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=-nelements&page=241",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nelements&page=239",
"results": [
{
"id": "jvasp-48649",
"created_at": "2022-09-04T14:35:54.809027Z",
"updated_at": "2022-09-04T14:35:54.809047Z",
"structure_string": "Mn2 Fe2 P4 O16\n1.0\n4.811568 0.000000 0.000000\n0.000000 5.875003 0.000000\n0.000000 0.000000 9.780803\nMn Fe P O\n2 2 4 16\ndirect\n0.576993 0.000000 0.531529 Mn\n0.076992 0.500000 0.468471 Mn\n0.940272 0.000000 0.024215 Fe\n0.440272 0.500000 0.975784 Fe\n0.607378 0.500000 0.654963 P\n0.107377 0.000000 0.345036 P\n0.890656 0.500000 0.159437 P\n0.390656 0.000000 0.840563 P\n0.242173 0.794311 0.911981 O\n0.242173 0.205688 0.911981 O\n0.742173 0.294311 0.088019 O\n0.742173 0.705688 0.088019 O\n0.202944 0.500000 0.132699 O\n0.156177 0.000000 0.191192 O\n0.838685 0.500000 0.315093 O\n0.755476 0.294221 0.583071 O\n0.255475 0.794220 0.416928 O\n0.255475 0.205779 0.416928 O\n0.702944 0.000000 0.867301 O\n0.755476 0.705779 0.583071 O\n0.291993 0.500000 0.627821 O\n0.338685 0.000000 0.684907 O\n0.791993 0.000000 0.372179 O\n0.656177 0.500000 0.808807 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Mn",
"Fe",
"P",
"O"
],
"chemical_system": "Fe-Mn-O-P",
"density": 3.612272500996788,
"density_atomic": 0.08680445394886321,
"volume": 276.4835087164822,
"volume_molar": 6.937594197122263,
"formula_full": "Mn2 Fe2 P4 O16",
"formula_reduced": "MnFe(PO4)2",
"formula_anonymous": "ABC2D8",
"energy_above_hull": 3.181568478448276,
"spacegroup": 31
},
{
"id": "jvasp-98076",
"created_at": "2022-09-04T14:36:05.216715Z",
"updated_at": "2022-09-04T14:36:05.216749Z",
"structure_string": "Ba8 Ti4 Pt2 O20\n1.0\n5.816645 0.000000 -0.000000\n-2.908323 6.754937 -0.000000\n0.000000 -0.000000 13.187861\nBa Ti Pt O\n8 4 2 20\ndirect\n0.530601 0.061202 0.140670 Ba\n0.765637 0.531271 0.892407 Ba\n0.265636 0.531271 0.607593 Ba\n0.969401 0.938799 0.640670 Ba\n0.030601 0.061202 0.359330 Ba\n0.734365 0.468729 0.392407 Ba\n0.469400 0.938799 0.859330 Ba\n0.234365 0.468729 0.107593 Ba\n0.136802 0.273604 0.844520 Ti\n0.363199 0.726397 0.344520 Ti\n0.863199 0.726397 0.155480 Ti\n0.636802 0.273604 0.655480 Ti\n0.000000 0.000000 0.000000 Pt\n0.500000 0.000000 0.500000 Pt\n0.229585 0.459170 0.347384 O\n0.384511 0.221039 0.537956 O\n0.884511 0.221039 0.962044 O\n0.770416 0.540831 0.652616 O\n0.836529 0.221039 0.537956 O\n0.336528 0.221039 0.962044 O\n0.627504 0.755006 0.250000 O\n0.535535 0.071070 0.347898 O\n0.615490 0.778962 0.462044 O\n0.163473 0.778962 0.462044 O\n0.964466 0.928930 0.847898 O\n0.729586 0.459170 0.152616 O\n0.372498 0.244995 0.750000 O\n0.872498 0.244995 0.750000 O\n0.663473 0.778962 0.037956 O\n0.035535 0.071070 0.152102 O\n0.270416 0.540831 0.847383 O\n0.464466 0.928930 0.652102 O\n0.127503 0.755006 0.250000 O\n0.115490 0.778962 0.037956 O\n",
"nsites": 34,
"nelements": 4,
"elements": [
"Ba",
"Ti",
"Pt",
"O"
],
"chemical_system": "Ba-O-Pt-Ti",
"density": 6.410073104671468,
"density_atomic": 0.06561614236657132,
"volume": 518.1651766428985,
"volume_molar": 9.177834207864114,
"formula_full": "Ba8 Ti4 Pt2 O20",
"formula_reduced": "Ba4Ti2PtO10",
"formula_anonymous": "AB2C4D10",
"energy_above_hull": 2.293079820392157,
"spacegroup": 64
},
{
"id": "jvasp-48488",
"created_at": "2022-09-04T14:35:58.103670Z",
"updated_at": "2022-09-04T14:35:58.103690Z",
"structure_string": "Na2 Ni2 P2 O8\n1.0\n2.655590 4.182965 -0.000000\n-2.655590 4.182965 -0.000000\n0.000000 -0.000000 6.702768\nNa Ni P O\n2 2 2 8\ndirect\n0.312594 0.312594 0.750000 Na\n0.687407 0.687407 0.250000 Na\n0.000000 0.000000 0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n0.337514 0.337514 0.250000 P\n0.662487 0.662487 0.750000 P\n0.209647 0.689332 0.250000 O\n0.310669 0.790354 0.750000 O\n0.232765 0.232765 0.436521 O\n0.767236 0.767236 0.563480 O\n0.232765 0.232765 0.063479 O\n0.767236 0.767236 0.936521 O\n0.790354 0.310669 0.750000 O\n0.689332 0.209647 0.250000 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Na",
"Ni",
"P",
"O"
],
"chemical_system": "Na-Ni-O-P",
"density": 3.939802362922704,
"density_atomic": 0.09401531318031096,
"volume": 148.9119115430648,
"volume_molar": 6.4054892296643215,
"formula_full": "Na2 Ni2 P2 O8",
"formula_reduced": "NaNiPO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.841311557142857,
"spacegroup": 63
},
{
"id": "jvasp-91475",
"created_at": "2022-09-04T14:36:05.896713Z",
"updated_at": "2022-09-04T14:36:05.896732Z",
"structure_string": "K4 P4 O8 F8\n1.0\n6.338510 -0.000000 0.000000\n0.000000 7.542972 0.000000\n0.000000 0.000000 7.643453\nK P O F\n4 4 8 8\ndirect\n0.250000 0.142839 0.137033 K\n0.750000 0.642839 0.362967 K\n0.250000 0.357161 0.637033 K\n0.750000 0.857161 0.862966 K\n0.250000 0.814573 0.610882 P\n0.750000 0.185427 0.389117 P\n0.750000 0.314572 0.889117 P\n0.250000 0.685427 0.110882 P\n0.544532 0.220256 0.888386 O\n0.044532 0.779744 0.111614 O\n0.955468 0.220256 0.888386 O\n0.455468 0.779744 0.111614 O\n0.455468 0.720256 0.611614 O\n0.544532 0.279744 0.388386 O\n0.955468 0.279744 0.388386 O\n0.044532 0.720256 0.611614 O\n0.750000 0.457035 0.043985 F\n0.750000 0.045008 0.233057 F\n0.750000 0.454992 0.733057 F\n0.750000 0.042965 0.543985 F\n0.250000 0.954992 0.766943 F\n0.250000 0.545008 0.266943 F\n0.250000 0.957035 0.456015 F\n0.250000 0.542965 0.956015 F\n",
"nsites": 24,
"nelements": 4,
"elements": [
"K",
"P",
"O",
"F"
],
"chemical_system": "F-K-O-P",
"density": 2.545820113144976,
"density_atomic": 0.06567377290459561,
"volume": 365.4426864566596,
"volume_molar": 9.16978040647729,
"formula_full": "K4 P4 O8 F8",
"formula_reduced": "KP(OF)2",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 0.7839851775000001,
"spacegroup": 62
},
{
"id": "jvasp-85463",
"created_at": "2022-09-04T14:35:55.211690Z",
"updated_at": "2022-09-04T14:35:55.211738Z",
"structure_string": "Os2 C6 I4 O6\n1.0\n6.515309 -0.045673 1.656954\n1.932037 6.222425 1.656954\n0.041577 0.030401 9.641290\nOs C I O\n2 6 4 6\ndirect\n0.429660 0.429660 0.726658 Os\n0.570341 0.570341 0.273341 Os\n0.584545 0.219160 0.865144 C\n0.743516 0.743516 0.278909 C\n0.219160 0.584545 0.865144 C\n0.415456 0.780841 0.134855 C\n0.256485 0.256485 0.721089 C\n0.780840 0.415456 0.134855 C\n0.742031 0.257970 0.499999 I\n0.681026 0.681026 0.736630 I\n0.257970 0.742031 0.499999 I\n0.318975 0.318975 0.263369 I\n0.909711 0.312920 0.056467 O\n0.312920 0.909712 0.056467 O\n0.849480 0.849481 0.275961 O\n0.687081 0.090289 0.943532 O\n0.090289 0.687081 0.943532 O\n0.150521 0.150520 0.724038 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Os",
"C",
"I",
"O"
],
"chemical_system": "C-I-O-Os",
"density": 4.484677395492357,
"density_atomic": 0.0460292341461898,
"volume": 391.0558221071337,
"volume_molar": 13.08329558748155,
"formula_full": "Os2 C6 I4 O6",
"formula_reduced": "OsC3I2O3",
"formula_anonymous": "AB2C3D3",
"energy_above_hull": 3.961775338888888,
"spacegroup": 12
},
{
"id": "jvasp-87241",
"created_at": "2022-09-04T14:35:54.819664Z",
"updated_at": "2022-09-04T14:35:54.819674Z",
"structure_string": "La4 Ga4 Se8 O4\n1.0\n5.975884 0.000000 0.000000\n0.000000 5.981657 0.000000\n0.000000 0.000000 12.333999\nLa Ga Se O\n4 4 8 4\ndirect\n0.754210 0.497416 0.095872 La\n0.254210 0.002584 0.095872 La\n0.254210 0.502584 0.904128 La\n0.754210 0.997417 0.904128 La\n0.658485 0.077206 0.397922 Ga\n0.158485 0.922795 0.602078 Ga\n0.658485 0.577206 0.602078 Ga\n0.158485 0.422795 0.397922 Ga\n0.255319 0.006748 0.781401 Se\n0.755319 0.493252 0.781401 Se\n0.750341 0.979021 0.587373 Se\n0.250342 0.520980 0.587373 Se\n0.250342 0.020980 0.412627 Se\n0.255319 0.506749 0.218599 Se\n0.755319 0.993252 0.218599 Se\n0.750341 0.479020 0.412627 Se\n0.500942 0.749394 0.001407 O\n0.000942 0.250607 0.998593 O\n0.000942 0.750607 0.001407 O\n0.500942 0.249394 0.998593 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"La",
"Ga",
"Se",
"O"
],
"chemical_system": "Ga-La-O-Se",
"density": 5.763247935110381,
"density_atomic": 0.04536306830307027,
"volume": 440.8872844839368,
"volume_molar": 13.275426432282156,
"formula_full": "La4 Ga4 Se8 O4",
"formula_reduced": "LaGaSe2O",
"formula_anonymous": "ABCD2",
"energy_above_hull": 1.0227935116666669,
"spacegroup": 29
},
{
"id": "jvasp-91527",
"created_at": "2022-09-04T14:36:05.695932Z",
"updated_at": "2022-09-04T14:36:05.695957Z",
"structure_string": "Ce2 Ni2 As2 O2\n1.0\n3.989913 -0.000000 -0.000000\n0.000000 3.989913 0.000000\n-0.000000 -0.000000 7.978131\nCe Ni As O\n2 2 2 2\ndirect\n0.749999 0.749999 0.845719 Ce\n0.250000 0.250000 0.154281 Ce\n0.749999 0.250000 0.500000 Ni\n0.250000 0.749999 0.500000 Ni\n0.749999 0.749999 0.341821 As\n0.250000 0.250000 0.658179 As\n0.749999 0.250000 0.000000 O\n0.250000 0.749999 0.000000 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Ce",
"Ni",
"As",
"O"
],
"chemical_system": "As-Ce-Ni-O",
"density": 7.576090328014963,
"density_atomic": 0.06298860234417576,
"volume": 127.00710449625842,
"volume_molar": 9.560683259956214,
"formula_full": "Ce2 Ni2 As2 O2",
"formula_reduced": "CeNiAsO",
"formula_anonymous": "ABCD",
"energy_above_hull": 1.4878857875,
"spacegroup": 129
},
{
"id": "jvasp-97907",
"created_at": "2022-09-04T14:36:05.797168Z",
"updated_at": "2022-09-04T14:36:05.797193Z",
"structure_string": "Rh8 C16 I8 O16\n1.0\n9.216046 0.000000 -0.891367\n0.000000 9.591067 0.000000\n0.112341 0.000000 11.132634\nRh C I O\n8 16 8 16\ndirect\n0.899884 0.792630 0.690238 Rh\n0.861232 0.438003 0.628616 Rh\n0.399884 0.707370 0.190239 Rh\n0.100117 0.207370 0.309761 Rh\n0.638769 0.938003 0.871383 Rh\n0.600117 0.292630 0.809761 Rh\n0.361231 0.061997 0.128616 Rh\n0.138769 0.561997 0.371384 Rh\n0.493818 0.803658 0.858475 C\n0.928305 0.119402 0.255188 C\n0.645991 0.437663 0.916259 C\n0.730444 0.850464 0.005736 C\n0.571696 0.619403 0.244811 C\n0.145991 0.062337 0.416259 C\n0.506183 0.196343 0.141525 C\n0.071695 0.880598 0.744811 C\n0.428305 0.380598 0.755188 C\n0.354010 0.562337 0.083740 C\n0.854010 0.937663 0.583740 C\n0.269557 0.149536 0.994263 C\n0.769557 0.350464 0.494263 C\n0.993818 0.696343 0.358475 C\n0.230444 0.649536 0.505736 C\n0.006182 0.303658 0.641525 C\n0.163409 0.854347 0.105283 I\n0.836591 0.145654 0.894716 I\n0.489676 0.929293 0.325343 I\n0.336591 0.354346 0.394716 I\n0.989676 0.570708 0.825342 I\n0.010324 0.429293 0.174657 I\n0.510325 0.070708 0.674657 I\n0.663409 0.645654 0.605283 I\n0.820764 0.065023 0.222292 O\n0.834436 0.028701 0.516005 O\n0.288935 0.706166 0.587796 O\n0.595210 0.281270 0.147249 O\n0.679236 0.565023 0.277707 O\n0.711065 0.293834 0.412203 O\n0.904790 0.781270 0.352750 O\n0.211065 0.206166 0.912203 O\n0.788935 0.793834 0.087796 O\n0.165564 0.971299 0.483994 O\n0.404790 0.718730 0.852750 O\n0.334436 0.471299 0.016006 O\n0.665564 0.528701 0.983994 O\n0.179236 0.934977 0.777707 O\n0.095210 0.218730 0.647249 O\n0.320764 0.434977 0.722292 O\n",
"nsites": 48,
"nelements": 4,
"elements": [
"Rh",
"C",
"I",
"O"
],
"chemical_system": "C-I-O-Rh",
"density": 3.854907798321263,
"density_atomic": 0.04873130933589315,
"volume": 984.9930292073129,
"volume_molar": 12.357847228135896,
"formula_full": "Rh8 C16 I8 O16",
"formula_reduced": "RhC2IO2",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 3.5040327124999995,
"spacegroup": 14
},
{
"id": "jvasp-97638",
"created_at": "2022-09-04T14:36:07.788844Z",
"updated_at": "2022-09-04T14:36:07.788870Z",
"structure_string": "Ba6 Er2 Mn4 O18\n1.0\n5.817091 -0.000000 0.000000\n-2.908545 5.037659 0.000000\n0.000000 0.000000 14.240759\nBa Er Mn O\n6 2 4 18\ndirect\n0.333296 0.666593 0.091331 Ba\n0.333356 0.666714 0.397160 Ba\n0.666703 0.333407 0.591331 Ba\n0.000012 0.000023 0.744256 Ba\n-0.000012 -0.000023 0.244256 Ba\n0.666643 0.333286 0.897160 Ba\n0.999965 0.999932 0.994259 Er\n0.000034 0.000068 0.494259 Er\n0.333368 0.666735 0.652523 Mn\n0.666685 0.333372 0.335999 Mn\n0.333314 0.666628 0.835999 Mn\n0.666632 0.333265 0.152523 Mn\n0.643443 0.821792 0.583344 O\n0.178353 0.356705 0.583319 O\n0.356557 0.178209 0.083344 O\n0.178347 0.821792 0.583344 O\n0.477931 0.955863 0.744277 O\n0.643357 0.821628 0.905196 O\n0.821653 0.178209 0.083344 O\n0.821646 0.643295 0.083319 O\n0.821730 0.178372 0.405196 O\n0.477925 0.522085 0.744256 O\n0.178270 0.821628 0.905196 O\n0.356642 0.178372 0.405196 O\n0.955840 0.477915 0.244256 O\n0.522068 0.044137 0.244277 O\n0.178271 0.356542 0.905186 O\n0.821728 0.643458 0.405186 O\n0.044159 0.522085 0.744256 O\n0.522074 0.477915 0.244256 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Ba",
"Er",
"Mn",
"O"
],
"chemical_system": "Ba-Er-Mn-O",
"density": 6.630007794478998,
"density_atomic": 0.07188751867782577,
"volume": 417.3186187500685,
"volume_molar": 8.377171546272292,
"formula_full": "Ba6 Er2 Mn4 O18",
"formula_reduced": "Ba3ErMn2O9",
"formula_anonymous": "AB2C3D9",
"energy_above_hull": 2.365669592850575,
"spacegroup": 194
},
{
"id": "jvasp-105681",
"created_at": "2022-09-04T14:36:07.384303Z",
"updated_at": "2022-09-04T14:36:07.384324Z",
"structure_string": "Rb2 Al1 In1 I6\n1.0\n7.328745 0.000000 4.231253\n2.442915 6.909606 4.231253\n-0.000000 -0.000000 8.462506\nRb Al In I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 In\n0.768082 0.231919 0.231918 I\n0.231919 0.231919 0.768081 I\n0.231918 0.768082 0.768081 I\n0.231918 0.768082 0.231918 I\n0.768082 0.231919 0.768081 I\n0.768081 0.768082 0.231918 I\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Al",
"In",
"I"
],
"chemical_system": "Al-I-In-Rb",
"density": 4.162334522110148,
"density_atomic": 0.023335554001266953,
"volume": 428.5306446745199,
"volume_molar": 25.806718622035035,
"formula_full": "Rb2 Al1 In1 I6",
"formula_reduced": "Rb2AlInI6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-43093",
"created_at": "2022-09-04T14:36:05.742918Z",
"updated_at": "2022-09-04T14:36:05.742948Z",
"structure_string": "Li1 Sb1 Te3 O12\n1.0\n5.046461 0.000560 0.001476\n0.002956 5.339136 0.045252\n0.002725 0.488084 7.338365\nLi Sb Te O\n1 1 3 12\ndirect\n0.000917 0.420811 0.212657 Li\n0.997457 0.002746 0.997869 Sb\n0.497831 0.510071 0.997226 Te\n0.001096 0.001956 0.507453 Te\n0.502331 0.507766 0.505883 Te\n0.308619 0.207264 0.076851 O\n0.184886 0.325652 0.436339 O\n0.823508 0.339864 0.949564 O\n0.356951 0.503959 0.750584 O\n0.638695 0.517366 0.254953 O\n0.819776 0.685629 0.574948 O\n0.143146 0.005263 0.747715 O\n0.665642 0.828961 0.935959 O\n0.872804 0.029992 0.259671 O\n0.685138 0.191890 0.577344 O\n0.184204 0.685367 0.075737 O\n0.317011 0.821043 0.432045 O\n",
"nsites": 17,
"nelements": 4,
"elements": [
"Li",
"Sb",
"Te",
"O"
],
"chemical_system": "Li-O-Sb-Te",
"density": 5.9114921283365165,
"density_atomic": 0.08602737381384308,
"volume": 197.6115188264,
"volume_molar": 7.000261071588063,
"formula_full": "Li1 Sb1 Te3 O12",
"formula_reduced": "LiSb(TeO4)3",
"formula_anonymous": "ABC3D12",
"energy_above_hull": 2.435022435294117,
"spacegroup": 1
},
{
"id": "jvasp-106042",
"created_at": "2022-09-04T14:36:05.674053Z",
"updated_at": "2022-09-04T14:36:05.674081Z",
"structure_string": "Li1 Bi3 I2 O4\n1.0\n7.232201 0.018566 0.000000\n-5.047930 5.179139 0.000000\n0.000000 0.000000 5.631735\nLi Bi I O\n1 3 2 4\ndirect\n0.296681 0.703320 0.500000 Li\n0.839959 0.160042 0.000000 Bi\n0.169964 0.830037 0.000000 Bi\n0.667474 0.332528 0.500000 Bi\n0.008745 0.991255 0.500000 I\n0.502195 0.497806 0.000000 I\n0.506021 -0.001472 0.751575 O\n0.001473 0.493980 0.248426 O\n0.001473 0.493980 0.751575 O\n0.506021 -0.001472 0.248426 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Li",
"Bi",
"I",
"O"
],
"chemical_system": "Bi-I-Li-O",
"density": 7.472888017578366,
"density_atomic": 0.047287292209768364,
"volume": 211.4733056745899,
"volume_molar": 12.735220137548872,
"formula_full": "Li1 Bi3 I2 O4",
"formula_reduced": "LiBi3(IO2)2",
"formula_anonymous": "AB2C3D4",
"energy_above_hull": 1.350994945,
"spacegroup": 38
}
]
}