485240 K\n0.749999 0.486276 0.678024 K\n0.749999 0.986275 0.821975 K\n0.250000 0.677679 0.985240 K\n0.749999 0.322320 0.014760 K\n0.250000 0.013724 0.178025 K\n0.250000 0.255280 0.802458 Cu\n0.250000 0.755280 0.697542 Cu\n0.749999 0.744720 0.197542 Cu\n0.749999 0.244720 0.302458 Cu\n0.749999 0.370394 0.447516 Br\n0.749999 0.722322 0.793547 Br\n0.749999 0.222322 0.706452 Br\n0.250000 0.443120 0.862732 Br\n0.250000 0.943120 0.637267 Br\n0.250000 0.777678 0.293547 Br\n0.250000 0.277678 0.206452 Br\n0.250000 0.629606 0.552484 Br\n0.250000 0.129606 0.947515 Br\n0.749999 0.056880 0.362732 Br\n0.749999 0.870394 0.052484 Br\n0.749999 0.556880 0.137268 Br\n",
"nsites": 24,
"nelements": 3,
"elements": [
"K",
"Cu",
"Br"
],
"chemical_system": "Br-Cu-K",
"density": 3.5734294292582347,
"density_atomic": 0.033848895820928045,
"volume": 709.0334682397917,
"volume_molar": 17.79124728871256,
"formula_full": "K8 Cu4 Br12",
"formula_reduced": "K2CuBr3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-25562",
"created_at": "2022-09-04T14:38:11.473024Z",
"updated_at": "2022-09-04T14:38:11.473054Z",
"structure_string": "Ca4 Si6 Ag2\n1.0\n5.614303 0.030613 -2.089371\n-0.986361 5.527064 -2.089371\n-0.000462 -0.000555 8.346660\nCa Si Ag\n4 6 2\ndirect\n0.750000 0.250000 0.500000 Ca\n0.248007 0.751992 -0.000000 Ca\n0.250000 0.750000 0.500000 Ca\n0.751993 0.248006 -0.000000 Ca\n0.325307 0.325307 0.162043 Si\n0.163265 0.163265 0.837957 Si\n0.674693 0.674692 0.837957 Si\n0.836735 0.836734 0.162043 Si\n0.162046 0.162046 0.324093 Si\n0.837954 0.837954 0.675907 Si\n0.666673 0.666673 0.333348 Ag\n0.333326 0.333326 0.666652 Ag\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ca",
"Si",
"Ag"
],
"chemical_system": "Ag-Ca-Si",
"density": 3.488126265875304,
"density_atomic": 0.046288967309868416,
"volume": 259.2410394396874,
"volume_molar": 13.009883585620909,
"formula_full": "Ca4 Si6 Ag2",
"formula_reduced": "Ca2Si3Ag",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.4446539833333332,
"spacegroup": 69
},
{
"id": "jvasp-10795",
"created_at": "2022-09-04T14:38:06.183775Z",
"updated_at": "2022-09-04T14:38:06.183802Z",
"structure_string": "Rb4 Ge2 S6\n1.0\n6.317179 -0.000000 2.735971\n2.760807 6.626100 2.286440\n-0.019765 0.005227 8.706596\nRb Ge S\n4 2 6\ndirect\n0.082266 0.199012 0.636455 Rb\n0.917735 0.800988 0.363545 Rb\n0.693745 0.428875 0.183635 Rb\n0.306256 0.571125 0.816364 Rb\n0.379646 0.053798 0.186911 Ge\n0.620355 0.946203 0.813089 Ge\n0.612793 0.181634 0.592781 S\n0.387208 0.818366 0.407219 S\n0.797740 0.630558 0.773965 S\n0.747091 0.000000 -0.000000 S\n0.252909 0.000000 -0.000000 S\n0.202261 0.369443 0.226035 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Rb",
"Ge",
"S"
],
"chemical_system": "Ge-Rb-S",
"density": 3.0935092845203997,
"density_atomic": 0.032897869963181114,
"volume": 364.7652572470573,
"volume_molar": 18.305564362494913,
"formula_full": "Rb4 Ge2 S6",
"formula_reduced": "Rb2GeS3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.6779659916666667,
"spacegroup": 12
},
{
"id": "jvasp-12384",
"created_at": "2022-09-04T14:38:06.285486Z",
"updated_at": "2022-09-04T14:38:06.285510Z",
"structure_string": "Rb4 Pb2 O6\n1.0\n6.117326 0.000000 0.000000\n0.000000 6.162082 -2.417757\n0.000000 -0.086343 6.618864\nRb Pb O\n4 2 6\ndirect\n0.267295 0.481573 0.807041 Rb\n0.767296 0.192959 0.518426 Rb\n0.767296 0.518427 0.192958 Rb\n0.267295 0.807042 0.481572 Rb\n0.741318 0.904442 0.904441 Pb\n0.241318 0.095558 0.095558 Pb\n0.659641 0.634280 0.634280 O\n0.159641 0.365720 0.365719 O\n0.002226 0.845319 0.107496 O\n0.502226 0.154681 0.892503 O\n0.002226 0.107497 0.845319 O\n0.502226 0.892503 0.154680 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Rb",
"Pb",
"O"
],
"chemical_system": "O-Pb-Rb",
"density": 5.701394513715443,
"density_atomic": 0.048343408058808934,
"volume": 248.22412158866013,
"volume_molar": 12.457005001952217,
"formula_full": "Rb4 Pb2 O6",
"formula_reduced": "Rb2PbO3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.80677022,
"spacegroup": 36
},
{
"id": "jvasp-109202",
"created_at": "2022-09-04T14:38:06.830667Z",
"updated_at": "2022-09-04T14:38:06.830703Z",
"structure_string": "Ce2 Ni1 Ge3\n1.0\n4.246994 -0.000000 0.000000\n-2.123497 3.678005 0.000000\n0.000000 0.000000 7.986099\nCe Ni Ge\n2 1 3\ndirect\n0.666666 0.333333 0.234647 Ce\n0.666666 0.333333 0.765353 Ce\n0.000000 0.000000 0.000000 Ni\n0.000000 0.000000 0.500000 Ge\n0.333332 0.666666 -0.000000 Ge\n0.333332 0.666666 0.500000 Ge\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ce",
"Ni",
"Ge"
],
"chemical_system": "Ce-Ge-Ni",
"density": 7.412335724915129,
"density_atomic": 0.048097510488090446,
"volume": 124.74658124947395,
"volume_molar": 12.520691193551812,
"formula_full": "Ce2 Ni1 Ge3",
"formula_reduced": "Ce2NiGe3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.323616875,
"spacegroup": 187
},
{
"id": "jvasp-110234",
"created_at": "2022-09-04T14:38:18.212206Z",
"updated_at": "2022-09-04T14:38:18.212236Z",
"structure_string": "Hf2 Al3 Zn1\n1.0\n4.550055 0.002058 2.524469\n1.487302 4.300109 2.524469\n0.002887 0.002058 5.203454\nHf Al Zn\n2 3 1\ndirect\n0.624196 0.624196 0.624194 Hf\n0.375805 0.375805 0.375804 Hf\n-0.000000 0.500000 0.000000 Al\n0.500000 0.000000 -0.000000 Al\n0.000000 0.000000 0.499999 Al\n0.000000 0.000000 0.000000 Zn\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Hf",
"Al",
"Zn"
],
"chemical_system": "Al-Hf-Zn",
"density": 8.214605839177707,
"density_atomic": 0.05897024690860119,
"volume": 101.74622482587675,
"volume_molar": 10.21216812833394,
"formula_full": "Hf2 Al3 Zn1",
"formula_reduced": "Hf2Al3Zn",
"formula_anonymous": "AB2C3",
"energy_above_hull": 2.601072466666667,
"spacegroup": 166
},
{
"id": "jvasp-45905",
"created_at": "2022-09-04T14:38:06.117230Z",
"updated_at": "2022-09-04T14:38:06.117249Z",
"structure_string": "Mn4 O2 F6\n1.0\n0.000000 3.156730 -0.000436\n4.899812 0.000000 0.000000\n0.000000 -0.001427 -9.945885\nMn O F\n4 2 6\ndirect\n0.755692 0.857707 0.142182 Mn\n0.755691 0.142293 0.642182 Mn\n0.255698 0.294144 0.356712 Mn\n0.255697 0.705856 0.856712 Mn\n0.755697 0.150015 0.267014 O\n0.755696 -0.150015 0.767014 O\n0.755684 0.430938 0.487541 F\n0.755683 0.569061 0.987541 F\n0.255704 0.998825 0.023968 F\n0.255723 0.657019 0.242083 F\n0.255704 0.001175 0.523968 F\n0.255723 0.342980 0.742083 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 3.9478707239838764,
"density_atomic": 0.0780047320724419,
"volume": 153.8368209361423,
"volume_molar": 7.7202249145697,
"formula_full": "Mn4 O2 F6",
"formula_reduced": "Mn2OF3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.5640664717097703,
"spacegroup": 26
},
{
"id": "jvasp-4720",
"created_at": "2022-09-04T14:38:06.814091Z",
"updated_at": "2022-09-04T14:38:06.814126Z",
"structure_string": "Pr1 Al2 Ni3\n1.0\n2.685778 -4.651902 0.000000\n2.685778 4.651902 0.000000\n0.000000 0.000000 3.789368\nPr Al Ni\n1 2 3\ndirect\n0.000000 0.000000 0.000000 Pr\n0.333334 0.666667 0.000000 Al\n0.666667 0.333334 0.000000 Al\n0.500000 0.000000 0.500000 Ni\n0.500000 0.500000 0.500000 Ni\n0.000000 0.500000 0.500000 Ni\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Pr",
"Al",
"Ni"
],
"chemical_system": "Al-Ni-Pr",
"density": 6.505311697810416,
"density_atomic": 0.0633656365942529,
"volume": 94.68854607142359,
"volume_molar": 9.503795880030966,
"formula_full": "Pr1 Al2 Ni3",
"formula_reduced": "PrAl2Ni3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.4183404416666667,
"spacegroup": 191
},
{
"id": "jvasp-10251",
"created_at": "2022-09-04T14:38:10.951033Z",
"updated_at": "2022-09-04T14:38:10.951065Z",
"structure_string": "K4 S2 O6\n1.0\n2.982046 -5.165055 -0.000000\n2.982046 5.165055 -0.000000\n0.000000 0.000000 6.895519\nK S O\n4 2 6\ndirect\n0.666668 0.333334 0.672309 K\n0.333334 0.666668 0.327691 K\n0.000000 0.000000 0.500000 K\n0.000000 0.000000 0.000000 K\n0.666668 0.333334 0.175933 S\n0.333334 0.666668 0.824067 S\n0.197239 0.394478 0.733767 O\n0.605524 0.802763 0.733767 O\n0.197239 0.802762 0.733767 O\n0.802762 0.197239 0.266233 O\n0.802763 0.605524 0.266233 O\n0.394478 0.197239 0.266233 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"K",
"S",
"O"
],
"chemical_system": "K-O-S",
"density": 2.4743632778110727,
"density_atomic": 0.05649304733925882,
"volume": 212.4155195228921,
"volume_molar": 10.65996798479487,
"formula_full": "K4 S2 O6",
"formula_reduced": "K2SO3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.0332594166666669,
"spacegroup": 164
},
{
"id": "jvasp-46254",
"created_at": "2022-09-04T14:38:05.252194Z",
"updated_at": "2022-09-04T14:38:05.252219Z",
"structure_string": "Li4 Cr2 O6\n1.0\n2.486201 4.292841 -0.001157\n-2.486201 4.292841 0.001157\n-1.688325 0.000000 4.727565\nLi Cr O\n4 2 6\ndirect\n0.499999 0.500001 0.499999 Li\n0.839881 0.839882 0.499999 Li\n0.160117 0.160119 0.499999 Li\n0.000000 0.000000 0.000000 Li\n0.332739 0.332739 -0.000000 Cr\n0.667261 0.667261 -0.000000 Cr\n0.279856 0.720144 0.769352 O\n0.076429 0.566055 0.225954 O\n0.433945 0.923571 0.225954 O\n0.923570 0.433946 0.774045 O\n0.566054 0.076430 0.774045 O\n0.720142 0.279857 0.230647 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Li",
"Cr",
"O"
],
"chemical_system": "Cr-Li-O",
"density": 3.7483149905031246,
"density_atomic": 0.11893368765983045,
"volume": 100.89656039525099,
"volume_molar": 5.063444074167022,
"formula_full": "Li4 Cr2 O6",
"formula_reduced": "Li2CrO3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 2.1045863166666674,
"spacegroup": 12
}
]
}