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=-updated_at&page=310",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-updated_at&page=308",
"results": [
{
"id": "jvasp-113211",
"created_at": "2022-09-04T14:38:46.328286Z",
"updated_at": "2022-09-04T14:38:46.328303Z",
"structure_string": "Cr4 O4 F4\n1.0\n4.508060 0.000001 -0.000006\n-0.000006 5.530308 -0.135886\n0.000003 0.005901 5.064837\nCr O F\n4 4 4\ndirect\n0.979595 0.149516 0.273761 Cr\n0.479594 0.350485 0.726238 Cr\n0.520404 0.649515 0.273760 Cr\n0.020404 0.850485 0.726239 Cr\n0.771379 0.888071 0.426801 O\n0.728620 0.388070 0.426802 O\n0.271379 0.611930 0.573197 O\n0.228620 0.111930 0.573198 O\n0.243621 0.887330 0.080036 F\n0.256378 0.387330 0.080037 F\n0.743621 0.612670 0.919963 F\n0.756378 0.112670 0.919963 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Cr",
"O",
"F"
],
"chemical_system": "Cr-F-O",
"density": 4.575947078532703,
"density_atomic": 0.09503078864068427,
"volume": 126.27486493216998,
"volume_molar": 6.3370417589292956,
"formula_full": "Cr4 O4 F4",
"formula_reduced": "CrOF",
"formula_anonymous": "ABC",
"energy_above_hull": 1.2990403941666668,
"spacegroup": 14
},
{
"id": "jvasp-117133",
"created_at": "2022-09-04T14:38:46.328056Z",
"updated_at": "2022-09-04T14:38:46.328074Z",
"structure_string": "Li2 Mn3 Fe1 O8\n1.0\n4.975504 0.035632 2.907328\n1.685363 4.681502 2.907328\n0.050315 0.035632 5.762435\nLi Mn Fe O\n2 3 1 8\ndirect\n0.878782 0.878783 0.878787 Li\n0.503539 0.503539 0.503541 Li\n0.993390 0.501007 0.501010 Mn\n0.501007 0.993390 0.501010 Mn\n0.501007 0.501007 0.993394 Mn\n0.119168 0.119168 0.119168 Fe\n0.738561 0.738562 0.738565 O\n0.748864 0.748864 0.285272 O\n0.748864 0.285270 0.748867 O\n0.285270 0.748864 0.748867 O\n0.728440 0.249018 0.249020 O\n0.249018 0.728440 0.249020 O\n0.249018 0.249018 0.728442 O\n0.255059 0.255059 0.255060 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Fe",
"O"
],
"chemical_system": "Fe-Li-Mn-O",
"density": 4.531233226991242,
"density_atomic": 0.10537651087101237,
"volume": 132.85693257709872,
"volume_molar": 5.714879635150843,
"formula_full": "Li2 Mn3 Fe1 O8",
"formula_reduced": "Li2Mn3FeO8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 3.119149658866995,
"spacegroup": 160
},
{
"id": "jvasp-113052",
"created_at": "2022-09-04T14:38:46.326885Z",
"updated_at": "2022-09-04T14:38:46.326906Z",
"structure_string": "V2 Co6 As2 O16\n1.0\n6.474510 0.092014 -0.018527\n3.744409 5.282722 -0.018527\n-0.035971 -0.018919 8.291667\nV Co As O\n2 6 2 16\ndirect\n0.625846 0.625844 0.883394 V\n0.374155 0.374155 0.116606 V\n0.500001 0.499999 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.884342 0.367828 0.249611 Co\n0.632171 0.115658 0.750389 Co\n0.115659 0.632170 0.750389 Co\n0.367830 0.884341 0.249611 Co\n0.131482 0.131482 0.616269 As\n0.868519 0.868517 0.383731 As\n0.365911 0.879853 0.497666 O\n0.120147 0.634089 0.502334 O\n0.377656 0.857882 0.004574 O\n0.142118 0.622345 0.995425 O\n0.634090 0.120146 0.502334 O\n0.879854 0.365909 0.497666 O\n0.990699 0.990697 0.251139 O\n0.753425 0.753423 0.770383 O\n0.502357 0.502356 0.746793 O\n0.497644 0.497643 0.253206 O\n0.246576 0.246576 0.229616 O\n0.857883 0.377654 0.004574 O\n0.254143 0.254142 0.738226 O\n0.745858 0.745857 0.261773 O\n0.009302 0.009301 0.748861 O\n0.622346 0.142117 0.995425 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"V",
"Co",
"As",
"O"
],
"chemical_system": "As-Co-O-V",
"density": 5.094584649937963,
"density_atomic": 0.09261271891525559,
"volume": 280.738977372979,
"volume_molar": 6.502498609840517,
"formula_full": "V2 Co6 As2 O16",
"formula_reduced": "VCo3AsO8",
"formula_anonymous": "ABC3D8",
"energy_above_hull": 3.275220511538462,
"spacegroup": 12
},
{
"id": "jvasp-112994",
"created_at": "2022-09-04T14:38:46.325822Z",
"updated_at": "2022-09-04T14:38:46.325853Z",
"structure_string": "Y1 Ga3 B4 O12\n1.0\n5.854249 -0.003680 -1.472780\n-1.888335 5.541339 -1.472780\n-0.002636 -0.003680 6.036664\nY Ga B O\n1 3 4 12\ndirect\n0.500000 0.500000 0.500000 Y\n0.050126 0.949874 0.500000 Ga\n0.949875 0.500000 0.050126 Ga\n0.499999 0.050126 0.949873 Ga\n0.447357 0.552644 0.000000 B\n0.552643 0.000000 0.447356 B\n-0.000000 0.447356 0.552643 B\n0.000000 0.000000 0.000000 B\n0.592368 0.407633 0.000000 O\n0.000001 0.854706 0.145294 O\n0.145294 0.000000 0.854705 O\n0.854706 0.145294 0.000000 O\n0.867376 0.471411 0.708345 O\n0.528589 0.132624 0.291654 O\n0.132624 0.291654 0.528589 O\n0.708346 0.867376 0.471411 O\n0.407632 0.000000 0.592367 O\n0.291655 0.528589 0.132624 O\n0.471411 0.708346 0.867375 O\n0.000000 0.592368 0.407632 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Y",
"Ga",
"B",
"O"
],
"chemical_system": "B-Ga-O-Y",
"density": 4.5246099960549735,
"density_atomic": 0.1021835479864817,
"volume": 195.7262239773264,
"volume_molar": 5.893454356073733,
"formula_full": "Y1 Ga3 B4 O12",
"formula_reduced": "YGa3(BO3)4",
"formula_anonymous": "AB3C4D12",
"energy_above_hull": 2.933286237916667,
"spacegroup": 155
},
{
"id": "jvasp-115385",
"created_at": "2022-09-04T14:38:46.324861Z",
"updated_at": "2022-09-04T14:38:46.324888Z",
"structure_string": "Pb1 S2\n1.0\n8.530963 0.000000 -0.177474\n0.000000 3.735045 0.000000\n-0.147343 0.000000 7.037321\nPb S\n1 2\ndirect\n0.611847 0.000000 -0.016500 Pb\n-0.212938 0.000000 -0.232463 S\n0.001090 0.000000 0.648963 S\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Pb",
"S"
],
"chemical_system": "Pb-S",
"density": 2.0101795995707934,
"density_atomic": 0.01338471732467385,
"volume": 224.13622396564898,
"volume_molar": 44.992663004534116,
"formula_full": "Pb1 S2",
"formula_reduced": "PbS2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.6170802733333336,
"spacegroup": 6
},
{
"id": "jvasp-120576",
"created_at": "2022-09-04T14:38:46.320987Z",
"updated_at": "2022-09-04T14:38:46.321008Z",
"structure_string": "Cd2 Te2 Mo2 O12\n1.0\n5.314162 -0.000000 0.000000\n0.000000 5.314162 0.000000\n-0.000000 -0.000000 9.079614\nCd Te Mo O\n2 2 2 12\ndirect\n0.000000 0.000000 0.500000 Cd\n0.500000 0.500000 0.500000 Cd\n0.500000 0.000000 0.763764 Te\n-0.000000 0.500000 0.236235 Te\n0.500000 0.000000 0.182863 Mo\n-0.000000 0.500000 0.817136 Mo\n0.818459 0.681540 0.933472 O\n0.305396 0.194604 0.626721 O\n0.283322 0.216677 0.284282 O\n0.694604 0.805396 0.626721 O\n0.216677 0.716677 0.715717 O\n0.194604 0.694604 0.373278 O\n0.805396 0.305396 0.373278 O\n0.181540 0.318460 0.933472 O\n0.318460 0.818459 0.066528 O\n0.681540 0.181540 0.066528 O\n0.783322 0.283322 0.715717 O\n0.716677 0.783322 0.284282 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Cd",
"Te",
"Mo",
"O"
],
"chemical_system": "Cd-Mo-O-Te",
"density": 5.594650902324367,
"density_atomic": 0.07019974590343954,
"volume": 256.41118451851924,
"volume_molar": 8.578579142271419,
"formula_full": "Cd2 Te2 Mo2 O12",
"formula_reduced": "CdTeMoO6",
"formula_anonymous": "ABCD6",
"energy_above_hull": 2.374029379629629,
"spacegroup": 113
},
{
"id": "jvasp-116924",
"created_at": "2022-09-04T14:38:46.317135Z",
"updated_at": "2022-09-04T14:38:46.317164Z",
"structure_string": "Ba4 Y2 In2 Te10\n1.0\n10.427337 -0.091940 0.000000\n-9.385796 4.543637 0.000000\n-0.000000 -0.000000 14.251698\nBa Y In Te\n4 2 2 10\ndirect\n0.131264 0.868737 0.815910 Ba\n0.868736 0.131264 0.315910 Ba\n0.119400 0.880601 0.182881 Ba\n0.880601 0.119399 0.682881 Ba\n0.208986 0.791015 0.517575 Y\n0.791015 0.208986 0.017575 Y\n0.445489 0.554511 0.934663 In\n0.554511 0.445489 0.434663 In\n0.494931 0.505069 0.260175 Te\n0.505069 0.494931 0.760175 Te\n0.690211 0.309790 0.364750 Te\n0.309790 0.690211 0.864750 Te\n0.356125 0.643875 0.501479 Te\n0.292050 0.707951 0.160773 Te\n0.643875 0.356125 0.001479 Te\n0.049415 0.950586 0.554316 Te\n0.707950 0.292050 0.660773 Te\n0.950585 0.049415 0.054316 Te\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Ba",
"Y",
"In",
"Te"
],
"chemical_system": "Ba-In-Te-Y",
"density": 5.592805238570947,
"density_atomic": 0.027152629695600866,
"volume": 662.9192163629098,
"volume_molar": 22.178849074701873,
"formula_full": "Ba4 Y2 In2 Te10",
"formula_reduced": "Ba2YInTe5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 0.6988773548148148,
"spacegroup": 36
},
{
"id": "jvasp-117128",
"created_at": "2022-09-04T14:38:46.311535Z",
"updated_at": "2022-09-04T14:38:46.311555Z",
"structure_string": "Li7 Mn4 Co1 O12\n1.0\n4.744310 -0.020120 -1.605130\n-0.355502 5.571451 -1.053197\n-0.008434 -0.016689 7.512637\nLi Mn Co O\n7 4 1 12\ndirect\n0.489652 0.248967 0.991847 Li\n0.508976 0.580757 0.335625 Li\n0.493450 0.748936 0.997815 Li\n0.516322 0.091269 0.345391 Li\n0.500170 0.930416 0.667512 Li\n0.492625 0.401631 0.663580 Li\n-0.000244 0.167977 0.664315 Li\n0.999480 0.002137 -0.004021 Mn\n0.995631 0.664320 0.666012 Mn\n-0.001972 0.495744 0.994178 Mn\n0.004362 0.838139 0.341332 Mn\n0.002513 0.332458 0.336165 Co\n0.227412 0.946886 0.835479 O\n0.221901 0.289830 0.157244 O\n0.229169 0.470052 0.835224 O\n0.220917 0.788185 0.159927 O\n0.223520 0.624051 0.495713 O\n0.232423 0.116180 0.483160 O\n0.782076 0.546251 0.172656 O\n0.770877 0.863960 0.497844 O\n0.781414 0.041643 0.174541 O\n0.773620 0.389335 0.502088 O\n0.765383 0.211354 0.849309 O\n0.770338 0.709518 0.837071 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.347012156105131,
"density_atomic": 0.1209939908573743,
"volume": 198.35695830787827,
"volume_molar": 4.977223015231227,
"formula_full": "Li7 Mn4 Co1 O12",
"formula_reduced": "Li7Mn4CoO12",
"formula_anonymous": "AB4C7D12",
"energy_above_hull": 2.785286744396552,
"spacegroup": 1
},
{
"id": "jvasp-104881",
"created_at": "2022-09-04T14:38:46.305420Z",
"updated_at": "2022-09-04T14:38:46.305453Z",
"structure_string": "Y2 Pu6\n1.0\n6.824153 0.000000 0.000000\n-3.412077 5.909890 0.000000\n-0.000000 -0.000000 5.477703\nY Pu\n2 6\ndirect\n0.333333 0.666667 0.750000 Y\n0.666666 0.333333 0.250000 Y\n0.162991 0.325984 0.250000 Pu\n0.674015 0.837009 0.250000 Pu\n0.162991 0.837009 0.250000 Pu\n0.837008 0.674016 0.750000 Pu\n0.325984 0.162991 0.750000 Pu\n0.837008 0.162991 0.750000 Pu\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Y",
"Pu"
],
"chemical_system": "Pu-Y",
"density": 12.340870917239801,
"density_atomic": 0.03621290397201641,
"volume": 220.91572678573402,
"volume_molar": 16.62982003501741,
"formula_full": "Y2 Pu6",
"formula_reduced": "YPu3",
"formula_anonymous": "AB3",
"energy_above_hull": 6.6955888625,
"spacegroup": 194
},
{
"id": "jvasp-113073",
"created_at": "2022-09-04T14:38:46.303649Z",
"updated_at": "2022-09-04T14:38:46.303680Z",
"structure_string": "Na3 Pr3 F12\n1.0\n5.546409 -0.001541 2.613346\n1.842028 6.113416 3.261579\n-0.002577 -0.022819 7.180259\nNa Pr F\n3 3 12\ndirect\n0.667540 0.475081 0.173899 Na\n0.662485 0.997809 0.688640 Na\n0.330248 0.424342 0.912125 Na\n0.003161 0.993682 0.002904 Pr\n0.997238 0.493343 0.510035 Pr\n0.335757 0.916517 0.413382 Pr\n0.593554 0.164715 0.202884 F\n0.588986 0.704543 0.668053 F\n0.369677 0.535022 0.505574 F\n0.372315 0.001612 0.034418 F\n0.750973 0.237958 0.751089 F\n0.982670 0.376963 0.889908 F\n0.971746 0.882959 0.390478 F\n0.043427 0.812493 0.775296 F\n0.279055 0.124569 0.629907 F\n0.261186 0.618425 0.133899 F\n0.755670 0.727737 0.236232 F\n0.034306 0.274235 0.319280 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Na",
"Pr",
"F"
],
"chemical_system": "F-Na-Pr",
"density": 4.9011576732114595,
"density_atomic": 0.07382217121494676,
"volume": 243.82918713660843,
"volume_molar": 8.157631590739095,
"formula_full": "Na3 Pr3 F12",
"formula_reduced": "NaPrF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 1
},
{
"id": "jvasp-110895",
"created_at": "2022-09-04T14:38:46.297753Z",
"updated_at": "2022-09-04T14:38:46.297777Z",
"structure_string": "Sn4 Se4\n1.0\n3.047213 0.000000 0.000000\n0.000000 5.911054 0.000000\n-0.000000 0.000000 12.265604\nSn Se\n4 4\ndirect\n0.999834 0.500000 0.366913 Sn\n0.999834 0.500000 0.633086 Sn\n0.000165 -0.000000 0.866913 Sn\n0.000165 -0.000000 0.133087 Sn\n-0.000373 0.500000 0.142454 Se\n-0.000373 0.500000 0.857545 Se\n0.000373 -0.000000 0.642454 Se\n0.000373 -0.000000 0.357546 Se\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Sn",
"Se"
],
"chemical_system": "Se-Sn",
"density": 5.9428281599402615,
"density_atomic": 0.03621039885062964,
"volume": 220.9310102603549,
"volume_molar": 16.630970525460768,
"formula_full": "Sn4 Se4",
"formula_reduced": "SnSe",
"formula_anonymous": "AB",
"energy_above_hull": 0.4940075333333333,
"spacegroup": 65
},
{
"id": "jvasp-112187",
"created_at": "2022-09-04T14:38:46.296194Z",
"updated_at": "2022-09-04T14:38:46.296209Z",
"structure_string": "Sn2 H8 C4 Cl4\n1.0\n4.601788 -0.150949 -0.499597\n-2.044066 5.786708 -0.740957\n0.241452 -0.161513 9.417979\nSn H C Cl\n2 8 4 4\ndirect\n0.645061 0.775087 0.731977 Sn\n0.367439 0.264272 0.222201 Sn\n0.182199 0.330599 0.481020 H\n0.240376 0.900818 0.010743 H\n0.772173 0.138580 0.943414 H\n0.830293 0.708751 0.473156 H\n0.764321 0.449106 0.551677 H\n0.322580 0.167030 0.937012 H\n0.689961 0.872384 0.017163 H\n0.248174 0.590246 0.402499 H\n0.348353 0.464791 0.433822 C\n0.664140 0.574558 0.520354 C\n0.174289 0.052204 0.001247 C\n0.838251 -0.012809 0.952917 C\n0.844929 0.532264 0.150715 Cl\n0.637633 0.013725 0.303956 Cl\n0.374871 0.025634 0.650220 Cl\n0.167583 0.507119 0.803484 Cl\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Sn",
"H",
"C",
"Cl"
],
"chemical_system": "C-Cl-H-Sn",
"density": 2.9161183513067073,
"density_atomic": 0.07261087271807926,
"volume": 247.89675879378612,
"volume_molar": 8.293717641133043,
"formula_full": "Sn2 H8 C4 Cl4",
"formula_reduced": "SnH4(CCl)2",
"formula_anonymous": "AB2C2D4",
"energy_above_hull": 2.9846255372222226,
"spacegroup": 2
}
]
}