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=3852",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nsites&page=3850",
"results": [
{
"id": "jvasp-57281",
"created_at": "2022-09-04T14:38:34.613237Z",
"updated_at": "2022-09-04T14:38:34.613259Z",
"structure_string": "Al3 P3 O12\n1.0\n2.691752 -4.662251 -0.000000\n2.691752 4.662251 0.000000\n-0.000000 0.000000 10.883574\nAl P O\n3 3 12\ndirect\n-0.000000 0.500000 0.833333 Al\n0.500000 -0.000000 0.500000 Al\n0.500000 0.500000 0.166667 Al\n0.500000 0.500000 0.666667 P\n-0.000000 0.500000 0.333333 P\n0.500000 -0.000000 0.000000 P\n0.705272 0.441967 0.933489 O\n0.441967 0.705272 0.399844 O\n0.736695 0.441967 0.066511 O\n0.441967 0.736695 0.266822 O\n0.294728 0.558032 0.933489 O\n0.263305 0.705272 0.600156 O\n0.263305 0.558032 0.066511 O\n0.705272 0.263305 0.733177 O\n0.736695 0.294727 0.600156 O\n0.558032 0.263305 0.266822 O\n0.558032 0.294728 0.399844 O\n0.294727 0.736695 0.733177 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Al",
"P",
"O"
],
"chemical_system": "Al-O-P",
"density": 2.2239768443864545,
"density_atomic": 0.06589315158201763,
"volume": 273.169511062091,
"volume_molar": 9.139251371979382,
"formula_full": "Al3 P3 O12",
"formula_reduced": "AlPO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.567830383333334,
"spacegroup": 181
},
{
"id": "jvasp-113186",
"created_at": "2022-09-04T14:38:47.703663Z",
"updated_at": "2022-09-04T14:38:47.703696Z",
"structure_string": "Rb2 Mo2 P2 Cl2 O10\n1.0\n6.500234 -0.000000 0.000000\n0.000000 6.500234 0.000000\n-0.000000 -0.000000 7.423700\nRb Mo P Cl O\n2 2 2 2 10\ndirect\n0.000000 0.000000 0.500000 Rb\n0.500000 0.500000 0.500000 Rb\n0.500000 0.000000 0.093050 Mo\n-0.000000 0.500000 0.906950 Mo\n0.500000 0.500000 -0.000000 P\n0.000000 0.000000 0.000000 P\n-0.000000 0.500000 0.556601 Cl\n0.500000 0.000000 0.443399 Cl\n0.500000 0.688390 0.127182 O\n-0.000000 0.188390 0.872818 O\n0.688390 0.500000 0.872818 O\n0.311609 0.500000 0.872818 O\n0.188390 0.000000 0.127182 O\n0.500000 0.000000 0.868085 O\n0.500000 0.311609 0.127182 O\n-0.000000 0.500000 0.131915 O\n0.811609 0.000000 0.127182 O\n-0.000000 0.811609 0.872818 O\n",
"nsites": 18,
"nelements": 5,
"elements": [
"Rb",
"Mo",
"P",
"Cl",
"O"
],
"chemical_system": "Cl-Mo-O-P-Rb",
"density": 3.470974802542837,
"density_atomic": 0.05738443499315885,
"volume": 313.67390830189214,
"volume_molar": 10.494380158518483,
"formula_full": "Rb2 Mo2 P2 Cl2 O10",
"formula_reduced": "RbMoPClO5",
"formula_anonymous": "ABCDE5",
"energy_above_hull": 2.412450329722222,
"spacegroup": 129
},
{
"id": "jvasp-26049",
"created_at": "2022-09-04T14:38:35.208070Z",
"updated_at": "2022-09-04T14:38:35.208097Z",
"structure_string": "U6 Ti2 Ge10\n1.0\n4.260967 -7.380211 0.000000\n4.260967 7.380211 -0.000000\n0.000000 0.000000 5.680868\nU Ti Ge\n6 2 10\ndirect\n0.000000 0.610913 0.250000 U\n0.389087 0.000000 0.750000 U\n0.610913 0.610913 0.750000 U\n0.389087 0.389087 0.250000 U\n0.610913 0.000000 0.250000 U\n0.000000 0.389087 0.750000 U\n0.000000 0.000000 0.000000 Ti\n0.000000 0.000000 0.500000 Ti\n0.666667 0.333333 0.500000 Ge\n0.333333 0.666667 0.000000 Ge\n0.000000 0.738621 0.750000 Ge\n0.261379 0.000000 0.250000 Ge\n0.000000 0.261379 0.250000 Ge\n0.261379 0.261379 0.750000 Ge\n0.738621 0.000000 0.750000 Ge\n0.666667 0.333333 0.000000 Ge\n0.738622 0.738622 0.250000 Ge\n0.333333 0.666667 0.500000 Ge\n",
"nsites": 18,
"nelements": 3,
"elements": [
"U",
"Ti",
"Ge"
],
"chemical_system": "Ge-Ti-U",
"density": 10.458497919513448,
"density_atomic": 0.05037915304970664,
"volume": 357.29064325953004,
"volume_molar": 11.953636366332418,
"formula_full": "U6 Ti2 Ge10",
"formula_reduced": "U3TiGe5",
"formula_anonymous": "AB3C5",
"energy_above_hull": 3.3394706759259254,
"spacegroup": 193
},
{
"id": "jvasp-24369",
"created_at": "2022-09-04T14:38:32.247880Z",
"updated_at": "2022-09-04T14:38:32.247907Z",
"structure_string": "Li2 V4 F12\n1.0\n4.680977 -0.000000 0.000000\n-0.000000 4.680977 0.000000\n0.000000 0.000000 9.319307\nLi V F\n2 4 12\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Li\n0.000000 0.000000 0.667795 V\n0.500000 0.500000 0.167794 V\n0.500000 0.500000 0.832206 V\n0.000000 0.000000 0.332206 V\n0.801324 0.198677 0.168045 F\n0.801324 0.198677 0.831955 F\n0.198677 0.801324 0.831955 F\n0.301324 0.301324 0.331955 F\n0.695717 0.695717 0.000000 F\n0.304283 0.304283 0.000000 F\n0.195717 0.804283 0.500000 F\n0.198677 0.801324 0.168045 F\n0.301324 0.301324 0.668046 F\n0.698677 0.698677 0.668046 F\n0.804283 0.195717 0.500000 F\n0.698677 0.698677 0.331955 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Li",
"V",
"F"
],
"chemical_system": "F-Li-V",
"density": 3.623812780579311,
"density_atomic": 0.08814869192302922,
"volume": 204.2004209854579,
"volume_molar": 6.83179821347603,
"formula_full": "Li2 V4 F12",
"formula_reduced": "LiV2F6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.7898855661111113,
"spacegroup": 136
},
{
"id": "jvasp-112463",
"created_at": "2022-09-04T14:38:40.591033Z",
"updated_at": "2022-09-04T14:38:40.591059Z",
"structure_string": "Sr4 Ca2 I12\n1.0\n8.410366 -0.013638 0.447800\n-4.471051 7.123493 0.447800\n-0.156929 -0.283233 12.843150\nSr Ca I\n4 2 12\ndirect\n0.295629 0.583673 0.575256 Sr\n0.416328 0.704371 0.924744 Sr\n0.583673 0.295629 0.075256 Sr\n0.704371 0.416327 0.424744 Sr\n-0.013760 0.013760 0.250000 Ca\n0.013760 -0.013759 0.750000 Ca\n0.986835 0.257095 0.432591 I\n0.742905 0.013166 0.067409 I\n0.621415 0.933026 0.694658 I\n0.411396 0.276501 0.628966 I\n0.588605 0.723499 0.371034 I\n0.013166 0.742904 0.567409 I\n0.257096 0.986834 0.932591 I\n0.066974 0.378585 0.805342 I\n0.933027 0.621414 0.194658 I\n0.276501 0.411395 0.128966 I\n0.378585 0.066973 0.305342 I\n0.723500 0.588605 0.871034 I\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Sr",
"Ca",
"I"
],
"chemical_system": "Ca-I-Sr",
"density": 4.208411691638327,
"density_atomic": 0.023352345838548238,
"volume": 770.8005064864618,
"volume_molar": 25.788161933004258,
"formula_full": "Sr4 Ca2 I12",
"formula_reduced": "Sr2CaI6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.0002311111111115,
"spacegroup": 15
},
{
"id": "jvasp-119516",
"created_at": "2022-09-04T14:38:34.639035Z",
"updated_at": "2022-09-04T14:38:34.639062Z",
"structure_string": "Bi8 Te6 N4\n1.0\n7.666064 -0.000000 0.000000\n0.000000 16.397955 0.000000\n0.000000 0.000000 4.115547\nBi Te N\n8 6 4\ndirect\n0.691233 0.937428 0.500000 Bi\n0.308766 0.062571 0.500000 Bi\n0.191234 0.562571 -0.000000 Bi\n0.808766 0.437428 -0.000000 Bi\n0.792122 0.642141 0.500000 Bi\n0.207877 0.357859 0.500000 Bi\n0.292123 0.857859 -0.000000 Bi\n0.707877 0.142141 -0.000000 Bi\n0.656573 0.780573 -0.000000 Te\n0.343427 0.219427 -0.000000 Te\n0.156573 0.719427 0.500000 Te\n0.500000 0.500000 0.500000 Te\n0.000000 0.000000 0.000000 Te\n0.843427 0.280573 0.500000 Te\n0.110246 0.426272 -0.000000 N\n0.610246 0.073728 0.500000 N\n0.389753 0.926272 0.500000 N\n0.889753 0.573728 -0.000000 N\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Bi",
"Te",
"N"
],
"chemical_system": "Bi-N-Te",
"density": 8.003197754979189,
"density_atomic": 0.034792273485969895,
"volume": 517.3562459854359,
"volume_molar": 17.308845202163774,
"formula_full": "Bi8 Te6 N4",
"formula_reduced": "Bi4Te3N2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 2.211553,
"spacegroup": 58
},
{
"id": "jvasp-113222",
"created_at": "2022-09-04T14:38:47.597989Z",
"updated_at": "2022-09-04T14:38:47.598000Z",
"structure_string": "Ni6 O1 F11\n1.0\n3.051954 -0.000000 0.000000\n0.000000 4.699400 0.058155\n0.000000 0.074673 13.665332\nNi O F\n6 1 11\ndirect\n-0.000000 0.974148 0.008721 Ni\n0.499999 0.524014 0.160036 Ni\n-0.000000 0.011840 0.329807 Ni\n0.499999 0.502924 0.498589 Ni\n-0.000000 0.993779 0.667332 Ni\n0.499999 0.485116 0.836027 Ni\n0.499999 0.830576 0.073531 O\n-0.000000 0.314773 0.761548 F\n0.499999 0.815740 0.741456 F\n0.499999 0.170193 0.592206 F\n-0.000000 0.670413 0.573975 F\n-0.000000 0.682701 0.239328 F\n0.499999 0.837073 0.405769 F\n0.499999 0.192936 0.256849 F\n-0.000000 0.666984 0.907334 F\n-0.000000 0.328894 0.092711 F\n-0.000000 0.334359 0.423902 F\n0.499999 0.163530 0.930877 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ni",
"O",
"F"
],
"chemical_system": "F-Ni-O",
"density": 4.8901337761063886,
"density_atomic": 0.09184622068569752,
"volume": 195.9797568764089,
"volume_molar": 6.556764900112847,
"formula_full": "Ni6 O1 F11",
"formula_reduced": "Ni6OF11",
"formula_anonymous": "AB6C11",
"energy_above_hull": 0.3949039448611112,
"spacegroup": 6
},
{
"id": "jvasp-12495",
"created_at": "2022-09-04T14:38:34.449463Z",
"updated_at": "2022-09-04T14:38:34.449492Z",
"structure_string": "Na3 Hg6 I3 O6\n1.0\n3.370542 -5.837951 -0.000000\n3.370542 5.837951 0.000000\n0.000000 0.000000 10.085276\nNa Hg I O\n3 6 3 6\ndirect\n0.000000 0.000000 0.666667 Na\n0.000000 0.000000 0.000000 Na\n0.000000 0.000000 0.333333 Na\n0.500000 -0.000000 0.167889 Hg\n-0.000000 0.500000 0.834556 Hg\n0.500000 0.500000 0.501223 Hg\n-0.000000 0.500000 0.498778 Hg\n0.500000 -0.000000 0.832112 Hg\n0.500000 0.500000 0.165445 Hg\n0.500000 0.500000 0.833333 I\n0.500000 -0.000000 0.500000 I\n-0.000000 0.500000 0.166667 I\n0.147045 0.852955 0.833333 O\n0.852955 0.147045 0.833333 O\n0.147045 0.294090 0.500000 O\n0.705910 0.852955 0.166667 O\n0.294090 0.147045 0.166667 O\n0.852955 0.705910 0.500000 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Na",
"Hg",
"I",
"O"
],
"chemical_system": "Hg-I-Na-O",
"density": 7.318386477832052,
"density_atomic": 0.045351800428198016,
"volume": 396.89714256213495,
"volume_molar": 13.278724776394244,
"formula_full": "Na3 Hg6 I3 O6",
"formula_reduced": "NaHg2IO2",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 0.0,
"spacegroup": 180
},
{
"id": "jvasp-116973",
"created_at": "2022-09-04T14:38:47.656930Z",
"updated_at": "2022-09-04T14:38:47.656959Z",
"structure_string": "Tm10 In8\n1.0\n9.134972 -0.000000 0.000000\n-4.567485 7.911119 0.000000\n-0.000000 -0.000000 6.526536\nTm In\n10 8\ndirect\n0.333333 0.666667 0.500000 Tm\n0.290661 0.290661 0.250000 Tm\n-0.000000 0.709339 0.250000 Tm\n-0.000000 0.290661 0.750000 Tm\n0.709339 0.000000 0.250000 Tm\n0.709338 0.709339 0.750000 Tm\n0.333333 0.666667 -0.000000 Tm\n0.666666 0.333333 -0.000000 Tm\n0.666666 0.333333 0.500000 Tm\n0.290661 0.000000 0.750000 Tm\n0.372436 0.372437 0.750000 In\n0.000000 0.000000 0.500000 In\n0.000000 0.000000 0.000000 In\n0.627563 0.000000 0.750000 In\n0.372437 0.000000 0.250000 In\n-0.000000 0.627563 0.750000 In\n-0.000000 0.372437 0.250000 In\n0.627563 0.627563 0.250000 In\n",
"nsites": 18,
"nelements": 2,
"elements": [
"Tm",
"In"
],
"chemical_system": "In-Tm",
"density": 9.181419722846522,
"density_atomic": 0.038163186475096936,
"volume": 471.65872828113413,
"volume_molar": 15.779973624397682,
"formula_full": "Tm10 In8",
"formula_reduced": "Tm5In4",
"formula_anonymous": "A4B5",
"energy_above_hull": 0.6530276574074074,
"spacegroup": 193
},
{
"id": "jvasp-21109",
"created_at": "2022-09-04T14:38:34.733665Z",
"updated_at": "2022-09-04T14:38:34.733693Z",
"structure_string": "Y2 B8 Rh8\n1.0\n5.331450 0.000000 0.000000\n0.000000 5.331450 0.000000\n0.000000 0.000000 7.475723\nY B Rh\n2 8 8\ndirect\n0.500000 0.500000 0.000000 Y\n0.000000 0.000000 0.500000 Y\n0.168122 0.500000 0.351256 B\n0.500000 0.168122 0.648744 B\n0.500000 0.831878 0.648744 B\n0.831878 0.500000 0.351256 B\n0.331878 0.000000 0.148744 B\n0.000000 0.331878 0.851256 B\n0.668122 0.000000 0.148744 B\n0.000000 0.668122 0.851256 B\n0.000000 0.248515 0.145502 Rh\n0.248515 0.000000 0.854498 Rh\n0.000000 0.751484 0.145502 Rh\n0.500000 0.748515 0.354498 Rh\n0.500000 0.251484 0.354498 Rh\n0.748515 0.500000 0.645501 Rh\n0.251484 0.500000 0.645501 Rh\n0.751484 0.000000 0.854498 Rh\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Y",
"B",
"Rh"
],
"chemical_system": "B-Rh-Y",
"density": 8.498688905669068,
"density_atomic": 0.08470881821993669,
"volume": 212.49263510281864,
"volume_molar": 7.109225328069394,
"formula_full": "Y2 B8 Rh8",
"formula_reduced": "Y(BRh)4",
"formula_anonymous": "AB4C4",
"energy_above_hull": 4.195443087037036,
"spacegroup": 137
},
{
"id": "jvasp-31188",
"created_at": "2022-09-04T14:38:34.930432Z",
"updated_at": "2022-09-04T14:38:34.930459Z",
"structure_string": "Rb2 Te4 O12\n1.0\n7.416520 -0.000000 0.000000\n3.708260 6.422896 0.000000\n3.708260 2.140965 6.055564\nRb Te O\n2 4 12\ndirect\n0.375000 0.375001 0.375000 Rb\n0.625000 0.625001 0.625000 Rb\n0.500000 0.000000 0.000000 Te\n-0.000000 0.500000 0.000000 Te\n0.000000 0.000000 0.000000 Te\n-0.000000 0.000000 0.500000 Te\n0.070410 0.070411 0.679589 O\n0.070410 0.679590 0.070410 O\n0.070410 0.679591 0.679589 O\n0.929589 0.320411 0.929589 O\n0.679590 0.070410 0.070410 O\n0.929590 0.320411 0.320410 O\n0.320410 0.929591 0.929589 O\n0.679590 0.679590 0.070410 O\n0.679590 0.070411 0.679589 O\n0.929589 0.929591 0.320410 O\n0.320410 0.320411 0.929589 O\n0.320410 0.929591 0.320410 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Rb",
"Te",
"O"
],
"chemical_system": "O-Rb-Te",
"density": 5.027371978807379,
"density_atomic": 0.06240032397377279,
"volume": 288.46004080949166,
"volume_molar": 9.650816496611684,
"formula_full": "Rb2 Te4 O12",
"formula_reduced": "Rb(TeO3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 1.877646281481482,
"spacegroup": 227
},
{
"id": "jvasp-116887",
"created_at": "2022-09-04T14:38:34.626685Z",
"updated_at": "2022-09-04T14:38:34.626712Z",
"structure_string": "Ti1 V4 Co1 O12\n1.0\n6.484152 0.030738 1.749744\n0.251766 6.479335 1.749744\n0.010477 0.010126 5.704596\nTi V Co O\n1 4 1 12\ndirect\n0.087750 0.912251 0.499999 Ti\n0.799912 0.609753 0.007267 V\n0.610956 0.797035 0.512206 V\n0.390248 0.200088 -0.007268 V\n0.202966 0.389045 0.487793 V\n0.912594 0.087406 -0.000001 Co\n0.186897 0.027518 0.123395 O\n0.376410 0.336032 0.682973 O\n0.364964 0.914517 0.515800 O\n0.345699 0.382922 0.183861 O\n0.663969 0.623592 0.317026 O\n0.811097 0.967782 0.395504 O\n0.617079 0.654302 0.816137 O\n0.085485 0.635037 0.484198 O\n0.911859 0.372584 0.019425 O\n0.972483 0.813104 0.876604 O\n0.627417 0.088142 0.980574 O\n0.032219 0.188904 0.604495 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Ti",
"V",
"Co",
"O"
],
"chemical_system": "Co-O-Ti-V",
"density": 3.4859586072151556,
"density_atomic": 0.07518973998702037,
"volume": 239.39436421920396,
"volume_molar": 8.009258658215298,
"formula_full": "Ti1 V4 Co1 O12",
"formula_reduced": "TiV4CoO12",
"formula_anonymous": "ABC4D12",
"energy_above_hull": 3.6004660018518515,
"spacegroup": 5
}
]
}