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=4334",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nelements&page=4332",
"results": [
{
"id": "jvasp-90630",
"created_at": "2022-09-04T14:37:51.290166Z",
"updated_at": "2022-09-04T14:37:51.290189Z",
"structure_string": "Ca2 Ni2 Ge2 H2\n1.0\n3.984147 -0.000000 -0.000000\n0.000000 3.984147 0.000000\n-0.000000 -0.000000 7.748305\nCa Ni Ge H\n2 2 2 2\ndirect\n0.750001 0.750001 0.848997 Ca\n0.250000 0.250000 0.151003 Ca\n0.750001 0.250000 0.500000 Ni\n0.250000 0.750001 0.500000 Ni\n0.750001 0.750001 0.338279 Ge\n0.250000 0.250000 0.661721 Ge\n0.750001 0.250000 0.000000 H\n0.250000 0.750001 0.000000 H\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Ca",
"Ni",
"Ge",
"H"
],
"chemical_system": "Ca-Ge-H-Ni",
"density": 4.65572860305626,
"density_atomic": 0.06504479833330092,
"volume": 122.99215625216642,
"volume_molar": 9.258450966580755,
"formula_full": "Ca2 Ni2 Ge2 H2",
"formula_reduced": "CaNiGeH",
"formula_anonymous": "ABCD",
"energy_above_hull": 0.8426746924999999,
"spacegroup": 129
},
{
"id": "jvasp-9299",
"created_at": "2022-09-04T14:37:51.675758Z",
"updated_at": "2022-09-04T14:37:51.675774Z",
"structure_string": "Ba1 Ca1 Sb4 O8\n1.0\n3.114223 -5.393991 -0.000000\n3.114223 5.393991 0.000000\n-0.000000 -0.000000 7.328267\nBa Ca Sb O\n1 1 4 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Ca\n0.333333 0.666667 0.725711 Sb\n0.666667 0.333333 0.725711 Sb\n0.333333 0.666667 0.274289 Sb\n0.666667 0.333333 0.274289 Sb\n0.297140 0.297140 0.717991 O\n0.702859 -0.000000 0.717991 O\n-0.000000 0.702859 0.717991 O\n0.702859 0.702859 0.282010 O\n-0.000000 0.297141 0.282010 O\n0.297141 -0.000000 0.282010 O\n0.333333 0.666667 0.000000 O\n0.666667 0.333333 0.000000 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Ba",
"Ca",
"Sb",
"O"
],
"chemical_system": "Ba-Ca-O-Sb",
"density": 5.344713021861515,
"density_atomic": 0.05686392463533426,
"volume": 246.20178944350673,
"volume_molar": 10.590441652804854,
"formula_full": "Ba1 Ca1 Sb4 O8",
"formula_reduced": "BaCa(SbO2)4",
"formula_anonymous": "ABC4D8",
"energy_above_hull": 2.084276342142857,
"spacegroup": 162
},
{
"id": "jvasp-29154",
"created_at": "2022-09-04T14:37:51.241125Z",
"updated_at": "2022-09-04T14:37:51.241150Z",
"structure_string": "Mo2 W2 Se6 S2\n1.0\n3.291125 0.000021 -0.000193\n-1.645545 2.850077 -0.001523\n-0.002020 -0.019539 34.367267\nMo W Se S\n2 2 6 2\ndirect\n0.333422 0.666960 0.094713 Mo\n0.333344 0.666749 0.467109 Mo\n0.666656 0.333259 0.280922 W\n0.666594 0.333078 0.660182 W\n0.333711 0.667222 0.709475 Se\n0.666349 0.332883 0.045699 Se\n0.666195 0.332526 0.418055 Se\n0.667129 0.334064 0.143775 Se\n0.667208 0.334164 0.516173 Se\n0.332761 0.665712 0.610806 Se\n0.333724 0.667327 0.325808 S\n0.332926 0.666061 0.236033 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-W",
"density": 5.653096697561822,
"density_atomic": 0.03722492401954339,
"volume": 322.36466066928443,
"volume_molar": 16.177711355000557,
"formula_full": "Mo2 W2 Se6 S2",
"formula_reduced": "MoWSe3S",
"formula_anonymous": "ABCD3",
"energy_above_hull": 3.591872666666666,
"spacegroup": 156
},
{
"id": "jvasp-12685",
"created_at": "2022-09-04T14:38:01.328940Z",
"updated_at": "2022-09-04T14:38:01.328968Z",
"structure_string": "Co2 H4 Se2 O10\n1.0\n5.109637 -0.039856 -1.590115\n-1.202008 4.966402 -1.590115\n0.003148 0.003970 7.582163\nCo H Se O\n2 4 2 10\ndirect\n0.000000 0.000000 0.500000 Co\n0.500000 0.499999 0.000001 Co\n0.626123 0.034565 0.199466 H\n0.465434 0.873877 0.300535 H\n0.373878 0.965433 0.800535 H\n0.534566 0.126122 0.699466 H\n0.914743 0.585256 0.750001 Se\n0.085257 0.414743 0.250000 Se\n0.191803 0.289421 0.429404 O\n0.814190 0.243119 0.649570 O\n0.743120 0.314188 0.149570 O\n0.185811 0.756880 0.350431 O\n0.381141 0.118859 0.750000 O\n0.618859 0.881140 0.250001 O\n0.789422 0.691802 0.929405 O\n0.808197 0.710578 0.570596 O\n0.210579 0.308197 0.070596 O\n0.256881 0.685811 0.850430 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Co",
"H",
"Se",
"O"
],
"chemical_system": "Co-H-O-Se",
"density": 3.8015893062184243,
"density_atomic": 0.0936960715137256,
"volume": 192.11050910883887,
"volume_molar": 6.427314040714944,
"formula_full": "Co2 H4 Se2 O10",
"formula_reduced": "CoH2SeO5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 2.785523529629629,
"spacegroup": 15
},
{
"id": "jvasp-25631",
"created_at": "2022-09-04T14:37:39.890888Z",
"updated_at": "2022-09-04T14:37:39.890907Z",
"structure_string": "Na4 Nb8 P4 S40\n1.0\n7.454335 -0.000000 -2.360225\n-0.078552 13.033175 -0.248090\n0.017852 -0.065578 13.008063\nNa Nb P S\n4 8 4 40\ndirect\n0.937790 0.886294 0.884681 Na\n0.053110 0.613705 0.115319 Na\n0.946889 0.386294 0.884681 Na\n0.062209 0.113705 0.115319 Na\n0.418709 0.488042 0.716600 Nb\n0.297892 0.988042 0.716600 Nb\n0.572916 0.221259 0.282263 Nb\n0.427084 0.778740 0.717736 Nb\n0.290652 0.278740 0.717736 Nb\n0.702108 0.011957 0.283399 Nb\n0.709347 0.721259 0.282263 Nb\n0.581290 0.511957 0.283399 Nb\n0.205344 0.369290 0.207424 P\n0.002080 0.869290 0.207424 P\n-0.002080 0.130709 0.792576 P\n0.794655 0.630709 0.792575 P\n0.419136 0.904109 0.573536 S\n0.494337 0.134673 0.683955 S\n0.154400 0.404110 0.573537 S\n0.310297 0.423259 0.864926 S\n0.662149 0.369983 0.423610 S\n0.048865 0.738711 0.297919 S\n0.583029 0.636030 0.860162 S\n0.401525 0.356269 0.572015 S\n0.319453 0.853169 0.866243 S\n0.546789 0.353169 0.866242 S\n0.144242 0.872086 0.102099 S\n0.680546 0.146830 0.133757 S\n0.189618 0.634673 0.683955 S\n0.845599 0.595890 0.426463 S\n0.810382 0.365326 0.316044 S\n0.277133 0.136031 0.860162 S\n0.042143 0.627913 0.897901 S\n0.855757 0.127913 0.897900 S\n0.951134 0.261289 0.702081 S\n0.689702 0.576741 0.135073 S\n0.829510 0.143730 0.427984 S\n0.260091 0.501267 0.302357 S\n0.238539 0.130017 0.576389 S\n0.722867 0.863969 0.139837 S\n0.337851 0.630017 0.576389 S\n0.170489 0.856269 0.572016 S\n0.739908 0.498732 0.697642 S\n0.957734 0.998732 0.697642 S\n0.416971 0.363969 0.139838 S\n0.580863 0.095890 0.426463 S\n0.453210 0.646830 0.133757 S\n0.761461 0.869982 0.423610 S\n0.042266 0.001268 0.302357 S\n0.554628 0.923259 0.864926 S\n0.957857 0.372086 0.102099 S\n0.249053 0.238711 0.297918 S\n0.598474 0.643730 0.427984 S\n0.505663 0.865326 0.316045 S\n0.750946 0.761288 0.702081 S\n0.445371 0.076741 0.135074 S\n",
"nsites": 56,
"nelements": 4,
"elements": [
"Na",
"Nb",
"P",
"S"
],
"chemical_system": "Na-Nb-P-S",
"density": 2.9445097032485608,
"density_atomic": 0.04429690943814775,
"volume": 1264.1965480276542,
"volume_molar": 13.594945643801132,
"formula_full": "Na4 Nb8 P4 S40",
"formula_reduced": "NaNb2PS10",
"formula_anonymous": "ABC2D10",
"energy_above_hull": 2.789118092857142,
"spacegroup": 15
},
{
"id": "jvasp-12252",
"created_at": "2022-09-04T14:38:11.745742Z",
"updated_at": "2022-09-04T14:38:11.745768Z",
"structure_string": "Na6 V2 S6 O2\n1.0\n5.892461 0.000000 0.000000\n0.000000 7.481808 -1.573329\n0.000000 0.008632 7.645439\nNa V S O\n6 2 6 2\ndirect\n0.463779 0.118889 0.881111 Na\n0.483089 0.173753 0.413613 Na\n0.483089 0.586387 0.826247 Na\n0.983089 0.413613 0.173753 Na\n0.963778 0.881111 0.118889 Na\n0.983089 0.826247 0.586387 Na\n0.385235 0.702951 0.297049 V\n0.885235 0.297048 0.702951 V\n0.500752 0.432666 0.186383 S\n0.982894 0.118380 0.881620 S\n0.500752 0.813617 0.567334 S\n0.000752 0.186383 0.432666 S\n0.000752 0.567334 0.813616 S\n0.482894 0.881620 0.118380 S\n0.598970 0.301971 0.698029 O\n0.098970 0.698029 0.301971 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Na",
"V",
"S",
"O"
],
"chemical_system": "Na-O-S-V",
"density": 2.2864156055926816,
"density_atomic": 0.0474581910354712,
"volume": 337.13885107928536,
"volume_molar": 12.68936010540084,
"formula_full": "Na6 V2 S6 O2",
"formula_reduced": "Na3VS3O",
"formula_anonymous": "ABC3D3",
"energy_above_hull": 1.3161080875000002,
"spacegroup": 36
},
{
"id": "jvasp-29310",
"created_at": "2022-09-04T14:38:01.799865Z",
"updated_at": "2022-09-04T14:38:01.799891Z",
"structure_string": "Ce2 P6 H16 O14\n1.0\n7.074609 0.022088 -0.989754\n-2.449452 6.984078 -2.724684\n0.012596 0.081718 8.776429\nCe P H O\n2 6 16 14\ndirect\n0.346347 0.185831 0.128651 Ce\n0.653654 0.814170 0.871350 Ce\n0.850618 0.189939 0.274139 P\n0.149383 0.810062 0.725862 P\n0.033168 0.787061 0.205811 P\n0.966834 0.212940 0.794190 P\n0.466009 0.309818 0.591820 P\n0.533992 0.690183 0.408182 P\n0.848115 0.146159 0.418045 H\n0.151886 0.853842 0.581957 H\n0.047643 0.621988 0.231585 H\n0.952358 0.378013 0.768417 H\n0.044728 0.917264 0.367893 H\n0.955273 0.082737 0.632109 H\n0.727344 0.669443 0.414317 H\n0.553025 0.856288 0.372965 H\n0.272658 0.330558 0.585684 H\n0.135582 0.615281 0.668385 H\n0.685014 0.287880 0.967498 H\n0.314987 0.712121 0.032504 H\n0.446976 0.143713 0.627037 H\n0.864419 0.384720 0.331616 H\n0.327960 0.500820 0.949382 H\n0.672041 0.499181 0.050620 H\n0.627326 0.368827 0.049478 O\n0.495134 0.729792 0.581206 O\n0.381798 0.521832 0.263419 O\n0.618203 0.478169 0.736583 O\n0.172368 0.262742 0.906072 O\n0.827633 0.737259 0.093929 O\n0.782692 0.133514 0.849900 O\n0.217310 0.866487 0.150101 O\n0.347655 0.931937 0.855406 O\n0.652346 0.068064 0.144596 O\n0.964877 0.835826 0.785490 O\n0.035124 0.164175 0.214512 O\n0.372676 0.631174 0.950524 O\n0.504868 0.270209 0.418796 O\n",
"nsites": 38,
"nelements": 4,
"elements": [
"Ce",
"P",
"H",
"O"
],
"chemical_system": "Ce-H-O-P",
"density": 2.689747753648991,
"density_atomic": 0.08716106213503187,
"volume": 435.97449444947733,
"volume_molar": 6.909209929854188,
"formula_full": "Ce2 P6 H16 O14",
"formula_reduced": "CeP3H8O7",
"formula_anonymous": "AB3C7D8",
"energy_above_hull": 3.147821921052632,
"spacegroup": 2
},
{
"id": "jvasp-45827",
"created_at": "2022-09-04T14:38:01.356690Z",
"updated_at": "2022-09-04T14:38:01.356715Z",
"structure_string": "Li4 Fe4 Si4 O16\n1.0\n0.000000 5.037405 -0.000717\n6.357628 0.000000 0.000000\n0.000000 -0.002270 -10.743678\nLi Fe Si O\n4 4 4 16\ndirect\n0.260192 0.232441 0.837547 Li\n0.760187 0.267557 0.161894 Li\n0.760187 0.732444 0.661894 Li\n0.260192 0.767559 0.337547 Li\n0.260838 0.529074 0.084252 Fe\n0.260838 0.470926 0.584252 Fe\n0.760863 0.970918 0.915197 Fe\n0.760863 0.029082 0.415197 Fe\n0.763869 0.228771 0.673321 Si\n0.763869 0.771229 0.173321 Si\n0.263876 0.728770 0.826125 Si\n0.263876 0.271230 0.326124 Si\n0.589211 0.242664 0.325064 O\n0.650228 0.201429 0.816601 O\n0.129563 0.056930 0.386704 O\n0.692493 0.018894 0.587698 O\n0.692493 0.981107 0.087698 O\n0.129563 0.943070 0.886704 O\n0.650228 0.798571 0.316600 O\n0.192497 0.481109 0.411745 O\n0.089205 0.742655 0.174384 O\n0.150207 0.701443 0.682840 O\n0.629550 0.556922 0.112743 O\n0.192497 0.518891 0.911746 O\n0.089205 0.257345 0.674384 O\n0.629550 0.443079 0.612743 O\n0.589211 0.757336 0.825064 O\n0.150207 0.298557 0.182840 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Fe",
"Si",
"O"
],
"chemical_system": "Fe-Li-O-Si",
"density": 2.989639927895457,
"density_atomic": 0.0813772581593562,
"volume": 344.07647337010644,
"volume_molar": 7.40027483871133,
"formula_full": "Li4 Fe4 Si4 O16",
"formula_reduced": "LiFeSiO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.440894014285714,
"spacegroup": 33
},
{
"id": "jvasp-11495",
"created_at": "2022-09-04T14:37:34.333378Z",
"updated_at": "2022-09-04T14:37:34.333402Z",
"structure_string": "Na8 Mo2 N4 O4\n1.0\n5.866403 0.003108 -0.009480\n2.128680 5.496809 0.005498\n2.810355 0.118941 8.411249\nNa Mo N O\n8 2 4 4\ndirect\n0.241246 0.761552 0.984024 Na\n0.758753 0.238449 0.015977 Na\n0.054392 0.759446 0.400420 Na\n0.945606 0.240554 0.599580 Na\n0.478868 0.738376 0.558036 Na\n0.521130 0.261625 0.441964 Na\n0.611934 0.723286 0.183524 Na\n0.388064 0.276714 0.816476 Na\n0.159288 0.280608 0.237731 Mo\n0.840710 0.719392 0.762269 Mo\n0.295156 0.037343 0.363213 N\n0.155132 0.543058 0.645431 N\n0.844867 0.456943 0.354569 N\n0.704843 0.962658 0.636788 N\n0.638859 0.515413 0.813456 O\n0.151359 0.156700 0.054125 O\n0.361139 0.484587 0.186544 O\n0.848639 0.843301 0.945876 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Na",
"Mo",
"N",
"O"
],
"chemical_system": "Mo-N-Na-O",
"density": 3.0345681138742813,
"density_atomic": 0.06634283398300356,
"volume": 271.31792417266104,
"volume_molar": 9.077304055993173,
"formula_full": "Na8 Mo2 N4 O4",
"formula_reduced": "Na4Mo(NO)2",
"formula_anonymous": "AB2C2D4",
"energy_above_hull": 2.263069488888889,
"spacegroup": 2
},
{
"id": "jvasp-109856",
"created_at": "2022-09-04T14:37:51.214904Z",
"updated_at": "2022-09-04T14:37:51.214923Z",
"structure_string": "K2 Ga1 Ag1 Cl6\n1.0\n6.174859 -0.000000 3.565057\n2.058286 5.821713 3.565057\n-0.000000 -0.000000 7.130113\nK Ga Ag Cl\n2 1 1 6\ndirect\n0.750001 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Ag\n0.762973 0.237027 0.237027 Cl\n0.237027 0.237027 0.762973 Cl\n0.237028 0.762973 0.762973 Cl\n0.237028 0.762973 0.237027 Cl\n0.762973 0.237027 0.762973 Cl\n0.762974 0.762973 0.237027 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Ga",
"Ag",
"Cl"
],
"chemical_system": "Ag-Cl-Ga-K",
"density": 3.035217514672518,
"density_atomic": 0.03901447349614867,
"volume": 256.31513394605093,
"volume_molar": 15.43565815541373,
"formula_full": "K2 Ga1 Ag1 Cl6",
"formula_reduced": "K2GaAgCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-47037",
"created_at": "2022-09-04T14:38:01.522805Z",
"updated_at": "2022-09-04T14:38:01.522823Z",
"structure_string": "Li5 Mn3 Co2 O10\n1.0\n5.046889 0.013629 -0.059781\n-0.810438 5.001416 0.030861\n-2.378097 -2.255345 6.851474\nLi Mn Co O\n5 3 2 10\ndirect\n0.093748 0.800212 0.583215 Li\n0.717455 0.617964 0.224888 Li\n0.499999 0.500000 0.500000 Li\n0.282543 0.382036 0.775112 Li\n0.906251 0.199788 0.416784 Li\n0.500000 0.000000 0.000000 Mn\n0.108721 0.311836 0.110560 Mn\n0.891278 0.688164 0.889439 Mn\n0.697814 0.099812 0.696697 Co\n0.302185 0.900188 0.303303 Co\n0.710702 0.328351 0.954542 O\n0.909161 0.930498 0.143785 O\n0.289297 0.671649 0.045457 O\n0.679700 0.870627 0.454179 O\n0.524299 0.768914 0.761513 O\n0.114683 0.559173 0.338273 O\n0.885316 0.440826 0.661726 O\n0.475700 0.231086 0.238487 O\n0.320299 0.129373 0.545821 O\n0.090838 0.069502 0.856215 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.594132848991291,
"density_atomic": 0.11590993432877679,
"volume": 172.54776405334076,
"volume_molar": 5.1955346147624315,
"formula_full": "Li5 Mn3 Co2 O10",
"formula_reduced": "Li5Mn3(CoO5)2",
"formula_anonymous": "A2B3C5D10",
"energy_above_hull": 2.8710184262068963,
"spacegroup": 2
},
{
"id": "jvasp-25630",
"created_at": "2022-09-04T14:37:39.863565Z",
"updated_at": "2022-09-04T14:37:39.863585Z",
"structure_string": "Ge4 Cl4 O8 F20\n1.0\n7.481837 -0.000000 -0.000000\n-3.740918 7.406229 0.000000\n-0.000000 0.000000 8.927574\nGe Cl O F\n4 4 8 20\ndirect\n0.770158 0.768879 0.184290 Ge\n0.229843 0.231121 0.684290 Ge\n0.001279 0.231121 0.315709 Ge\n-0.001280 0.768879 0.815709 Ge\n0.611496 0.222992 0.000000 Cl\n0.724457 0.448914 0.500000 Cl\n0.388504 0.777008 0.500000 Cl\n0.275543 0.551086 0.000000 Cl\n0.654504 0.125854 0.886480 O\n0.393152 0.649173 0.876025 O\n0.256022 0.649173 0.123974 O\n0.743979 0.350828 0.623974 O\n0.606848 0.350828 0.376025 O\n0.471350 0.125854 0.113520 O\n0.528650 0.874146 0.613520 O\n0.345496 0.874146 0.386480 O\n0.977887 0.000000 0.250000 F\n0.080273 0.720854 0.633809 F\n0.359419 0.279146 0.866190 F\n0.919728 0.279146 0.133810 F\n0.072216 0.323857 0.749064 F\n0.635782 0.884341 0.118708 F\n0.364219 0.115659 0.618708 F\n0.920056 0.840111 0.000000 F\n0.595297 0.557355 0.097782 F\n0.962058 0.557355 0.902218 F\n0.751440 0.115659 0.381292 F\n0.037942 0.442645 0.402218 F\n0.404703 0.442645 0.597782 F\n0.248560 0.884341 0.881291 F\n0.748359 0.676143 0.750936 F\n0.022113 0.000000 0.750000 F\n0.927784 0.676143 0.249064 F\n0.251641 0.323857 0.250936 F\n0.640581 0.720854 0.366190 F\n0.079944 0.159889 0.500000 F\n",
"nsites": 36,
"nelements": 4,
"elements": [
"Ge",
"Cl",
"O",
"F"
],
"chemical_system": "Cl-F-Ge-O",
"density": 3.156406893593177,
"density_atomic": 0.0727718915114905,
"volume": 494.69649959992717,
"volume_molar": 8.275366539083459,
"formula_full": "Ge4 Cl4 O8 F20",
"formula_reduced": "GeClO2F5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 0.4926087144444444,
"spacegroup": 20
}
]
}