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=4070",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_anonymous&page=4068",
"results": [
{
"id": "jvasp-21452",
"created_at": "2022-09-04T14:38:31.227713Z",
"updated_at": "2022-09-04T14:38:31.227743Z",
"structure_string": "Rb1 Yb1 F3\n1.0\n4.392536 0.000000 -0.000000\n0.000000 4.392536 -0.000000\n0.000000 0.000000 4.392536\nYb Rb F\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Yb\n0.000000 0.000000 0.000000 Rb\n0.000000 0.500000 0.500000 F\n0.500000 0.000000 0.500000 F\n0.500000 0.500000 0.000000 F\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Yb",
"Rb",
"F"
],
"chemical_system": "F-Rb-Yb",
"density": 6.181681359720542,
"density_atomic": 0.05899619680612096,
"volume": 84.75122585327807,
"volume_molar": 10.207676233419832,
"formula_full": "Rb1 Yb1 F3",
"formula_reduced": "RbYbF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 221
},
{
"id": "jvasp-109772",
"created_at": "2022-09-04T14:38:19.394000Z",
"updated_at": "2022-09-04T14:38:19.394034Z",
"structure_string": "Ce1 Al3 Cu1\n1.0\n3.981027 0.024487 -4.729770\n-0.511332 3.948128 -4.729770\n-0.021387 -0.024487 6.182139\nCe Al Cu\n1 3 1\ndirect\n0.000000 0.000000 0.000000 Ce\n0.617151 0.617151 0.000001 Al\n0.382851 0.382851 0.000001 Al\n0.750000 0.250000 0.500001 Al\n0.250000 0.750000 0.500001 Cu\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ce",
"Al",
"Cu"
],
"chemical_system": "Al-Ce-Cu",
"density": 4.906126261948021,
"density_atomic": 0.05190565030075781,
"volume": 96.32862647955305,
"volume_molar": 11.602090957546634,
"formula_full": "Ce1 Al3 Cu1",
"formula_reduced": "CeAl3Cu",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.3739668699999998,
"spacegroup": 119
},
{
"id": "jvasp-21506",
"created_at": "2022-09-04T14:38:19.154786Z",
"updated_at": "2022-09-04T14:38:19.154812Z",
"structure_string": "Rb2 Ag2 F6\n1.0\n5.413551 -0.151587 -3.001905\n-3.500161 5.104451 -0.185471\n-0.103945 0.151587 6.189278\nRb Ag F\n2 2 6\ndirect\n0.000000 0.250000 0.250000 Rb\n0.000001 0.750000 0.750001 Rb\n0.500000 0.500000 0.000000 Ag\n0.500000 -0.000000 0.500001 Ag\n0.000977 0.250488 0.750488 F\n0.500001 0.750488 0.749513 F\n0.500000 0.249512 0.250488 F\n0.999023 0.749512 0.249513 F\n0.500000 0.750000 0.250001 F\n0.500001 0.250000 0.750001 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Rb",
"Ag",
"F"
],
"chemical_system": "Ag-F-Rb",
"density": 4.951723953832207,
"density_atomic": 0.059561048565608884,
"volume": 167.8949622417174,
"volume_molar": 10.110870955145073,
"formula_full": "Rb2 Ag2 F6",
"formula_reduced": "RbAgF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 221
},
{
"id": "jvasp-116333",
"created_at": "2022-09-04T14:38:30.776714Z",
"updated_at": "2022-09-04T14:38:30.776735Z",
"structure_string": "Mg1 Zn1 O3\n1.0\n2.756561 -2.752566 -0.045452\n2.756561 2.752566 -0.045452\n-0.760304 0.000000 4.485647\nMg Zn O\n1 1 3\ndirect\n0.457583 0.457583 0.750651 Mg\n-0.003800 -0.003800 0.003115 Zn\n0.485761 -0.026506 0.871476 O\n-0.026506 0.485761 0.871476 O\n0.200324 0.200324 0.389935 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Mg",
"Zn",
"O"
],
"chemical_system": "Mg-O-Zn",
"density": 3.368810116868793,
"density_atomic": 0.07365886509875971,
"volume": 67.88049195838332,
"volume_molar": 8.175717548628647,
"formula_full": "Mg1 Zn1 O3",
"formula_reduced": "MgZnO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.7553079899999999,
"spacegroup": 8
},
{
"id": "jvasp-36953",
"created_at": "2022-09-04T14:38:30.677341Z",
"updated_at": "2022-09-04T14:38:30.677369Z",
"structure_string": "K1 Ag1 Cl3\n1.0\n5.061893 0.006297 0.002604\n-0.006320 5.061712 0.014610\n-0.003077 -0.014909 5.062061\nK Ag Cl\n1 1 3\ndirect\n0.000013 0.997938 0.987794 K\n0.499988 0.498012 0.488069 Ag\n-0.000023 0.498002 0.488034 Cl\n0.500021 0.498044 0.988067 Cl\n0.499997 0.997999 0.488036 Cl\n",
"nsites": 5,
"nelements": 3,
"elements": [
"K",
"Ag",
"Cl"
],
"chemical_system": "Ag-Cl-K",
"density": 3.243289661534662,
"density_atomic": 0.03855029768808149,
"volume": 129.7006845564733,
"volume_molar": 15.621515581348808,
"formula_full": "K1 Ag1 Cl3",
"formula_reduced": "KAgCl3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.001506,
"spacegroup": 221
},
{
"id": "jvasp-36951",
"created_at": "2022-09-04T14:38:19.750769Z",
"updated_at": "2022-09-04T14:38:19.750792Z",
"structure_string": "Ba1 Hf1 O3\n1.0\n4.189721 -0.000066 -0.000218\n0.000065 4.189753 -0.000163\n0.000216 0.000154 4.189731\nBa Hf O\n1 1 3\ndirect\n0.987985 -0.000012 0.001984 Ba\n0.487999 0.499994 0.501992 Hf\n0.487986 -0.000001 0.502053 O\n0.988003 0.499988 0.501973 O\n0.488029 0.500026 0.002001 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"Hf",
"O"
],
"chemical_system": "Ba-Hf-O",
"density": 8.214294532788182,
"density_atomic": 0.06798456735403555,
"volume": 73.54610310251833,
"volume_molar": 8.85809970465676,
"formula_full": "Ba1 Hf1 O3",
"formula_reduced": "BaHfO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.925451894,
"spacegroup": 221
},
{
"id": "jvasp-26040",
"created_at": "2022-09-04T14:38:31.273313Z",
"updated_at": "2022-09-04T14:38:31.273334Z",
"structure_string": "Nb4 Se4 I12\n1.0\n7.120392 0.001634 0.081220\n3.559949 7.029259 0.040684\n2.172329 0.000718 13.662687\nNb Se I\n4 4 12\ndirect\n0.993232 0.876545 0.656305 Nb\n0.130293 0.876551 0.843701 Nb\n0.006768 0.123455 0.343695 Nb\n0.869707 0.123449 0.156299 Nb\n0.350417 0.613395 0.704317 Se\n0.036424 0.613359 0.795688 Se\n0.649583 0.386604 0.295683 Se\n0.963576 0.386641 0.204312 Se\n0.200882 0.110705 0.691668 I\n0.688390 0.110667 0.808335 I\n0.476482 0.296938 0.090026 I\n0.226462 0.296931 0.409958 I\n0.523518 0.703062 0.909974 I\n0.056908 0.202369 0.965954 I\n0.943092 0.797631 0.034045 I\n0.259352 0.797632 0.465957 I\n0.311610 0.889332 0.191665 I\n0.740647 0.202367 0.534043 I\n0.773538 0.703068 0.590042 I\n0.799118 0.889295 0.308332 I\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Nb",
"Se",
"I"
],
"chemical_system": "I-Nb-Se",
"density": 5.377660223587966,
"density_atomic": 0.029303484694121164,
"volume": 682.5126843706878,
"volume_molar": 20.55093727882867,
"formula_full": "Nb4 Se4 I12",
"formula_reduced": "NbSeI3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.1549483183333331,
"spacegroup": 15
},
{
"id": "jvasp-40190",
"created_at": "2022-09-04T14:38:31.285790Z",
"updated_at": "2022-09-04T14:38:31.285817Z",
"structure_string": "Ca4 Sn4 S12\n1.0\n3.840883 0.000000 0.000000\n-0.000000 8.171350 0.000000\n0.000000 0.000000 13.818321\nCa Sn S\n4 4 12\ndirect\n0.250000 0.925645 0.318917 Ca\n0.250000 0.425645 0.181083 Ca\n0.749999 0.074355 0.681083 Ca\n0.749999 0.574355 0.818917 Ca\n0.749999 0.322116 0.441477 Sn\n0.749999 0.822116 0.058523 Sn\n0.250000 0.677884 0.558523 Sn\n0.250000 0.177884 0.941477 Sn\n0.749999 0.693356 0.221001 S\n0.749999 0.193356 0.278999 S\n0.749999 0.357694 0.008820 S\n0.749999 0.857694 0.491180 S\n0.250000 0.642306 0.991180 S\n0.250000 0.023024 0.110283 S\n0.749999 0.976976 0.889717 S\n0.749999 0.476976 0.610283 S\n0.250000 0.806644 0.721001 S\n0.250000 0.523024 0.389717 S\n0.250000 0.142306 0.508820 S\n0.250000 0.306644 0.778999 S\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ca",
"Sn",
"S"
],
"chemical_system": "Ca-S-Sn",
"density": 3.905171825021926,
"density_atomic": 0.04611580856448327,
"volume": 433.69075860470286,
"volume_molar": 13.058733973143509,
"formula_full": "Ca4 Sn4 S12",
"formula_reduced": "CaSnS3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.974334424,
"spacegroup": 62
},
{
"id": "jvasp-119352",
"created_at": "2022-09-04T14:38:31.188794Z",
"updated_at": "2022-09-04T14:38:31.188822Z",
"structure_string": "V4 Ge4 O12\n1.0\n4.965864 0.290625 0.327116\n-0.238915 7.104659 -1.384498\n-0.502965 -0.926740 7.163088\nV Ge O\n4 4 12\ndirect\n0.249981 0.271747 0.271839 V\n0.250003 0.923498 0.923395 V\n0.750020 0.728256 0.728160 V\n0.749999 0.076501 0.076607 V\n0.752693 0.206274 0.578373 Ge\n0.252588 0.421940 0.793916 Ge\n0.747410 0.578061 0.206082 Ge\n0.247304 0.793729 0.421629 Ge\n0.426677 0.667182 0.840745 O\n0.926695 0.159071 0.332958 O\n0.097133 0.522653 0.311465 O\n0.597177 0.688640 0.477123 O\n0.402822 0.311364 0.522877 O\n0.079469 0.176977 0.007020 O\n0.420495 0.006967 0.177007 O\n0.920532 0.823021 -0.007018 O\n0.573322 0.332817 0.159255 O\n0.579504 -0.006967 0.822996 O\n0.902866 0.477349 0.688533 O\n0.073305 0.840931 0.667044 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"V",
"Ge",
"O"
],
"chemical_system": "Ge-O-V",
"density": 4.590054726706727,
"density_atomic": 0.08055135796916452,
"volume": 248.28879989405152,
"volume_molar": 7.4761505104672565,
"formula_full": "V4 Ge4 O12",
"formula_reduced": "VGeO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.24653613,
"spacegroup": 15
},
{
"id": "jvasp-17398",
"created_at": "2022-09-04T14:38:31.086120Z",
"updated_at": "2022-09-04T14:38:31.086146Z",
"structure_string": "Fe3 Pd1 N1\n1.0\n3.849213 0.000000 -0.000000\n0.000000 3.849213 -0.000000\n0.000000 0.000000 3.849213\nFe Pd N\n3 1 1\ndirect\n0.500000 0.000000 0.500000 Fe\n0.000000 0.500000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.000000 0.000000 0.000000 Pd\n0.500000 0.500000 0.500000 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Fe",
"Pd",
"N"
],
"chemical_system": "Fe-N-Pd",
"density": 8.384322880025403,
"density_atomic": 0.08767063914793247,
"volume": 57.031636230724516,
"volume_molar": 6.8690508230907765,
"formula_full": "Fe3 Pd1 N1",
"formula_reduced": "Fe3PdN",
"formula_anonymous": "ABC3",
"energy_above_hull": 3.61461309,
"spacegroup": 221
},
{
"id": "jvasp-34773",
"created_at": "2022-09-04T14:38:04.201401Z",
"updated_at": "2022-09-04T14:38:04.201426Z",
"structure_string": "Na4 Cl4 O12\n1.0\n6.540728 0.000000 -0.000000\n-0.000000 6.540728 -0.000000\n-0.000000 -0.000000 6.540728\nNa Cl O\n4 4 12\ndirect\n0.070369 0.070369 0.070369 Na\n0.429631 0.929632 0.570369 Na\n0.570369 0.429631 0.929632 Na\n0.929632 0.570369 0.429631 Na\n0.414062 0.414062 0.414062 Cl\n0.085939 0.585939 0.914062 Cl\n0.914062 0.085939 0.585939 Cl\n0.585939 0.914062 0.085939 Cl\n0.500555 0.298973 0.593755 O\n0.298973 0.593755 0.500555 O\n0.000555 0.201027 0.406246 O\n0.406246 0.000555 0.201027 O\n0.999445 0.701028 0.093755 O\n0.701028 0.093755 0.999445 O\n0.093755 0.999445 0.701028 O\n0.798973 0.906246 0.499445 O\n0.593755 0.500555 0.298973 O\n0.201027 0.406246 0.000555 O\n0.499445 0.798973 0.906246 O\n0.906246 0.499445 0.798973 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Na",
"Cl",
"O"
],
"chemical_system": "Cl-Na-O",
"density": 2.526618327812324,
"density_atomic": 0.07147459913726484,
"volume": 279.81968757307186,
"volume_molar": 8.425567729921308,
"formula_full": "Na4 Cl4 O12",
"formula_reduced": "NaClO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.349643742333333,
"spacegroup": 198
},
{
"id": "jvasp-20949",
"created_at": "2022-09-04T14:38:31.318127Z",
"updated_at": "2022-09-04T14:38:31.318154Z",
"structure_string": "Sr6 Si6 O18\n1.0\n6.778771 0.000410 2.276118\n2.987896 6.084753 2.276118\n-0.020733 -0.012918 10.990346\nSr Si O\n6 6 18\ndirect\n0.327945 0.845136 0.500899 Sr\n0.672056 0.154864 0.499102 Sr\n0.845136 0.327944 0.000899 Sr\n0.500000 0.000000 0.000000 Sr\n0.000001 0.500000 0.500000 Sr\n0.154865 0.672056 0.999102 Sr\n0.581885 0.667904 0.753871 Si\n0.332096 0.418116 0.746130 Si\n0.418117 0.332095 0.246130 Si\n0.667905 0.581883 0.253871 Si\n0.833787 0.166213 0.750000 Si\n0.166214 0.833786 0.250000 Si\n0.181623 0.371680 0.884823 O\n0.628320 0.818377 0.615178 O\n0.719445 0.534713 0.396005 O\n0.632982 0.367018 0.250000 O\n0.534714 0.719444 0.896005 O\n0.371681 0.181622 0.384823 O\n0.818378 0.628319 0.115177 O\n0.797948 0.417151 0.751722 O\n0.582849 0.202052 0.748279 O\n0.202053 0.582849 0.248279 O\n0.417152 0.797947 0.251722 O\n0.983500 0.111345 0.610224 O\n0.888655 0.016500 0.889777 O\n0.016501 0.888654 0.389777 O\n0.111346 0.983500 0.110224 O\n0.367019 0.632982 0.750000 O\n0.280556 0.465286 0.603995 O\n0.465287 0.280555 0.103995 O\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Sr",
"Si",
"O"
],
"chemical_system": "O-Si-Sr",
"density": 3.5948829827972566,
"density_atomic": 0.06612218094525393,
"volume": 453.70554284709084,
"volume_molar": 9.107595475391307,
"formula_full": "Sr6 Si6 O18",
"formula_reduced": "SrSiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.4466550819999997,
"spacegroup": 15
}
]
}