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=45",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nelements&page=43",
"results": [
{
"id": "jvasp-7109",
"created_at": "2022-09-04T14:38:32.360248Z",
"updated_at": "2022-09-04T14:38:32.360274Z",
"structure_string": "H5 Pb1 C1 I3 N2\n1.0\n6.486825 0.000000 -0.000000\n0.000001 6.309788 -0.000000\n-0.000000 0.000000 6.405316\nH Pb C I N\n5 1 1 3 2\ndirect\n0.500000 0.702262 0.500000 H\n0.809197 0.525307 0.500000 H\n0.697727 0.272228 0.500000 H\n0.302274 0.272228 0.500000 H\n0.190804 0.525307 0.500000 H\n-0.000000 0.945495 0.000000 Pb\n0.500001 0.528902 0.500000 C\n0.500000 0.958708 0.000000 I\n-0.000000 0.444545 0.000000 I\n-0.000000 0.926676 0.500000 I\n0.679569 0.433430 0.500000 N\n0.320430 0.433430 0.500000 N\n",
"nsites": 12,
"nelements": 5,
"elements": [
"H",
"Pb",
"C",
"I",
"N"
],
"chemical_system": "C-H-I-N-Pb",
"density": 4.009125593096728,
"density_atomic": 0.045771351523680545,
"volume": 262.17272596356713,
"volume_molar": 13.1570088265459,
"formula_full": "H5 Pb1 C1 I3 N2",
"formula_reduced": "H5PbCI3N2",
"formula_anonymous": "ABC2D3E5",
"energy_above_hull": 2.8686113454166664,
"spacegroup": 25
},
{
"id": "jvasp-116646",
"created_at": "2022-09-04T14:38:43.642718Z",
"updated_at": "2022-09-04T14:38:43.642747Z",
"structure_string": "Sr2 La2 Mg2 Ru2 O12\n1.0\n5.609583 0.000000 0.000000\n-0.000000 4.567475 3.230451\n-0.000000 -0.004936 9.673815\nSr La Mg Ru O\n2 2 2 2 12\ndirect\n0.222434 0.245558 0.250187 Sr\n0.777566 0.245558 0.750187 Sr\n0.284808 0.756288 0.750925 La\n0.715191 0.756288 0.250925 La\n0.753299 0.499945 0.000491 Mg\n0.246700 0.499945 0.500492 Mg\n0.750905 -0.000142 0.500174 Ru\n0.249095 -0.000142 0.000174 Ru\n0.240381 0.319357 0.755809 O\n0.759618 0.319358 0.255809 O\n0.522228 0.818561 0.965566 O\n0.477772 0.818562 0.465565 O\n0.968114 0.167369 0.038037 O\n0.042461 0.757855 0.962026 O\n0.466435 0.239133 0.032735 O\n0.533565 0.239132 0.532736 O\n0.734636 0.696076 0.744052 O\n0.957539 0.757856 0.462026 O\n0.031886 0.167369 0.538037 O\n0.265363 0.696076 0.244052 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Sr",
"La",
"Mg",
"Ru",
"O"
],
"chemical_system": "La-Mg-O-Ru-Sr",
"density": 5.999235150325747,
"density_atomic": 0.08066195805317093,
"volume": 247.94835735101242,
"volume_molar": 7.465899545892888,
"formula_full": "Sr2 La2 Mg2 Ru2 O12",
"formula_reduced": "SrLaMgRuO6",
"formula_anonymous": "ABCDE6",
"energy_above_hull": 2.058627186,
"spacegroup": 7
},
{
"id": "jvasp-112846",
"created_at": "2022-09-04T14:38:44.823157Z",
"updated_at": "2022-09-04T14:38:44.823194Z",
"structure_string": "Li4 Fe1 Ni3 P4 O16\n1.0\n5.913129 -0.000000 0.000000\n0.000000 4.693996 0.007303\n-0.000000 0.010344 10.079190\nLi Fe Ni P O\n4 1 3 4 16\ndirect\n0.250924 -0.001089 0.996546 Li\n0.749076 -0.001089 0.996546 Li\n0.746857 0.500956 0.505390 Li\n0.253143 0.500956 0.505390 Li\n-0.000000 0.977999 0.278322 Fe\n0.500000 0.016889 0.725473 Ni\n0.500000 0.478176 0.222608 Ni\n-0.000000 0.519560 0.775502 Ni\n0.500000 0.923581 0.406681 P\n0.500000 0.579235 0.905827 P\n-0.000000 0.416034 0.091141 P\n-0.000000 0.082375 0.595933 P\n0.708646 0.786030 0.333808 O\n-0.000000 0.755627 0.596667 O\n-0.000000 0.742263 0.095488 O\n0.291737 0.721365 0.834266 O\n0.708263 0.721365 0.834266 O\n0.500000 0.702143 0.049010 O\n-0.000000 0.292086 0.948637 O\n0.209234 0.222474 0.666032 O\n0.206764 0.274687 0.164347 O\n0.500000 0.252500 0.903104 O\n0.500000 0.249899 0.403950 O\n0.790766 0.222474 0.666032 O\n0.291354 0.786030 0.333808 O\n-0.000000 0.207296 0.452150 O\n0.793236 0.274687 0.164347 O\n0.500000 0.795488 0.548728 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Fe",
"Ni",
"P",
"O"
],
"chemical_system": "Fe-Li-Ni-O-P",
"density": 3.7962545946020216,
"density_atomic": 0.10008592883546197,
"volume": 279.7596058286185,
"volume_molar": 6.016970447364489,
"formula_full": "Li4 Fe1 Ni3 P4 O16",
"formula_reduced": "Li4FeNi3(PO4)4",
"formula_anonymous": "AB3C4D4E16",
"energy_above_hull": 2.6688896678571425,
"spacegroup": 6
},
{
"id": "jvasp-117059",
"created_at": "2022-09-04T14:38:49.759937Z",
"updated_at": "2022-09-04T14:38:49.759962Z",
"structure_string": "Ba2 Y2 Mn2 Cu2 O10\n1.0\n5.228795 0.011550 1.734338\n-0.586795 5.195780 1.734333\n0.073231 0.082158 8.528534\nBa Y Mn Cu O\n2 2 2 2 10\ndirect\n0.008386 0.008387 0.983241 Ba\n0.508387 0.508387 0.983241 Ba\n0.271869 0.271869 0.456267 Y\n0.771870 0.771869 0.456267 Y\n0.151393 0.651393 0.697210 Mn\n0.651398 0.151398 0.697201 Mn\n0.372346 0.872346 0.255285 Cu\n0.872370 0.372370 0.255236 Cu\n0.611360 0.111360 0.277270 O\n0.111360 0.611360 0.277269 O\n0.424734 0.424730 0.650534 O\n0.924730 0.924734 0.650533 O\n0.029828 0.529829 0.940354 O\n0.424737 0.924737 0.650533 O\n0.529842 0.029842 0.940329 O\n0.111377 0.111375 0.277262 O\n0.924734 0.424734 0.650533 O\n0.611375 0.611377 0.277262 O\n",
"nsites": 18,
"nelements": 5,
"elements": [
"Ba",
"Y",
"Mn",
"Cu",
"O"
],
"chemical_system": "Ba-Cu-Mn-O-Y",
"density": 6.125423822534336,
"density_atomic": 0.07816873530364746,
"volume": 230.27109150581455,
"volume_molar": 7.704027366704754,
"formula_full": "Ba2 Y2 Mn2 Cu2 O10",
"formula_reduced": "BaYMnCuO5",
"formula_anonymous": "ABCDE5",
"energy_above_hull": 2.1634407345977005,
"spacegroup": 99
},
{
"id": "jvasp-119306",
"created_at": "2022-09-04T14:38:50.512563Z",
"updated_at": "2022-09-04T14:38:50.512583Z",
"structure_string": "Ag6 Mo2 Cl1 O7 F3\n1.0\n7.456066 0.000000 0.000000\n-3.728033 6.457143 0.000000\n-0.000000 -0.000000 5.951499\nAg Mo Cl O F\n6 2 1 7 3\ndirect\n0.156056 0.843944 0.183370 Ag\n0.828290 0.171711 0.736238 Ag\n0.828290 0.656578 0.736238 Ag\n0.156055 0.312109 0.183370 Ag\n0.687891 0.843944 0.183370 Ag\n0.343422 0.171711 0.736238 Ag\n0.666667 0.333333 0.248316 Mo\n0.333334 0.666666 0.679306 Mo\n0.000000 0.000000 0.494197 Cl\n0.794126 0.588250 0.131256 O\n0.209374 0.418748 0.811089 O\n0.411750 0.205875 0.131256 O\n0.209374 0.790626 0.811089 O\n0.581252 0.790626 0.811089 O\n0.794125 0.205875 0.131256 O\n0.666667 0.333333 0.554140 O\n0.450685 0.549315 0.432912 F\n0.098632 0.549315 0.432912 F\n0.450685 0.901368 0.432912 F\n",
"nsites": 19,
"nelements": 5,
"elements": [
"Ag",
"Mo",
"Cl",
"O",
"F"
],
"chemical_system": "Ag-Cl-F-Mo-O",
"density": 6.047541525284154,
"density_atomic": 0.06630970379287554,
"volume": 286.5342312393409,
"volume_molar": 9.081839332008947,
"formula_full": "Ag6 Mo2 Cl1 O7 F3",
"formula_reduced": "Ag6Mo2ClO7F3",
"formula_anonymous": "AB2C3D6E7",
"energy_above_hull": 1.7121523565789474,
"spacegroup": 156
},
{
"id": "jvasp-103850",
"created_at": "2022-09-04T14:37:00.321586Z",
"updated_at": "2022-09-04T14:37:00.321617Z",
"structure_string": "H10 C16 S2 N2 O2\n1.0\n3.731971 -0.083535 0.482342\n0.988187 8.655428 2.651449\n0.057139 -0.157274 10.409020\nH C S N O\n10 16 2 2 2\ndirect\n0.103126 0.356060 0.152757 H\n0.537952 0.995534 0.828921 H\n0.142489 0.227123 0.374841 H\n0.642489 0.727122 0.874841 H\n0.046928 0.372849 0.548880 H\n0.037951 0.495534 0.328921 H\n0.864648 0.825274 0.472913 H\n0.364649 0.325274 0.972913 H\n0.603126 0.856060 0.652757 H\n0.546928 0.872849 0.048880 H\n0.799257 0.191524 0.702752 C\n0.671671 0.045034 0.729769 C\n0.171671 0.545033 0.229769 C\n0.704578 0.968558 0.631754 C\n0.204578 0.468558 0.131754 C\n0.206882 0.920055 0.316105 C\n0.706882 0.420054 0.816105 C\n0.299256 0.691524 0.202752 C\n0.945883 0.260627 0.570768 C\n0.387770 0.531211 0.004285 C\n0.445884 0.760627 0.070767 C\n0.999433 0.179732 0.472708 C\n0.499434 0.679732 0.972708 C\n0.305391 0.751592 0.317960 C\n0.805393 0.251591 0.817960 C\n0.887771 0.031211 0.504285 C\n0.925231 0.137559 0.962632 S\n0.425230 0.637559 0.462633 S\n0.458006 0.429241 0.924176 N\n0.958006 0.929240 0.424176 N\n0.848922 0.528120 0.734566 O\n0.348920 0.028119 0.234567 O\n",
"nsites": 32,
"nelements": 5,
"elements": [
"H",
"C",
"S",
"N",
"O"
],
"chemical_system": "C-H-N-O-S",
"density": 1.6020005915794957,
"density_atomic": 0.09458515568656127,
"volume": 338.3194727303978,
"volume_molar": 6.366898395723242,
"formula_full": "H10 C16 S2 N2 O2",
"formula_reduced": "H5C8SNO",
"formula_anonymous": "ABCD5E8",
"energy_above_hull": 5.503247296874999,
"spacegroup": 1
},
{
"id": "jvasp-100383",
"created_at": "2022-09-04T14:36:38.455539Z",
"updated_at": "2022-09-04T14:36:38.455563Z",
"structure_string": "In1 Ga1 Cu1 Ag1 Se4\n1.0\n5.389000 -0.007490 -4.642840\n-1.137192 5.267653 -4.642840\n0.006054 0.007490 7.113173\nIn Ga Cu Ag Se\n1 1 1 1 4\ndirect\n0.500000 0.500000 -0.000000 In\n0.750000 0.250000 0.499999 Ga\n0.000000 0.000000 0.000000 Cu\n0.250000 0.750000 0.499999 Ag\n0.654332 0.626654 0.529964 Se\n0.096689 0.124367 0.470034 Se\n0.875632 0.345667 0.972321 Se\n0.373346 0.903311 0.027678 Se\n",
"nsites": 8,
"nelements": 5,
"elements": [
"In",
"Ga",
"Cu",
"Ag",
"Se"
],
"chemical_system": "Ag-Cu-Ga-In-Se",
"density": 5.515959913567513,
"density_atomic": 0.0395571591312357,
"volume": 202.23899227593733,
"volume_molar": 15.223895983078092,
"formula_full": "In1 Ga1 Cu1 Ag1 Se4",
"formula_reduced": "InGaCuAgSe4",
"formula_anonymous": "ABCDE4",
"energy_above_hull": 0.5203579339583333,
"spacegroup": 82
},
{
"id": "jvasp-97930",
"created_at": "2022-09-04T14:35:57.310612Z",
"updated_at": "2022-09-04T14:35:57.310624Z",
"structure_string": "Ca4 Al2 H20 Cl2 O16\n1.0\n10.461348 -0.000000 -2.041681\n0.470472 3.101670 7.913087\n0.470472 -3.101670 7.913087\nCa Al H Cl O\n4 2 20 2 16\ndirect\n0.823797 0.501259 0.578177 Ca\n0.676203 0.921824 -0.001259 Ca\n0.176203 0.498741 0.421824 Ca\n0.323797 0.078177 0.001259 Ca\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.442553 0.398344 0.241310 H\n0.057447 0.258690 0.101656 H\n0.557447 0.601656 0.758691 H\n0.942553 0.741310 0.898345 H\n0.115055 0.196634 0.353064 H\n0.615055 0.853064 0.696634 H\n0.884945 0.803366 0.646937 H\n0.882931 0.432801 0.292789 H\n0.617069 0.207211 0.067200 H\n0.384945 0.146936 0.303366 H\n0.382930 0.792789 -0.067199 H\n0.117069 0.567200 0.707211 H\n0.992458 0.238597 0.141203 H\n0.492458 0.641203 0.738597 H\n0.007541 0.761404 0.858798 H\n0.507542 0.358798 0.261403 H\n0.817183 0.979442 0.399691 H\n0.682817 0.100309 0.520558 H\n0.182816 0.020558 0.600309 H\n0.317183 -0.100309 0.479442 H\n0.750000 0.321716 0.178284 Cl\n0.250000 0.678284 0.821717 Cl\n0.389886 0.688768 0.230543 O\n0.850022 0.821582 0.522985 O\n0.889886 0.730543 0.188768 O\n0.610113 0.311232 0.769458 O\n0.110113 0.269458 0.811232 O\n0.649977 0.977015 0.678419 O\n0.937991 0.486877 0.350817 O\n0.858523 0.133281 0.895291 O\n0.062008 0.513123 0.649184 O\n0.437991 0.850816 -0.013123 O\n0.141477 0.866719 0.104709 O\n0.358523 0.395291 0.633281 O\n0.641477 0.604709 0.366719 O\n0.149977 0.178419 0.477015 O\n0.562009 0.149184 0.013123 O\n0.350023 0.022985 0.321581 O\n",
"nsites": 44,
"nelements": 5,
"elements": [
"Ca",
"Al",
"H",
"Cl",
"O"
],
"chemical_system": "Al-Ca-Cl-H-O",
"density": 1.7943124799795822,
"density_atomic": 0.08469995680578979,
"volume": 519.4807843986092,
"volume_molar": 7.109969104008265,
"formula_full": "Ca4 Al2 H20 Cl2 O16",
"formula_reduced": "Ca2AlH10ClO8",
"formula_anonymous": "ABC2D8E10",
"energy_above_hull": 2.5940307139772734,
"spacegroup": 15
},
{
"id": "jvasp-29106",
"created_at": "2022-09-04T14:35:53.007467Z",
"updated_at": "2022-09-04T14:35:53.007496Z",
"structure_string": "Te4 Mo3 W1 Se2 S2\n1.0\n3.400375 -0.000000 0.000000\n-1.700188 2.944812 -0.000009\n-0.000002 -0.000109 38.721049\nTe Mo W Se S\n4 3 1 2 2\ndirect\n0.333350 0.666703 0.330298 Te\n0.666645 0.333291 0.045456 Te\n0.666643 0.333288 0.142238 Te\n0.333348 0.666699 0.233474 Te\n0.333311 0.666623 0.093796 Mo\n0.333314 0.666627 0.469679 Mo\n0.666683 0.333370 0.281885 Mo\n0.666689 0.333381 0.657535 W\n0.666642 0.333285 0.427044 Se\n0.666649 0.333300 0.512317 Se\n0.333359 0.666720 0.696458 S\n0.333354 0.666708 0.618568 S\n",
"nsites": 12,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 5.156841195899781,
"density_atomic": 0.030949222482404996,
"volume": 387.7318729677989,
"volume_molar": 19.458132634587702,
"formula_full": "Te4 Mo3 W1 Se2 S2",
"formula_reduced": "Te4Mo3W(SeS)2",
"formula_anonymous": "AB2C2D3E4",
"energy_above_hull": 3.636738791666666,
"spacegroup": 156
},
{
"id": "jvasp-95448",
"created_at": "2022-09-04T14:36:31.208809Z",
"updated_at": "2022-09-04T14:36:31.208834Z",
"structure_string": "Na4 Sr2 Al8 Si8 O32\n1.0\n7.750054 -0.000011 -3.357913\n-2.012492 8.569357 -4.644837\n0.018380 0.005247 10.665006\nNa Sr Al Si O\n4 2 8 8 32\ndirect\n0.364328 0.082991 0.808449 Na\n0.864327 0.225459 0.808448 Na\n0.944128 0.582996 0.808454 Na\n0.444129 0.725458 0.808456 Na\n0.654255 0.154263 0.308525 Sr\n0.154255 0.654264 0.308525 Sr\n0.633051 0.370056 0.126686 Al\n0.133051 0.256629 0.126686 Al\n0.533826 0.356347 0.621875 Al\n0.033827 0.765527 0.621875 Al\n0.493623 0.756631 0.126684 Al\n0.088050 0.265525 0.621874 Al\n0.993622 0.870054 0.126684 Al\n0.588050 0.856350 0.621874 Al\n0.322429 0.044608 0.491490 Si\n0.169065 0.446890 0.491495 Si\n0.669065 0.544606 0.491495 Si\n0.822430 0.946882 0.491490 Si\n0.261261 0.447487 0.996466 Si\n0.735201 0.548979 0.996468 Si\n0.761259 0.048980 0.996466 Si\n0.235201 0.947490 0.996468 Si\n0.473327 0.150903 0.493083 O\n0.642865 0.171730 0.059515 O\n0.787594 0.483064 0.119986 O\n0.258469 0.165817 0.620700 O\n0.362242 0.454888 0.620698 O\n0.418780 0.354151 0.992009 O\n0.573229 0.637860 0.992017 O\n0.160989 0.934670 0.315795 O\n0.519770 0.650905 0.493088 O\n0.916648 0.671729 0.059518 O\n0.689500 0.407379 0.816261 O\n0.189499 0.908883 0.816261 O\n0.918779 0.137857 0.992009 O\n0.655893 0.420319 0.550320 O\n0.142865 0.387786 0.059515 O\n0.894431 0.129992 0.550313 O\n0.073229 0.854157 0.992016 O\n0.126757 0.408882 0.816259 O\n0.416648 0.887789 0.059517 O\n0.862242 0.665810 0.620698 O\n0.660988 0.881127 0.315795 O\n0.154803 0.381133 0.315796 O\n0.654802 0.434663 0.315796 O\n0.758469 0.954884 0.620701 O\n0.019770 0.342183 0.493088 O\n0.332391 0.636919 0.119985 O\n0.973326 0.842181 0.493083 O\n0.626757 0.907378 0.816259 O\n0.155893 0.630001 0.550320 O\n0.394432 0.920321 0.550313 O\n0.287594 0.136922 0.119986 O\n0.832390 0.983067 0.119986 O\n",
"nsites": 54,
"nelements": 5,
"elements": [
"Na",
"Sr",
"Al",
"Si",
"O"
],
"chemical_system": "Al-Na-O-Si-Sr",
"density": 2.8564877199955516,
"density_atomic": 0.07615847457067962,
"volume": 709.0478151566018,
"volume_molar": 7.907381015636145,
"formula_full": "Na4 Sr2 Al8 Si8 O32",
"formula_reduced": "Na2SrAl4(SiO4)4",
"formula_anonymous": "AB2C4D4E16",
"energy_above_hull": 2.538275404074074,
"spacegroup": 45
},
{
"id": "jvasp-120485",
"created_at": "2022-09-04T14:38:50.959599Z",
"updated_at": "2022-09-04T14:38:50.959623Z",
"structure_string": "Ca2 Mg2 P2 O8 F2\n1.0\n5.328606 -0.026101 1.242889\n-1.883318 4.984760 1.242889\n0.011472 0.016511 6.929326\nCa Mg P O F\n2 2 2 8 2\ndirect\n0.662468 0.337532 0.750001 Ca\n0.337532 0.662468 0.250000 Ca\n-0.000000 -0.000000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.320739 0.679260 0.750001 P\n0.679261 0.320740 0.250000 P\n0.598442 0.742683 0.588233 O\n0.401558 0.257317 0.411768 O\n0.257317 0.401558 0.911768 O\n0.742683 0.598442 0.088232 O\n0.328827 0.890163 0.868828 O\n0.671173 0.109837 0.131173 O\n0.109836 0.671173 0.631174 O\n0.890164 0.328827 0.368827 O\n0.915552 0.084449 0.750000 F\n0.084448 0.915551 0.250000 F\n",
"nsites": 16,
"nelements": 5,
"elements": [
"Ca",
"Mg",
"P",
"O",
"F"
],
"chemical_system": "Ca-F-Mg-O-P",
"density": 3.2280007179645334,
"density_atomic": 0.08719561900543539,
"volume": 183.49545748396636,
"volume_molar": 6.9064717111815055,
"formula_full": "Ca2 Mg2 P2 O8 F2",
"formula_reduced": "CaMgPO4F",
"formula_anonymous": "ABCDE4",
"energy_above_hull": 1.2303136565625,
"spacegroup": 15
},
{
"id": "jvasp-110164",
"created_at": "2022-09-04T14:38:49.956470Z",
"updated_at": "2022-09-04T14:38:49.956507Z",
"structure_string": "Sr1 Pr1 Fe1 Co1 O6\n1.0\n4.700855 0.025807 -2.658067\n-1.480945 4.458495 -2.666570\n-0.044066 -0.052686 5.388875\nSr Pr Fe Co O\n1 1 1 1 6\ndirect\n0.750453 0.750024 0.500285 Sr\n0.253990 0.254641 0.504513 Pr\n0.499432 0.000257 -0.000143 Fe\n0.000079 0.499879 -0.000017 Co\n0.270512 0.720807 -0.009814 O\n0.211495 0.209501 -0.040983 O\n0.718938 0.268388 0.988877 O\n0.805996 0.807866 0.057753 O\n0.271001 0.719079 0.501141 O\n0.718104 0.269562 0.498393 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Sr",
"Pr",
"Fe",
"Co",
"O"
],
"chemical_system": "Co-Fe-O-Pr-Sr",
"density": 6.527015090274638,
"density_atomic": 0.08947508026020103,
"volume": 111.76296205512375,
"volume_molar": 6.7305228925049425,
"formula_full": "Sr1 Pr1 Fe1 Co1 O6",
"formula_reduced": "SrPrFeCoO6",
"formula_anonymous": "ABCDE6",
"energy_above_hull": 2.438362356,
"spacegroup": 8
}
]
}