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=-created_at&page=1078",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-created_at&page=1076",
"results": [
{
"id": "jvasp-17516",
"created_at": "2022-09-04T14:38:13.453683Z",
"updated_at": "2022-09-04T14:38:13.453708Z",
"structure_string": "Ca1 Mn2 Ge2\n1.0\n3.749777 -0.000000 -1.340478\n-0.479197 3.719032 -1.340478\n0.091313 0.103833 6.170377\nCa Mn Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.750000 0.249999 0.500000 Mn\n0.249999 0.749999 0.500000 Mn\n0.375866 0.375866 0.751734 Ge\n0.624133 0.624133 0.248266 Ge\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ca",
"Mn",
"Ge"
],
"chemical_system": "Ca-Ge-Mn",
"density": 5.629009259956019,
"density_atomic": 0.05740984402328545,
"volume": 87.09307759087446,
"volume_molar": 10.489735449476955,
"formula_full": "Ca1 Mn2 Ge2",
"formula_reduced": "Ca(MnGe)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.985817360551724,
"spacegroup": 139
},
{
"id": "jvasp-34429",
"created_at": "2022-09-04T14:38:13.446386Z",
"updated_at": "2022-09-04T14:38:13.446409Z",
"structure_string": "Zr1 Fe1 F6\n1.0\n5.001391 0.000000 2.887554\n1.667130 4.715357 2.887554\n-0.000000 0.000000 5.775109\nZr Fe F\n1 1 6\ndirect\n0.500000 0.500000 0.499999 Zr\n0.000000 0.000000 0.000000 Fe\n0.251484 0.748517 0.748516 F\n0.251484 0.748517 0.251483 F\n0.748516 0.251484 0.251483 F\n0.748516 0.748517 0.251483 F\n0.251484 0.251484 0.748516 F\n0.748516 0.251484 0.748516 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Zr",
"Fe",
"F"
],
"chemical_system": "F-Fe-Zr",
"density": 3.182899253272432,
"density_atomic": 0.05873871134309022,
"volume": 136.19638254016763,
"volume_molar": 10.252422333246198,
"formula_full": "Zr1 Fe1 F6",
"formula_reduced": "ZrFeF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.603887711875,
"spacegroup": 225
},
{
"id": "jvasp-5845",
"created_at": "2022-09-04T14:38:13.444722Z",
"updated_at": "2022-09-04T14:38:13.444755Z",
"structure_string": "Nb4 I20\n1.0\n0.000000 10.719943 -0.113579\n6.442249 0.000000 0.000000\n0.000000 -4.832342 -13.231098\nNb I\n4 20\ndirect\n0.717926 0.487498 0.800514 Nb\n0.282074 0.987498 0.699486 Nb\n0.282074 0.512502 0.199486 Nb\n0.717926 0.012502 0.300514 Nb\n0.690577 0.259757 0.954570 I\n0.309423 0.759757 0.545431 I\n0.105199 0.763731 0.234317 I\n0.894801 0.263731 0.265683 I\n0.894801 0.236269 0.765683 I\n0.105199 0.736269 0.734317 I\n0.890198 0.751524 0.429318 I\n0.109801 0.251524 0.070683 I\n0.109802 0.248476 0.570683 I\n0.693907 0.760885 0.139920 I\n0.690577 0.240243 0.454570 I\n0.306093 0.260885 0.360080 I\n0.306093 0.239115 0.860080 I\n0.693907 0.739115 0.639920 I\n0.499950 0.744662 0.335448 I\n0.500050 0.244662 0.164552 I\n0.500050 0.255338 0.664552 I\n0.499950 0.755338 0.835448 I\n0.890199 0.748476 0.929318 I\n0.309423 0.740243 0.045431 I\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Nb",
"I"
],
"chemical_system": "I-Nb",
"density": 5.267400755447417,
"density_atomic": 0.026164236432836625,
"volume": 917.2826450184318,
"volume_molar": 23.016688354192123,
"formula_full": "Nb4 I20",
"formula_reduced": "NbI5",
"formula_anonymous": "AB5",
"energy_above_hull": 0.6462284624999997,
"spacegroup": 14
},
{
"id": "jvasp-17809",
"created_at": "2022-09-04T14:38:13.438128Z",
"updated_at": "2022-09-04T14:38:13.438145Z",
"structure_string": "Hf1 Co2 Sn1\n1.0\n3.819298 -0.000000 2.205073\n1.273099 3.600869 2.205073\n0.000000 0.000000 4.410146\nHf Co Sn\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Hf\n0.750000 0.750000 0.749999 Co\n0.250000 0.250000 0.250000 Co\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hf",
"Co",
"Sn"
],
"chemical_system": "Co-Hf-Sn",
"density": 11.363780348618194,
"density_atomic": 0.06595020603691862,
"volume": 60.651819613130826,
"volume_molar": 9.131344876510065,
"formula_full": "Hf1 Co2 Sn1",
"formula_reduced": "HfCo2Sn",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.0183566250000005,
"spacegroup": 225
},
{
"id": "jvasp-108977",
"created_at": "2022-09-04T14:38:13.434074Z",
"updated_at": "2022-09-04T14:38:13.434105Z",
"structure_string": "K2 Tl1 Ru1 F6\n1.0\n5.581699 -0.000000 3.222596\n1.860566 5.262477 3.222596\n-0.000000 -0.000000 6.445191\nK Tl Ru F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 K\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Ru\n0.220452 0.220452 0.779548 F\n0.220452 0.779549 0.779549 F\n0.779549 0.779549 0.220452 F\n0.220452 0.779549 0.220452 F\n0.779549 0.220452 0.779549 F\n0.779549 0.220452 0.220452 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Tl",
"Ru",
"F"
],
"chemical_system": "F-K-Ru-Tl",
"density": 4.364879329644256,
"density_atomic": 0.0528211174184457,
"volume": 189.31822136174446,
"volume_molar": 11.40100977473264,
"formula_full": "K2 Tl1 Ru1 F6",
"formula_reduced": "K2TlRuF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-51682",
"created_at": "2022-09-04T14:38:13.433712Z",
"updated_at": "2022-09-04T14:38:13.433729Z",
"structure_string": "Ce1 H3 C3 O6\n1.0\n5.354787 3.091588 1.362624\n-5.354787 3.091588 1.362624\n0.000000 -6.183175 1.362624\nCe H C O\n1 3 3 6\ndirect\n0.001132 0.001132 0.001132 Ce\n0.855499 0.370421 0.370421 H\n0.370421 0.370421 0.855500 H\n0.370421 0.855499 0.370421 H\n0.149785 0.609702 0.609702 C\n0.609702 0.609702 0.149785 C\n0.609702 0.149785 0.609702 C\n0.282600 0.881880 0.881880 O\n0.881880 0.881880 0.282600 O\n0.881880 0.282600 0.881880 O\n0.334884 0.590537 0.590537 O\n0.590537 0.590537 0.334884 O\n0.590537 0.334884 0.590537 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Ce",
"H",
"C",
"O"
],
"chemical_system": "C-Ce-H-O",
"density": 3.375953678339223,
"density_atomic": 0.09604887922560143,
"volume": 135.34775319413518,
"volume_molar": 6.269870932960167,
"formula_full": "Ce1 H3 C3 O6",
"formula_reduced": "CeH3(CO2)3",
"formula_anonymous": "AB3C3D6",
"energy_above_hull": 3.8983889615384624,
"spacegroup": 160
},
{
"id": "jvasp-57729",
"created_at": "2022-09-04T14:38:13.433290Z",
"updated_at": "2022-09-04T14:38:13.433315Z",
"structure_string": "Nd2 B6 O12\n1.0\n5.673662 -0.016571 2.917831\n-0.161071 5.671399 2.917831\n-0.011174 -0.011463 6.364238\nNd B O\n2 6 12\ndirect\n0.698229 0.301772 0.750000 Nd\n0.301771 0.698229 0.250000 Nd\n0.158319 0.291120 0.914710 B\n0.708881 0.841683 0.585289 B\n0.279353 0.720648 0.750000 B\n0.291119 0.158318 0.414711 B\n0.841682 0.708881 0.085289 B\n0.720648 0.279352 0.250000 B\n0.711501 0.888902 0.003228 O\n0.111099 0.288499 0.496772 O\n0.717083 0.494600 0.288256 O\n0.282918 0.505401 0.711743 O\n0.494600 0.717083 0.788256 O\n0.710344 0.085669 0.492719 O\n0.914331 0.289656 0.007281 O\n0.289656 0.914332 0.507280 O\n0.085670 0.710345 0.992719 O\n0.888902 0.711502 0.503228 O\n0.288499 0.111099 0.996771 O\n0.505400 0.282917 0.211743 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Nd",
"B",
"O"
],
"chemical_system": "B-Nd-O",
"density": 4.414160879392301,
"density_atomic": 0.09748986568511489,
"volume": 205.14952871715437,
"volume_molar": 6.17719669391183,
"formula_full": "Nd2 B6 O12",
"formula_reduced": "Nd(BO2)3",
"formula_anonymous": "AB3C6",
"energy_above_hull": 3.2441610249999995,
"spacegroup": 15
},
{
"id": "jvasp-46829",
"created_at": "2022-09-04T14:38:13.433042Z",
"updated_at": "2022-09-04T14:38:13.433060Z",
"structure_string": "Li3 V6 O3 F15\n1.0\n4.522745 -0.022106 -0.002188\n0.223054 8.547995 0.001609\n0.120203 4.271135 7.468863\nLi V O F\n3 6 3 15\ndirect\n0.500311 0.333011 0.334761 Li\n0.003452 0.000332 0.000182 Li\n0.491686 0.664276 0.667669 Li\n0.515187 0.305155 0.689766 V\n0.513144 0.985894 0.331207 V\n0.986942 0.003836 0.664578 V\n0.514320 0.664895 0.009197 V\n0.986112 0.349278 0.011074 V\n0.985309 0.660092 0.355305 V\n0.746968 0.467234 0.086857 O\n0.738849 0.785256 0.420130 O\n0.760716 0.116864 0.753896 O\n0.259210 0.539251 0.566442 F\n0.731114 0.783943 0.771287 F\n0.739747 0.440696 0.783073 F\n0.234097 0.226866 0.894768 F\n0.250541 0.893331 0.546982 F\n0.739869 0.437928 0.453770 F\n0.268150 0.222421 0.218001 F\n0.263546 0.216653 0.557662 F\n0.260506 0.561764 0.228907 F\n0.769233 0.776845 0.114791 F\n0.748255 0.110434 0.434074 F\n0.253216 0.564063 0.890508 F\n0.759912 0.118676 0.106032 F\n0.237047 0.883728 0.223775 F\n0.242524 0.887260 0.885198 F\n",
"nsites": 27,
"nelements": 4,
"elements": [
"Li",
"V",
"O",
"F"
],
"chemical_system": "F-Li-O-V",
"density": 3.792265733490388,
"density_atomic": 0.09350482610767548,
"volume": 288.755149054105,
"volume_molar": 6.44045982510593,
"formula_full": "Li3 V6 O3 F15",
"formula_reduced": "LiV2OF5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 1.1289248124999998,
"spacegroup": 1
},
{
"id": "jvasp-46072",
"created_at": "2022-09-04T14:38:13.424662Z",
"updated_at": "2022-09-04T14:38:13.424687Z",
"structure_string": "Ho4 S4 O4\n1.0\n6.168155 2.824341 -0.000000\n-6.168155 2.824341 -0.000000\n0.000000 0.000000 5.639205\nHo S O\n4 4 4\ndirect\n0.163788 0.836212 0.500000 Ho\n0.336212 0.663788 0.000000 Ho\n0.663788 0.336212 0.000000 Ho\n0.836212 0.163788 0.500000 Ho\n0.368466 0.368466 0.367797 S\n0.868466 0.868466 0.132202 S\n0.631534 0.631534 0.632204 S\n0.131534 0.131534 0.867798 S\n0.492677 0.992677 0.250000 O\n0.007322 0.507323 0.750001 O\n0.507323 0.007322 0.750001 O\n0.992677 0.492677 0.250000 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ho",
"S",
"O"
],
"chemical_system": "Ho-O-S",
"density": 7.200416841316352,
"density_atomic": 0.06107464602512204,
"volume": 196.4808767792776,
"volume_molar": 9.860295805108542,
"formula_full": "Ho4 S4 O4",
"formula_reduced": "HoSO",
"formula_anonymous": "ABC",
"energy_above_hull": 0.7371396888888888,
"spacegroup": 64
},
{
"id": "jvasp-51684",
"created_at": "2022-09-04T14:38:13.414150Z",
"updated_at": "2022-09-04T14:38:13.414176Z",
"structure_string": "K6 H10 Pd2\n1.0\n7.317002 0.000000 0.000000\n0.000000 7.317002 0.000000\n-0.000000 0.000000 5.785708\nK H Pd\n6 10 2\ndirect\n0.500000 0.500000 0.000000 K\n0.000000 0.000000 0.000000 K\n0.183644 0.683644 0.500000 K\n0.816356 0.316356 0.500000 K\n0.683644 0.816356 0.500000 K\n0.316356 0.183644 0.500000 K\n0.114986 0.385014 0.200753 H\n0.885014 0.614986 0.200753 H\n0.614986 0.114986 0.200753 H\n0.385014 0.885014 0.200753 H\n0.885014 0.614986 0.799247 H\n0.614986 0.114986 0.799247 H\n0.385014 0.885014 0.799247 H\n0.500000 0.000000 0.000000 H\n0.000000 0.000000 0.500000 H\n0.500000 0.500000 0.500000 H\n0.114986 0.385014 0.799247 Pd\n0.000000 0.500000 0.000000 Pd\n",
"nsites": 18,
"nelements": 3,
"elements": [
"K",
"H",
"Pd"
],
"chemical_system": "H-K-Pd",
"density": 2.4525963086248805,
"density_atomic": 0.058109835530256566,
"volume": 309.7582334513368,
"volume_molar": 10.363376018960505,
"formula_full": "K6 H10 Pd2",
"formula_reduced": "K3H5Pd",
"formula_anonymous": "AB3C5",
"energy_above_hull": 1.5071833000000003,
"spacegroup": 8
},
{
"id": "jvasp-12373",
"created_at": "2022-09-04T14:38:13.413242Z",
"updated_at": "2022-09-04T14:38:13.413269Z",
"structure_string": "Cr4 Co2 S8\n1.0\n5.979248 -0.000000 3.452121\n1.993083 5.637290 3.452121\n-0.000000 -0.000000 6.904241\nCr Co S\n4 2 8\ndirect\n0.500000 0.500000 -0.000000 Cr\n-0.000000 0.500000 0.500000 Cr\n0.500000 0.000000 0.500000 Cr\n0.500000 0.500000 0.500000 Cr\n0.125000 0.125000 0.125000 Co\n0.875000 0.875000 0.875000 Co\n0.732788 0.255737 0.255737 S\n0.267212 0.744263 0.744263 S\n0.744262 0.744263 0.744263 S\n0.255737 0.255737 0.732788 S\n0.744263 0.267212 0.744262 S\n0.255737 0.732788 0.255737 S\n0.744262 0.744263 0.267212 S\n0.255737 0.255737 0.255737 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Cr",
"Co",
"S"
],
"chemical_system": "Co-Cr-S",
"density": 4.155428318448156,
"density_atomic": 0.06015824379620072,
"volume": 232.71955955742456,
"volume_molar": 10.0104996090001,
"formula_full": "Cr4 Co2 S8",
"formula_reduced": "Cr2CoS4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 3.234917957142857,
"spacegroup": 227
},
{
"id": "jvasp-44781",
"created_at": "2022-09-04T14:38:13.412654Z",
"updated_at": "2022-09-04T14:38:13.412680Z",
"structure_string": "Fe8 O2 F14\n1.0\n-4.894796 4.894796 6.145252\n-0.058838 4.843252 -3.079858\n-4.843252 0.058838 -3.079858\nFe O F\n8 2 14\ndirect\n0.614927 0.880761 0.890428 Fe\n0.885074 0.619240 0.609573 Fe\n0.500000 0.525149 0.474852 Fe\n0.250000 0.750000 0.750000 Fe\n0.750000 0.250000 0.250000 Fe\n0.114927 0.390427 0.380761 Fe\n0.385073 0.109573 0.119239 Fe\n-0.000000 0.974851 0.025149 Fe\n0.500000 0.800574 0.199427 O\n-0.000000 0.699426 0.300574 O\n0.246243 0.052768 0.445606 F\n0.771328 0.038067 0.013214 F\n0.525568 0.274412 0.267196 F\n0.025567 0.767196 0.774412 F\n0.271328 0.513214 0.538066 F\n0.974433 0.225588 0.232804 F\n0.500000 0.222782 0.777219 F\n0.474432 0.732804 0.725588 F\n0.228672 0.986786 0.961934 F\n0.746243 0.945606 0.552768 F\n-0.000000 0.277219 0.722781 F\n0.753757 0.554395 0.947233 F\n0.728672 0.461934 0.486787 F\n0.253757 0.447233 0.054395 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-O",
"density": 4.288296294830474,
"density_atomic": 0.08322318295755855,
"volume": 288.38118354881135,
"volume_molar": 7.236133666109743,
"formula_full": "Fe8 O2 F14",
"formula_reduced": "Fe4OF7",
"formula_anonymous": "AB4C7",
"energy_above_hull": 1.3723697897916662,
"spacegroup": 15
}
]
}