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=-nsites&page=630",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nsites&page=628",
"results": [
{
"id": "jvasp-23543",
"created_at": "2022-09-04T14:37:35.756138Z",
"updated_at": "2022-09-04T14:37:35.756157Z",
"structure_string": "U4 Co6 Si10\n1.0\n5.243029 0.000000 2.004544\n2.244769 7.212837 1.987676\n0.018307 -0.022911 7.811147\nU Co Si\n4 6 10\ndirect\n0.863506 0.869101 0.403887 U\n0.636494 0.596113 0.130899 U\n0.363506 0.403888 0.869101 U\n0.136494 0.130899 0.596113 U\n0.140275 0.473205 0.246246 Co\n0.250000 -0.000000 -0.000000 Co\n0.640275 0.246246 0.473205 Co\n0.359725 0.753754 0.526795 Co\n0.859726 0.526795 0.753754 Co\n0.750000 -0.000000 -0.000000 Co\n0.101818 0.743368 0.052997 Si\n0.750000 0.500000 0.500000 Si\n0.976830 0.773171 0.773170 Si\n0.476830 0.773171 0.773171 Si\n0.023171 0.226830 0.226830 Si\n0.601818 0.052997 0.743368 Si\n0.398183 0.947004 0.256632 Si\n0.898183 0.256632 0.947003 Si\n0.250000 0.500000 0.500000 Si\n0.523171 0.226830 0.226829 Si\n",
"nsites": 20,
"nelements": 3,
"elements": [
"U",
"Co",
"Si"
],
"chemical_system": "Co-Si-U",
"density": 8.922669802686336,
"density_atomic": 0.06773553005568374,
"volume": 295.26601450610167,
"volume_molar": 8.890667504999731,
"formula_full": "U4 Co6 Si10",
"formula_reduced": "U2Co3Si5",
"formula_anonymous": "A2B3C5",
"energy_above_hull": 4.44008877,
"spacegroup": 72
},
{
"id": "jvasp-46099",
"created_at": "2022-09-04T14:38:02.491789Z",
"updated_at": "2022-09-04T14:38:02.491820Z",
"structure_string": "Mg4 Sn4 O12\n1.0\n5.316359 -0.000000 0.000000\n0.000000 5.437297 0.000000\n0.000000 0.000000 7.816916\nMg Sn O\n4 4 12\ndirect\n0.998066 0.958152 0.750000 Mg\n0.501935 0.458152 0.750000 Mg\n0.498066 0.541848 0.250000 Mg\n0.001935 0.041848 0.250000 Mg\n0.000000 0.500000 0.000000 Sn\n0.000000 0.500000 0.500000 Sn\n0.500000 0.000000 0.500000 Sn\n0.500000 0.000000 0.000000 Sn\n0.830162 0.824719 0.071954 O\n0.669838 0.324719 0.428046 O\n0.669838 0.324719 0.071954 O\n0.635294 0.088538 0.750000 O\n0.364706 0.911462 0.250000 O\n0.169838 0.175281 0.571955 O\n0.330162 0.675282 0.571955 O\n0.169838 0.175281 0.928046 O\n0.830162 0.824719 0.428046 O\n0.135294 0.411462 0.250000 O\n0.330162 0.675282 0.928046 O\n0.864707 0.588538 0.750000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Mg",
"Sn",
"O"
],
"chemical_system": "Mg-O-Sn",
"density": 5.614869513404082,
"density_atomic": 0.08851098921550271,
"volume": 225.9606425966483,
"volume_molar": 6.80383397968534,
"formula_full": "Mg4 Sn4 O12",
"formula_reduced": "MgSnO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.00405625,
"spacegroup": 62
},
{
"id": "jvasp-50037",
"created_at": "2022-09-04T14:37:35.773307Z",
"updated_at": "2022-09-04T14:37:35.773328Z",
"structure_string": "Ba4 Y2 Cl14\n1.0\n8.220531 4.057560 -0.311389\n-8.220531 4.057560 0.311389\n-5.916851 0.000000 8.161308\nBa Y Cl\n4 2 14\ndirect\n0.311084 0.680986 0.730778 Ba\n0.319014 0.688916 0.230777 Ba\n0.680986 0.311084 0.769222 Ba\n0.688916 0.319014 0.269222 Ba\n0.974875 0.974874 0.750000 Y\n0.025126 0.025126 0.250000 Y\n0.931888 0.760500 0.066608 Cl\n0.888811 0.634640 0.454928 Cl\n0.390788 0.390788 0.250000 Cl\n0.239500 0.068112 0.566608 Cl\n0.634640 0.888811 0.045072 Cl\n0.365360 0.111189 0.954928 Cl\n0.111189 0.365360 0.545072 Cl\n0.609212 0.609212 0.750000 Cl\n0.690978 0.069513 0.647570 Cl\n0.068112 0.239500 0.933393 Cl\n0.309022 0.930487 0.352430 Cl\n0.069513 0.690978 0.852430 Cl\n0.760500 0.931888 0.433393 Cl\n0.930487 0.309022 0.147570 Cl\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ba",
"Y",
"Cl"
],
"chemical_system": "Ba-Cl-Y",
"density": 3.8368813544115374,
"density_atomic": 0.03777190508484368,
"volume": 529.4940764855724,
"volume_molar": 15.943439300911612,
"formula_full": "Ba4 Y2 Cl14",
"formula_reduced": "Ba2YCl7",
"formula_anonymous": "AB2C7",
"energy_above_hull": 0.11992558625,
"spacegroup": 15
},
{
"id": "jvasp-45275",
"created_at": "2022-09-04T14:38:02.531463Z",
"updated_at": "2022-09-04T14:38:02.531482Z",
"structure_string": "Tb2 B6 O12\n1.0\n5.357879 0.123916 2.887314\n2.699939 5.783639 1.136087\n-0.046198 -0.058047 6.482696\nTb B O\n2 6 12\ndirect\n0.250000 0.247548 0.752452 Tb\n0.750000 0.752452 0.247548 Tb\n0.619456 0.315289 0.187227 B\n0.880544 0.812773 0.684712 B\n0.750000 0.248424 0.751576 B\n0.119456 0.187227 0.315289 B\n0.250000 0.751576 0.248424 B\n0.380544 0.684711 0.812774 B\n0.695472 0.049389 0.754163 O\n0.065297 0.343949 0.161509 O\n0.434703 0.838492 0.656052 O\n0.499269 0.446715 0.750001 O\n0.000730 0.249999 0.553285 O\n0.500730 0.553285 0.249999 O\n0.999269 0.750001 0.446715 O\n0.304528 0.950612 0.245838 O\n0.195472 0.754163 0.049389 O\n0.565296 0.161509 0.343949 O\n0.804528 0.245838 0.950612 O\n0.934703 0.656052 0.838492 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Tb",
"B",
"O"
],
"chemical_system": "B-O-Tb",
"density": 4.786405599515722,
"density_atomic": 0.10030948945405277,
"volume": 199.38293085581992,
"volume_molar": 6.003560373775474,
"formula_full": "Tb2 B6 O12",
"formula_reduced": "Tb(BO2)3",
"formula_anonymous": "AB3C6",
"energy_above_hull": 3.218020715,
"spacegroup": 72
},
{
"id": "jvasp-20262",
"created_at": "2022-09-04T14:37:36.557566Z",
"updated_at": "2022-09-04T14:37:36.557586Z",
"structure_string": "Ce4 B16\n1.0\n7.175412 0.000000 0.000000\n0.000000 7.175412 -0.000000\n0.000000 0.000000 4.074360\nCe B\n4 16\ndirect\n0.186263 0.686263 0.000000 Ce\n0.686263 0.813737 0.000000 Ce\n0.313737 0.186263 0.000000 Ce\n0.813737 0.313737 0.000000 Ce\n0.176009 0.961400 0.500000 B\n0.038600 0.176009 0.500000 B\n0.411713 0.911713 0.500000 B\n0.911713 0.588286 0.500000 B\n0.088286 0.411713 0.500000 B\n0.588286 0.088286 0.500000 B\n0.500000 0.500000 0.201772 B\n0.500000 0.500000 0.798229 B\n0.823990 0.038600 0.500000 B\n0.000000 0.000000 0.201772 B\n0.461400 0.676009 0.500000 B\n0.538600 0.323991 0.500000 B\n0.676009 0.538600 0.500000 B\n0.323991 0.461400 0.500000 B\n0.000000 0.000000 0.798229 B\n0.961400 0.823990 0.500000 B\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Ce",
"B"
],
"chemical_system": "B-Ce",
"density": 5.80578039376048,
"density_atomic": 0.09534038712084526,
"volume": 209.77468839779016,
"volume_molar": 6.316463507083156,
"formula_full": "Ce4 B16",
"formula_reduced": "CeB4",
"formula_anonymous": "AB4",
"energy_above_hull": 4.152395166666667,
"spacegroup": 127
},
{
"id": "jvasp-36701",
"created_at": "2022-09-04T14:38:02.607307Z",
"updated_at": "2022-09-04T14:38:02.607317Z",
"structure_string": "Ba4 Re4 N12\n1.0\n-3.212899 5.194850 -0.964306\n-6.054291 -5.186659 -0.097502\n-0.027330 0.038923 7.972648\nBa Re N\n4 4 12\ndirect\n0.750000 0.328142 0.671858 Ba\n0.250000 0.098923 0.901077 Ba\n0.250000 0.671858 0.328142 Ba\n0.750000 0.901077 0.098923 Ba\n0.238639 0.203667 0.370217 Re\n0.261360 0.629783 0.796333 Re\n0.738640 0.370217 0.203666 Re\n0.761360 0.796333 0.629783 Re\n0.016273 0.682154 0.640219 N\n0.820544 0.578711 0.144099 N\n0.179455 0.421289 0.855901 N\n0.320544 0.144099 0.578711 N\n0.679388 0.235057 0.018326 N\n0.516273 0.640219 0.682154 N\n0.820611 0.981674 0.764943 N\n0.483727 0.359781 0.317846 N\n0.983727 0.317847 0.359781 N\n0.320611 0.764944 0.981674 N\n0.679455 0.855901 0.421289 N\n0.179388 0.018326 0.235056 N\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ba",
"Re",
"N"
],
"chemical_system": "Ba-N-Re",
"density": 6.323548629267384,
"density_atomic": 0.052087091844016144,
"volume": 383.9722912519954,
"volume_molar": 11.561675929296163,
"formula_full": "Ba4 Re4 N12",
"formula_reduced": "BaReN3",
"formula_anonymous": "ABC3",
"energy_above_hull": 4.596794744,
"spacegroup": 15
},
{
"id": "jvasp-35267",
"created_at": "2022-09-04T14:38:03.020727Z",
"updated_at": "2022-09-04T14:38:03.020751Z",
"structure_string": "Na8 Zn4 S8\n1.0\n0.000000 6.853022 0.031372\n7.055452 0.000000 0.000000\n0.000000 -0.529329 -8.799031\nNa Zn S\n8 4 8\ndirect\n0.546607 0.674967 0.678225 Na\n0.953392 0.174967 0.321775 Na\n0.453392 0.325033 0.321775 Na\n0.046607 0.825033 0.678225 Na\n0.512219 0.764262 0.052873 Na\n0.987781 0.264263 0.947127 Na\n0.487781 0.235737 0.947127 Na\n0.012219 0.735737 0.052873 Na\n0.344237 0.903463 0.370420 Zn\n0.155762 0.403463 0.629580 Zn\n0.655762 0.096536 0.629580 Zn\n0.844237 0.596536 0.370420 Zn\n0.302624 0.106654 0.591571 S\n0.197375 0.606654 0.408429 S\n0.697375 0.893346 0.408430 S\n0.802624 0.393346 0.591571 S\n0.246252 0.044452 0.143656 S\n0.253748 0.544452 0.856344 S\n0.753748 0.955547 0.856344 S\n0.746252 0.455547 0.143657 S\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Na",
"Zn",
"S"
],
"chemical_system": "Na-S-Zn",
"density": 2.74100536206762,
"density_atomic": 0.047022725506421684,
"volume": 425.3262605390385,
"volume_molar": 12.806873049452618,
"formula_full": "Na8 Zn4 S8",
"formula_reduced": "Na2ZnS2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.0,
"spacegroup": 14
},
{
"id": "jvasp-23546",
"created_at": "2022-09-04T14:37:34.513575Z",
"updated_at": "2022-09-04T14:37:34.513599Z",
"structure_string": "U4 Rh4 S12\n1.0\n6.047677 0.000000 0.000000\n0.000000 7.108998 0.000000\n0.000000 0.000000 8.391352\nU Rh S\n4 4 12\ndirect\n0.934553 0.371606 0.250000 U\n0.434552 0.128394 0.750000 U\n0.565448 0.871606 0.250000 U\n0.065448 0.628394 0.750000 U\n0.000000 0.000000 0.000000 Rh\n0.000000 0.000000 0.500000 Rh\n0.500000 0.500000 0.500000 Rh\n0.500000 0.500000 0.000000 Rh\n0.658316 0.174290 0.443022 S\n0.158316 0.325710 0.556978 S\n0.828086 0.939053 0.750000 S\n0.328085 0.560947 0.250000 S\n0.671915 0.439053 0.750000 S\n0.158316 0.325710 0.943022 S\n0.341684 0.825710 0.556978 S\n0.658316 0.174290 0.056978 S\n0.841684 0.674290 0.056978 S\n0.341684 0.825710 0.943022 S\n0.171915 0.060947 0.250000 S\n0.841684 0.674290 0.443022 S\n",
"nsites": 20,
"nelements": 3,
"elements": [
"U",
"Rh",
"S"
],
"chemical_system": "Rh-S-U",
"density": 8.048041299336406,
"density_atomic": 0.05543717312871501,
"volume": 360.76875625608915,
"volume_molar": 10.863001159921497,
"formula_full": "U4 Rh4 S12",
"formula_reduced": "URhS3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.8776158,
"spacegroup": 62
},
{
"id": "jvasp-46362",
"created_at": "2022-09-04T14:38:02.712189Z",
"updated_at": "2022-09-04T14:38:02.712218Z",
"structure_string": "Mg4 Co4 O12\n1.0\n0.000000 5.121338 -0.000687\n4.883812 0.000000 0.000000\n0.000000 -0.000933 -7.158146\nMg Co O\n4 4 12\ndirect\n0.928180 0.020004 0.250001 Mg\n0.428180 0.479996 0.250001 Mg\n0.571821 0.520004 0.750000 Mg\n0.071821 0.979996 0.750000 Mg\n0.500000 0.000000 0.000000 Co\n0.500000 0.000000 0.500000 Co\n0.000000 0.500000 0.500000 Co\n0.000000 0.500000 0.000000 Co\n0.808034 0.815035 0.933225 O\n0.308035 0.684964 0.566775 O\n0.308034 0.684965 0.933225 O\n0.053955 0.630204 0.250000 O\n0.946046 0.369796 0.750001 O\n0.191966 0.184964 0.433226 O\n0.691966 0.315036 0.433226 O\n0.191967 0.184965 0.066776 O\n0.808035 0.815036 0.566775 O\n0.446046 0.130204 0.750001 O\n0.691967 0.315035 0.066776 O\n0.553955 0.869795 0.250000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Mg",
"Co",
"O"
],
"chemical_system": "Co-Mg-O",
"density": 4.868783283484784,
"density_atomic": 0.11170871568520643,
"volume": 179.03705970767504,
"volume_molar": 5.390931874080718,
"formula_full": "Mg4 Co4 O12",
"formula_reduced": "MgCoO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.6989480899999998,
"spacegroup": 62
},
{
"id": "jvasp-45274",
"created_at": "2022-09-04T14:38:02.766380Z",
"updated_at": "2022-09-04T14:38:02.766401Z",
"structure_string": "Yb1 Al3 B4 O12\n1.0\n5.727690 0.015140 -1.459286\n-1.881220 5.409960 -1.459286\n0.010734 0.015140 5.910654\nYb Al B O\n1 3 4 12\ndirect\n0.000000 0.000000 0.000000 Yb\n-0.000000 0.443013 0.556987 Al\n0.556987 0.000000 0.443012 Al\n0.443013 0.556987 -0.000001 Al\n0.941525 0.500000 0.058474 B\n0.500000 0.500000 0.499999 B\n0.058475 0.941525 0.499999 B\n0.499999 0.058475 0.941524 B\n0.500000 0.909508 0.090491 O\n0.090491 0.500000 0.909507 O\n0.909508 0.090492 0.499999 O\n0.029515 0.774940 0.624124 O\n0.774940 0.624125 0.029515 O\n0.225060 0.970484 0.375874 O\n0.375875 0.225060 0.970483 O\n0.970484 0.375875 0.225059 O\n0.500000 0.648101 0.351898 O\n0.351899 0.500000 0.648100 O\n0.648100 0.351899 0.499999 O\n0.624124 0.029516 0.774939 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Yb",
"Al",
"B",
"O"
],
"chemical_system": "Al-B-O-Yb",
"density": 4.4253580627463185,
"density_atomic": 0.10894915192087123,
"volume": 183.5718741025705,
"volume_molar": 5.527478327113391,
"formula_full": "Yb1 Al3 B4 O12",
"formula_reduced": "YbAl3(BO3)4",
"formula_anonymous": "AB3C4D12",
"energy_above_hull": 3.084143571666667,
"spacegroup": 155
},
{
"id": "jvasp-56863",
"created_at": "2022-09-04T14:37:57.582866Z",
"updated_at": "2022-09-04T14:37:57.582874Z",
"structure_string": "Ba4 Li6 Nb2 N8\n1.0\n5.681033 -0.000104 0.000035\n2.840398 5.648501 0.007530\n2.840503 0.322490 9.740222\nBa Li Nb N\n4 6 2 8\ndirect\n0.631607 0.193056 0.611458 Ba\n0.063875 0.693051 0.111458 Ba\n0.368392 0.806945 0.388542 Ba\n0.936123 0.306950 0.888542 Ba\n0.387515 0.249992 0.249991 Li\n0.529412 0.811419 0.043334 Li\n0.884176 0.688575 0.456666 Li\n0.470587 0.188581 0.956666 Li\n0.115823 0.311425 0.543334 Li\n0.612483 0.750009 0.750010 Li\n0.865413 0.249996 0.250001 Nb\n0.134586 0.750004 0.750000 Nb\n0.738157 0.005562 0.338682 N\n0.785900 0.889375 0.887549 N\n0.937159 0.389378 0.387554 N\n0.582416 0.494423 0.161318 N\n0.214099 0.110626 0.112452 N\n0.261842 0.994439 0.661318 N\n0.417582 0.505577 0.838683 N\n0.062840 0.610623 0.612446 N\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ba",
"Li",
"Nb",
"N"
],
"chemical_system": "Ba-Li-N-Nb",
"density": 4.7222570564584565,
"density_atomic": 0.0639906509538636,
"volume": 312.5456563087588,
"volume_molar": 9.410969681089638,
"formula_full": "Ba4 Li6 Nb2 N8",
"formula_reduced": "Ba2Li3NbN4",
"formula_anonymous": "AB2C3D4",
"energy_above_hull": 3.223200434,
"spacegroup": 15
},
{
"id": "jvasp-4621",
"created_at": "2022-09-04T14:37:45.556678Z",
"updated_at": "2022-09-04T14:37:45.556704Z",
"structure_string": "Hg4 Se4 O12\n1.0\n6.083679 -0.000000 0.000000\n0.000000 6.158129 0.000000\n0.000000 0.000000 8.320360\nHg Se O\n4 4 12\ndirect\n0.500000 0.000000 0.000000 Hg\n0.000000 0.500000 0.000000 Hg\n0.000000 0.500000 0.500000 Hg\n0.500000 0.000000 0.500000 Hg\n-0.000211 0.943654 0.250000 Se\n0.499789 0.556347 0.750000 Se\n0.500211 0.443654 0.250000 Se\n0.000211 0.056347 0.750000 Se\n0.238518 0.354957 0.250000 O\n0.738518 0.145043 0.750000 O\n0.120204 0.198807 0.586731 O\n0.620204 0.301193 0.413269 O\n0.379796 0.698808 0.913269 O\n0.620204 0.301193 0.086731 O\n0.879796 0.801193 0.413269 O\n0.379796 0.698808 0.586731 O\n0.761482 0.645044 0.750000 O\n0.120204 0.198807 0.913269 O\n0.879796 0.801193 0.086731 O\n0.261482 0.854957 0.250000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Hg",
"Se",
"O"
],
"chemical_system": "Hg-O-Se",
"density": 6.979545060503618,
"density_atomic": 0.06416124834397013,
"volume": 311.7146333060647,
"volume_molar": 9.385946993604527,
"formula_full": "Hg4 Se4 O12",
"formula_reduced": "HgSeO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.3515876933333333,
"spacegroup": 62
}
]
}