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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=1560",
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"results": [
{
"id": "jvasp-57534",
"created_at": "2022-09-04T14:38:33.389366Z",
"updated_at": "2022-09-04T14:38:33.389389Z",
"structure_string": "Rb6 Cr2 F14\n1.0\n8.014313 0.000000 -0.000000\n-0.000000 8.014313 -0.000000\n0.000000 0.000000 5.922036\nRb Cr F\n6 2 14\ndirect\n0.188474 0.688474 0.500000 Rb\n0.688474 0.811526 0.500000 Rb\n0.311526 0.188474 0.500000 Rb\n0.811526 0.311526 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Rb\n0.000000 0.500000 0.000000 Cr\n0.500000 0.000000 0.000000 Cr\n0.337213 0.162787 0.000000 F\n0.837212 0.337213 0.000000 F\n0.500000 0.500000 0.500000 F\n0.000000 0.000000 0.500000 F\n0.613354 0.113354 0.223523 F\n0.113354 0.386646 0.223523 F\n0.113354 0.386646 0.776477 F\n0.386646 0.886646 0.223523 F\n0.886646 0.613354 0.776477 F\n0.662787 0.837212 0.000000 F\n0.613354 0.113354 0.776477 F\n0.386646 0.886646 0.776477 F\n0.886646 0.613354 0.223523 F\n0.162787 0.662787 0.000000 F\n",
"nsites": 22,
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"elements": [
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"density": 3.8538631541866835,
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"formula_full": "Rb6 Cr2 F14",
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{
"id": "jvasp-26524",
"created_at": "2022-09-04T14:37:41.971000Z",
"updated_at": "2022-09-04T14:37:41.971030Z",
"structure_string": "Rb1 Cr1 F6\n1.0\n4.918895 -0.005066 -0.617318\n-0.699009 4.868978 -0.617317\n-0.004395 -0.005066 4.957478\nRb Cr F\n1 1 6\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500001 0.499999 0.500000 Cr\n0.197359 0.303818 0.576878 F\n0.303819 0.576878 0.197358 F\n0.423123 0.802641 0.696181 F\n0.696183 0.423121 0.802641 F\n0.802642 0.696181 0.423121 F\n0.576879 0.197358 0.303818 F\n",
"nsites": 8,
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"elements": [
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],
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"density": 3.518187009120293,
"density_atomic": 0.06740633436292978,
"volume": 118.68320797458485,
"volume_molar": 8.934087303391305,
"formula_full": "Rb1 Cr1 F6",
"formula_reduced": "RbCrF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.1775136628124994,
"spacegroup": 148
},
{
"id": "jvasp-119308",
"created_at": "2022-09-04T14:38:48.969976Z",
"updated_at": "2022-09-04T14:38:48.970007Z",
"structure_string": "Rb4 Cr4 F20\n1.0\n5.540606 -0.000000 0.000000\n0.000000 7.796612 0.000000\n-0.000000 -0.000000 9.658230\nRb Cr F\n4 4 20\ndirect\n0.500000 0.877476 0.970335 Rb\n0.500000 0.122523 0.470335 Rb\n-0.000000 0.351395 0.153157 Rb\n-0.000000 0.648605 0.653157 Rb\n-0.000000 0.862698 0.229530 Cr\n0.500000 0.577519 0.344853 Cr\n0.500000 0.422481 0.844853 Cr\n-0.000000 0.137302 0.729530 Cr\n0.735378 0.471317 0.439945 F\n0.252798 0.685446 0.228456 F\n-0.000000 0.850455 0.414171 F\n0.264623 0.471317 0.439945 F\n0.252798 0.314554 0.728456 F\n-0.000000 0.149545 0.914171 F\n0.500000 0.403849 0.219530 F\n-0.000000 0.165260 0.544150 F\n0.766929 0.024790 0.222958 F\n0.766929 0.975209 0.722958 F\n0.233072 0.975209 0.722958 F\n0.500000 0.596151 0.719530 F\n0.500000 0.763640 0.453064 F\n0.500000 0.236360 0.953064 F\n0.747203 0.314554 0.728456 F\n0.233072 0.024790 0.222958 F\n0.747203 0.685446 0.228456 F\n0.264623 0.528683 0.939945 F\n-0.000000 0.834740 0.044150 F\n0.735378 0.528683 0.939945 F\n",
"nsites": 28,
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"elements": [
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"Cr",
"F"
],
"chemical_system": "Cr-F-Rb",
"density": 3.700743276790222,
"density_atomic": 0.0671115544162328,
"volume": 417.21578711083197,
"volume_molar": 8.973329275984371,
"formula_full": "Rb4 Cr4 F20",
"formula_reduced": "RbCrF5",
"formula_anonymous": "ABC5",
"energy_above_hull": 0.1902870028571429,
"spacegroup": 26
},
{
"id": "jvasp-54814",
"created_at": "2022-09-04T14:37:17.628407Z",
"updated_at": "2022-09-04T14:37:17.628425Z",
"structure_string": "Rb2 Cr1 Cl4\n1.0\n4.749851 0.000000 -1.476093\n-0.458720 4.727649 -1.476093\n0.106015 0.116799 8.721349\nRb Cr Cl\n2 1 4\ndirect\n0.641494 0.641494 0.282989 Rb\n0.358507 0.358507 0.717013 Rb\n0.000000 0.000000 0.000000 Cr\n0.154836 0.154836 0.309672 Cl\n0.845165 0.845164 0.690329 Cl\n0.500000 -0.000000 0.000000 Cl\n0.000000 0.500000 0.000000 Cl\n",
"nsites": 7,
"nelements": 3,
"elements": [
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"Cr",
"Cl"
],
"chemical_system": "Cl-Cr-Rb",
"density": 3.066981660650859,
"density_atomic": 0.035446415366770026,
"volume": 197.48118187889585,
"volume_molar": 16.98942106751246,
"formula_full": "Rb2 Cr1 Cl4",
"formula_reduced": "Rb2CrCl4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.3043462385714289,
"spacegroup": 139
},
{
"id": "jvasp-18367",
"created_at": "2022-09-04T14:38:13.668878Z",
"updated_at": "2022-09-04T14:38:13.668903Z",
"structure_string": "Rb2 Cr1 Cl4\n1.0\n4.705873 0.000000 -1.458901\n-0.452284 4.684088 -1.458901\n-0.057135 -0.062917 8.134856\nRb Cr Cl\n2 1 4\ndirect\n0.739390 0.739389 0.478780 Rb\n0.260611 0.260610 0.521221 Rb\n0.000000 0.000000 0.000000 Cr\n0.894272 0.394271 0.788543 Cl\n0.394272 0.894271 0.788543 Cl\n0.105730 0.605729 0.211458 Cl\n0.605729 0.105729 0.211458 Cl\n",
"nsites": 7,
"nelements": 3,
"elements": [
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],
"chemical_system": "Cl-Cr-Rb",
"density": 3.394057444305375,
"density_atomic": 0.039226569722622756,
"volume": 178.4504750096198,
"volume_molar": 15.352198274239898,
"formula_full": "Rb2 Cr1 Cl4",
"formula_reduced": "Rb2CrCl4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.3660662385714288,
"spacegroup": 139
},
{
"id": "jvasp-53081",
"created_at": "2022-09-04T14:38:14.624231Z",
"updated_at": "2022-09-04T14:38:14.624249Z",
"structure_string": "Rb2 Cr1 Cl4\n1.0\n4.669425 -0.090566 -1.711367\n-0.537621 4.639256 -1.711367\n0.546785 0.601954 8.683030\nRb Cr Cl\n2 1 4\ndirect\n0.641415 0.641415 0.282987 Rb\n0.358585 0.358584 0.717012 Rb\n0.000000 0.000000 0.000000 Cr\n0.499999 -0.000000 -0.000000 Cl\n0.845264 0.845263 0.690319 Cl\n0.000000 0.500000 -0.000000 Cl\n0.154736 0.154736 0.309681 Cl\n",
"nsites": 7,
"nelements": 3,
"elements": [
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"Cr",
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],
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"density": 3.067236520462114,
"density_atomic": 0.03544936089032693,
"volume": 197.4647729660506,
"volume_molar": 16.988009399185703,
"formula_full": "Rb2 Cr1 Cl4",
"formula_reduced": "Rb2CrCl4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.3043448100000003,
"spacegroup": 139
},
{
"id": "jvasp-86770",
"created_at": "2022-09-04T14:35:42.240094Z",
"updated_at": "2022-09-04T14:35:42.240116Z",
"structure_string": "Rb2 Cr2 Cl6\n1.0\n6.164271 0.022637 -0.272324\n-0.174876 6.004170 -3.459366\n0.043422 0.013045 6.965051\nRb Cr Cl\n2 2 6\ndirect\n0.756708 0.333368 0.666735 Rb\n0.243290 0.666633 0.333265 Rb\n0.500000 0.000000 0.000000 Cr\n0.000000 0.000000 0.000000 Cr\n0.224662 0.675588 0.838271 Cl\n0.224663 0.162684 0.838271 Cl\n0.303492 0.166964 0.333927 Cl\n0.775337 0.324413 0.161729 Cl\n0.775336 0.837317 0.161729 Cl\n0.696507 0.833038 0.666073 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
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"Cr",
"Cl"
],
"chemical_system": "Cl-Cr-Rb",
"density": 3.136642391497426,
"density_atomic": 0.038735701203431394,
"volume": 258.1597773971406,
"volume_molar": 15.54674518055847,
"formula_full": "Rb2 Cr2 Cl6",
"formula_reduced": "RbCrCl3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.5972019204999998,
"spacegroup": 12
},
{
"id": "jvasp-14206",
"created_at": "2022-09-04T14:35:44.302787Z",
"updated_at": "2022-09-04T14:35:44.302807Z",
"structure_string": "Rb2 Cr1 Cl4\n1.0\n4.705873 0.000000 -1.458901\n-0.452284 4.684088 -1.458901\n-0.057135 -0.062917 8.134856\nRb Cr Cl\n2 1 4\ndirect\n0.739390 0.739389 0.478780 Rb\n0.260611 0.260610 0.521221 Rb\n0.000000 0.000000 0.000000 Cr\n0.894272 0.394271 0.788543 Cl\n0.394272 0.894271 0.788543 Cl\n0.105730 0.605729 0.211458 Cl\n0.605729 0.105729 0.211458 Cl\n",
"nsites": 7,
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"elements": [
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],
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"density": 3.394057444305375,
"density_atomic": 0.039226569722622756,
"volume": 178.4504750096198,
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"formula_full": "Rb2 Cr1 Cl4",
"formula_reduced": "Rb2CrCl4",
"formula_anonymous": "AB2C4",
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"spacegroup": 139
},
{
"id": "jvasp-86168",
"created_at": "2022-09-04T14:36:03.332000Z",
"updated_at": "2022-09-04T14:36:03.332026Z",
"structure_string": "Rb2 Cr2 Cl6\n1.0\n6.164309 0.022613 -0.272367\n-0.174876 6.004180 -3.459372\n0.043373 0.013044 6.965064\nRb Cr Cl\n2 2 6\ndirect\n0.756707 0.333368 0.666736 Rb\n0.243292 0.666631 0.333262 Rb\n0.500000 -0.000000 -0.000000 Cr\n0.000000 0.000000 0.000000 Cr\n0.224657 0.675587 0.838270 Cl\n0.224657 0.162682 0.838269 Cl\n0.303502 0.166963 0.333927 Cl\n0.775342 0.324412 0.161729 Cl\n0.775342 0.837316 0.161729 Cl\n0.696497 0.833036 0.666071 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
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],
"chemical_system": "Cl-Cr-Rb",
"density": 3.136613353191904,
"density_atomic": 0.0387353425973215,
"volume": 258.1621674024251,
"volume_molar": 15.546889110040873,
"formula_full": "Rb2 Cr2 Cl6",
"formula_reduced": "RbCrCl3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.5972019204999998,
"spacegroup": 12
},
{
"id": "jvasp-58411",
"created_at": "2022-09-04T14:37:02.068358Z",
"updated_at": "2022-09-04T14:37:02.068388Z",
"structure_string": "Rb4 Co2 Se4\n1.0\n5.882893 -0.000000 -2.477461\n-1.286548 6.301213 -3.054993\n0.038026 0.015937 8.313681\nRb Co Se\n4 2 4\ndirect\n0.646201 0.813860 0.292404 Rb\n0.353799 0.186140 0.707596 Rb\n0.853798 0.521456 0.707596 Rb\n0.146202 0.478544 0.292404 Rb\n0.750000 0.000000 -0.000000 Co\n0.250000 0.000000 -0.000000 Co\n0.598703 0.277061 0.197406 Se\n0.901297 0.079655 0.802595 Se\n0.098703 0.920345 0.197406 Se\n0.401297 0.722939 0.802595 Se\n",
"nsites": 10,
"nelements": 3,
"elements": [
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],
"chemical_system": "Co-Rb-Se",
"density": 4.166353397064059,
"density_atomic": 0.03235055646939803,
"volume": 309.113693591623,
"volume_molar": 18.61526173652264,
"formula_full": "Rb4 Co2 Se4",
"formula_reduced": "Rb2CoSe2",
"formula_anonymous": "AB2C2",
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"spacegroup": 72
},
{
"id": "jvasp-92419",
"created_at": "2022-09-04T14:35:59.013787Z",
"updated_at": "2022-09-04T14:35:59.013814Z",
"structure_string": "Rb1 Co2 Se2\n1.0\n3.682782 -0.000000 -1.265976\n-0.435186 3.656979 -1.265977\n0.467176 0.526067 7.348712\nRb Co Se\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Rb\n0.250000 0.750001 0.500000 Co\n0.750000 0.250001 0.499999 Co\n0.346835 0.346835 0.693670 Se\n0.653165 0.653166 0.306329 Se\n",
"nsites": 5,
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],
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"volume": 103.8767784898225,
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"formula_full": "Rb1 Co2 Se2",
"formula_reduced": "Rb(CoSe)2",
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"spacegroup": 139
},
{
"id": "jvasp-87107",
"created_at": "2022-09-04T14:38:17.812085Z",
"updated_at": "2022-09-04T14:38:17.812103Z",
"structure_string": "Rb4 Co2 S4\n1.0\n5.572685 0.000000 -2.336900\n-1.259617 6.129590 -3.003745\n0.075452 0.002114 7.992827\nRb Co S\n4 2 4\ndirect\n0.647946 0.809586 0.295893 Rb\n0.352054 0.190413 0.704108 Rb\n0.852054 0.513693 0.704108 Rb\n0.147946 0.486306 0.295893 Rb\n0.250000 -0.000000 0.000000 Co\n0.750001 -0.000000 0.000000 Co\n0.403588 0.727984 0.807178 S\n0.596412 0.272015 0.192823 S\n0.096411 0.920807 0.192823 S\n0.903588 0.079192 0.807178 S\n",
"nsites": 10,
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"elements": [
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],
"chemical_system": "Co-Rb-S",
"density": 3.5616116792504093,
"density_atomic": 0.03647723602458658,
"volume": 274.1435780183495,
"volume_molar": 16.50931215276543,
"formula_full": "Rb4 Co2 S4",
"formula_reduced": "Rb2CoS2",
"formula_anonymous": "AB2C2",
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"spacegroup": 72
}
]
}