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=4558",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nelements&page=4556",
"results": [
{
"id": "jvasp-101821",
"created_at": "2022-09-04T14:36:51.146230Z",
"updated_at": "2022-09-04T14:36:51.146249Z",
"structure_string": "H10 C12 S2 N2 O2\n1.0\n5.118479 0.103579 -0.720583\n-0.891901 7.283854 -1.453439\n-0.194540 -0.062025 7.529260\nH C S N O\n10 12 2 2 2\ndirect\n0.936777 0.948707 0.859179 H\n0.936775 0.448706 0.359179 H\n0.177029 0.772462 0.338580 H\n0.177026 0.272463 0.838582 H\n0.848535 0.961455 0.159646 H\n0.848533 0.461456 0.659648 H\n0.677709 0.090460 0.707041 H\n0.677708 0.590459 0.207041 H\n0.144740 0.961990 0.699541 H\n0.144738 0.461990 0.199542 H\n0.761743 0.340521 0.076810 C\n0.761745 0.840522 0.576810 C\n0.995109 0.368303 0.235116 C\n0.995110 0.868303 0.735115 C\n0.426964 0.528468 0.954059 C\n0.426964 0.028468 0.454059 C\n0.212189 0.418839 0.843834 C\n0.120296 0.205379 0.281732 C\n0.212191 0.918838 0.343833 C\n0.036401 0.521069 0.747260 C\n0.036402 0.021069 0.247260 C\n0.120296 0.705379 0.781732 C\n0.420903 0.253970 0.431343 S\n0.420904 0.753970 0.931342 S\n0.630566 0.992752 0.585378 N\n0.630565 0.492752 0.085378 N\n0.703754 0.701894 0.450180 O\n0.703753 0.201894 0.950180 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"H",
"C",
"S",
"N",
"O"
],
"chemical_system": "C-H-N-O-S",
"density": 1.651282862409086,
"density_atomic": 0.10003205295215128,
"volume": 279.91028049172746,
"volume_molar": 6.020211104615232,
"formula_full": "H10 C12 S2 N2 O2",
"formula_reduced": "H5C6SNO",
"formula_anonymous": "ABCD5E6",
"energy_above_hull": 5.159081196428572,
"spacegroup": 1
},
{
"id": "jvasp-103898",
"created_at": "2022-09-04T14:37:02.015206Z",
"updated_at": "2022-09-04T14:37:02.015223Z",
"structure_string": "Al1 H16 C10 Cl1 O4\n1.0\n4.757365 -0.013961 0.833531\n0.641731 6.436852 2.552180\n0.043223 -0.203279 9.248469\nAl H C Cl O\n1 16 10 1 4\ndirect\n0.143802 0.746251 0.902399 Al\n0.349397 0.276375 0.390406 H\n0.502815 0.512411 0.495959 H\n0.532435 0.319064 0.676522 H\n-0.008337 0.299158 0.707497 H\n0.982992 0.524957 0.542660 H\n0.824079 0.201320 0.174403 H\n0.926281 0.951417 0.163428 H\n0.301984 0.084134 0.574583 H\n0.638808 0.836929 0.456684 H\n0.872384 0.243181 0.411572 H\n0.812642 0.048030 0.593593 H\n0.241290 0.169215 0.980086 H\n0.572670 0.272219 0.955398 H\n0.421579 0.875493 0.220928 H\n0.315029 0.123813 0.234569 H\n0.001376 0.875271 0.414049 H\n0.462594 0.131299 0.000795 C\n0.478863 0.035143 0.178758 C\n0.739033 0.117604 0.478715 C\n0.788168 0.954553 0.397500 C\n0.768229 0.040960 0.221530 C\n0.407880 0.374745 0.578615 C\n0.432626 0.208810 0.502205 C\n0.090804 0.562942 0.742392 C\n0.601587 0.983329 0.918768 C\n0.102316 0.435801 0.639897 C\n0.175300 0.561151 0.141909 Cl\n0.274941 0.695094 0.714141 O\n0.875399 0.959750 0.897593 O\n0.460534 0.882262 0.872217 O\n0.916846 0.545714 0.866384 O\n",
"nsites": 32,
"nelements": 5,
"elements": [
"Al",
"H",
"C",
"Cl",
"O"
],
"chemical_system": "Al-C-Cl-H-O",
"density": 1.5281619973872167,
"density_atomic": 0.11211561935630324,
"volume": 285.41964254154504,
"volume_molar": 5.371366447043965,
"formula_full": "Al1 H16 C10 Cl1 O4",
"formula_reduced": "AlH16C10ClO4",
"formula_anonymous": "ABC4D10E16",
"energy_above_hull": 4.533354089609375,
"spacegroup": 1
},
{
"id": "jvasp-28967",
"created_at": "2022-09-04T14:36:54.246524Z",
"updated_at": "2022-09-04T14:36:54.246544Z",
"structure_string": "Te2 Mo1 W3 Se2 S4\n1.0\n3.311614 -0.000000 0.000000\n-1.655808 2.867962 0.000332\n0.000000 0.003544 32.512787\nTe Mo W Se S\n2 1 3 2 4\ndirect\n0.333717 0.667437 0.738437 Te\n0.333873 0.667748 0.619856 Te\n0.666736 0.333473 0.274708 Mo\n0.332412 0.664825 0.078253 W\n0.333672 0.667347 0.470776 W\n0.667100 0.334201 0.679224 W\n0.333337 0.666677 0.326320 Se\n0.333442 0.666888 0.223076 Se\n0.665817 0.331633 0.031050 S\n0.667134 0.334270 0.423526 S\n0.665783 0.331568 0.125498 S\n0.666959 0.333920 0.518025 S\n",
"nsites": 12,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 6.3930074493141795,
"density_atomic": 0.038860998034524266,
"volume": 308.7928927954746,
"volume_molar": 15.496618884182816,
"formula_full": "Te2 Mo1 W3 Se2 S4",
"formula_reduced": "Te2MoW3(SeS2)2",
"formula_anonymous": "AB2C2D3E4",
"energy_above_hull": 4.219946513888889,
"spacegroup": 156
},
{
"id": "jvasp-51818",
"created_at": "2022-09-04T14:37:06.634352Z",
"updated_at": "2022-09-04T14:37:06.634381Z",
"structure_string": "Ba1 Co2 P2 H2 O9\n1.0\n4.617640 2.449512 -0.145601\n-4.617640 2.449512 0.145601\n-0.006953 0.000000 8.331377\nBa Co P H O\n1 2 2 2 9\ndirect\n0.229399 0.229399 0.500000 Ba\n0.503269 0.835234 0.854759 Co\n0.835235 0.503268 0.145241 Co\n0.890813 0.581964 0.761408 P\n0.581964 0.890813 0.238593 P\n0.215185 0.337081 0.066893 H\n0.337082 0.215185 0.933107 H\n0.392562 0.392562 -0.000000 O\n0.679541 0.046757 0.066788 O\n0.046757 0.679541 0.933213 O\n0.781023 0.795930 0.710139 O\n0.795930 0.781022 0.289861 O\n0.153243 0.643052 0.652279 O\n0.643053 0.153243 0.347722 O\n0.605445 0.246696 0.754754 O\n0.246696 0.605445 0.245246 O\n",
"nsites": 16,
"nelements": 5,
"elements": [
"Ba",
"Co",
"P",
"H",
"O"
],
"chemical_system": "Ba-Co-H-O-P",
"density": 4.080722625805026,
"density_atomic": 0.08489556160500611,
"volume": 188.4668608995516,
"volume_molar": 7.09358728082775,
"formula_full": "Ba1 Co2 P2 H2 O9",
"formula_reduced": "BaCo2P2H2O9",
"formula_anonymous": "AB2C2D2E9",
"energy_above_hull": 2.9319856418750003,
"spacegroup": 5
},
{
"id": "jvasp-29122",
"created_at": "2022-09-04T14:36:50.423549Z",
"updated_at": "2022-09-04T14:36:50.423567Z",
"structure_string": "Te4 Mo2 W2 Se2 S2\n1.0\n3.416157 -0.000001 -0.000001\n-1.708079 2.958480 -0.000001\n-0.000021 -0.000028 38.343440\nTe Mo W Se S\n4 2 2 2 2\ndirect\n0.333358 0.666716 0.706327 Te\n0.666640 0.333279 0.045405 Te\n0.666648 0.333296 0.142819 Te\n0.333351 0.666702 0.608480 Te\n0.333300 0.666601 0.093921 Mo\n0.333321 0.666642 0.469622 Mo\n0.666685 0.333370 0.281830 W\n0.666688 0.333372 0.657517 W\n0.666643 0.333284 0.426774 Se\n0.666649 0.333296 0.512501 Se\n0.333364 0.666725 0.321083 S\n0.333356 0.666713 0.242471 S\n",
"nsites": 12,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 5.5362731995040715,
"density_atomic": 0.030965905686256984,
"volume": 387.5229783873473,
"volume_molar": 19.447649363192024,
"formula_full": "Te4 Mo2 W2 Se2 S2",
"formula_reduced": "Te2MoWSeS",
"formula_anonymous": "ABCDE2",
"energy_above_hull": 3.4644741333333333,
"spacegroup": 156
},
{
"id": "jvasp-56688",
"created_at": "2022-09-04T14:37:02.003016Z",
"updated_at": "2022-09-04T14:37:02.003046Z",
"structure_string": "Ag6 Mo2 Cl1 O7 F3\n1.0\n3.731795 -6.463659 -0.000000\n3.731795 6.463659 0.000000\n0.000000 0.000000 5.942608\nAg Mo Cl O F\n6 2 1 7 3\ndirect\n0.821425 0.178574 0.818505 Ag\n0.495107 0.504892 0.262500 Ag\n0.009786 0.504892 0.262500 Ag\n0.357148 0.178574 0.818505 Ag\n0.821425 0.642851 0.818505 Ag\n0.495106 0.990213 0.262500 Ag\n0.333332 0.666666 0.749371 Mo\n0.000000 0.000000 0.322317 Mo\n0.666666 0.333332 0.504144 Cl\n0.078728 0.539364 0.867370 O\n0.247650 0.123824 0.189594 O\n0.460635 0.921270 0.867370 O\n0.876175 0.123824 0.189594 O\n0.876174 0.752349 0.189594 O\n0.460635 0.539363 0.867370 O\n0.333332 0.666666 0.442474 O\n0.117329 0.882670 0.569080 F\n0.117329 0.234660 0.569080 F\n0.765338 0.882669 0.569080 F\n",
"nsites": 19,
"nelements": 5,
"elements": [
"Ag",
"Mo",
"Cl",
"O",
"F"
],
"chemical_system": "Ag-Cl-F-Mo-O",
"density": 6.0443844305536825,
"density_atomic": 0.06627508707870361,
"volume": 286.6838934128739,
"volume_molar": 9.086582946090333,
"formula_full": "Ag6 Mo2 Cl1 O7 F3",
"formula_reduced": "Ag6Mo2ClO7F3",
"formula_anonymous": "AB2C3D6E7",
"energy_above_hull": 1.7126944618421054,
"spacegroup": 156
},
{
"id": "jvasp-26526",
"created_at": "2022-09-04T14:37:05.149884Z",
"updated_at": "2022-09-04T14:37:05.149901Z",
"structure_string": "Ba2 Fe2 S2 O1 F2\n1.0\n4.019145 0.002279 -0.830363\n-0.173833 4.015262 -0.830722\n-0.011514 -0.011502 10.086259\nBa Fe S O F\n2 2 2 1 2\ndirect\n0.335103 0.335108 0.670208 Ba\n0.664887 0.664888 0.329795 Ba\n0.500040 0.999999 0.999998 Fe\n0.999997 0.500017 0.000002 Fe\n0.914558 0.914564 0.829094 S\n0.085430 0.085432 0.170907 S\n0.499994 0.499998 -0.000002 O\n0.750001 0.250001 0.500005 F\n0.249990 0.749995 0.499997 F\n",
"nsites": 9,
"nelements": 5,
"elements": [
"Ba",
"Fe",
"S",
"O",
"F"
],
"chemical_system": "Ba-F-Fe-O-S",
"density": 5.148794833318944,
"density_atomic": 0.05531761868819541,
"volume": 162.69680823987764,
"volume_molar": 10.886478671369678,
"formula_full": "Ba2 Fe2 S2 O1 F2",
"formula_reduced": "Ba2Fe2S2OF2",
"formula_anonymous": "AB2C2D2E2",
"energy_above_hull": 1.3744507783333333,
"spacegroup": 139
},
{
"id": "jvasp-32151",
"created_at": "2022-09-04T14:36:54.488790Z",
"updated_at": "2022-09-04T14:36:54.488804Z",
"structure_string": "H6 Pb1 C1 N1 Cl3\n1.0\n5.701466 -0.000060 0.120984\n-0.000061 5.644089 0.000134\n0.122329 0.000141 5.777092\nH Pb C N Cl\n6 1 1 1 3\ndirect\n0.939945 0.999930 0.758004 H\n0.803881 0.159767 0.996698 H\n0.803836 0.840168 0.996738 H\n0.229496 0.149687 0.020615 H\n0.229468 0.850160 0.020632 H\n0.107129 0.999935 0.243173 H\n0.482203 0.499944 0.492384 Pb\n0.902360 0.999952 0.945536 C\n0.129992 0.999932 0.064428 N\n0.434075 0.499938 0.986918 Cl\n0.440091 0.999946 0.529317 Cl\n0.975511 0.499941 0.441336 Cl\n",
"nsites": 12,
"nelements": 5,
"elements": [
"H",
"Pb",
"C",
"N",
"Cl"
],
"chemical_system": "C-Cl-H-N-Pb",
"density": 3.088577816701079,
"density_atomic": 0.06457832169364755,
"volume": 185.82087123488094,
"volume_molar": 9.3253286893524,
"formula_full": "H6 Pb1 C1 N1 Cl3",
"formula_reduced": "H6PbCNCl3",
"formula_anonymous": "ABCD3E6",
"energy_above_hull": 2.7128505227083326,
"spacegroup": 6
},
{
"id": "jvasp-103900",
"created_at": "2022-09-04T14:37:01.870945Z",
"updated_at": "2022-09-04T14:37:01.870981Z",
"structure_string": "Al1 H16 C10 Cl1 O4\n1.0\n5.032582 -0.030513 0.212828\n0.800615 6.453481 1.987840\n0.146263 -0.043028 9.148401\nAl H C Cl O\n1 16 10 1 4\ndirect\n0.002348 0.682355 0.914988 Al\n0.771364 0.365385 0.380037 H\n0.486947 0.597098 0.490371 H\n0.649524 0.410852 0.644520 H\n0.226415 0.222171 0.697692 H\n0.075821 0.416045 0.544958 H\n0.731122 0.809320 0.248900 H\n0.448187 0.946493 0.310883 H\n0.440462 0.317646 0.366156 H\n0.866636 0.787577 0.490466 H\n0.810886 0.056488 0.621977 H\n0.497728 0.995354 0.580378 H\n0.361676 0.090729 0.017187 H\n0.579631 0.273539 0.908113 H\n0.612686 0.283573 0.163360 H\n0.914072 0.151747 0.117517 H\n0.013567 0.008431 0.383307 H\n0.569787 0.125321 0.996165 C\n0.699679 0.138678 0.141957 C\n0.675879 0.070418 0.527794 C\n0.819145 0.949415 0.421966 C\n0.663395 0.952086 0.280916 C\n0.502584 0.432647 0.555427 C\n0.598324 0.300635 0.448229 C\n0.135634 0.510006 0.738713 C\n0.728697 0.961171 0.940695 C\n0.230746 0.385546 0.631800 C\n0.145444 0.530825 0.139300 Cl\n0.251673 0.663395 0.752094 O\n0.980462 0.968756 0.901166 O\n0.639517 0.791201 0.940744 O\n0.929669 0.469955 0.828617 O\n",
"nsites": 32,
"nelements": 5,
"elements": [
"Al",
"H",
"C",
"Cl",
"O"
],
"chemical_system": "Al-C-Cl-H-O",
"density": 1.4658350509312699,
"density_atomic": 0.10754292077039213,
"volume": 297.55561566270933,
"volume_molar": 5.599755629529051,
"formula_full": "Al1 H16 C10 Cl1 O4",
"formula_reduced": "AlH16C10ClO4",
"formula_anonymous": "ABC4D10E16",
"energy_above_hull": 4.533833152109374,
"spacegroup": 1
},
{
"id": "jvasp-28968",
"created_at": "2022-09-04T14:36:54.964793Z",
"updated_at": "2022-09-04T14:36:54.964824Z",
"structure_string": "Te4 Mo1 W3 Se2 S2\n1.0\n3.404233 0.000000 0.000000\n-1.702116 2.948158 -0.000092\n0.000000 -0.001226 40.915441\nTe Mo W Se S\n4 1 3 2 2\ndirect\n0.333396 0.666796 0.705908 Te\n0.666648 0.333296 0.421506 Te\n0.666686 0.333373 0.513705 Te\n0.333341 0.666686 0.613912 Te\n0.666679 0.333361 0.281365 Mo\n0.333281 0.666564 0.093929 W\n0.333331 0.666666 0.467607 W\n0.666700 0.333402 0.660034 W\n0.333357 0.666718 0.321660 Se\n0.333339 0.666682 0.241132 Se\n0.666599 0.333199 0.057226 S\n0.666628 0.333259 0.130765 S\n",
"nsites": 12,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 5.580107826602969,
"density_atomic": 0.029222944800220578,
"volume": 410.63623402900254,
"volume_molar": 20.607576687324627,
"formula_full": "Te4 Mo1 W3 Se2 S2",
"formula_reduced": "Te4MoW3(SeS)2",
"formula_anonymous": "AB2C2D3E4",
"energy_above_hull": 4.039903641666666,
"spacegroup": 156
},
{
"id": "jvasp-101842",
"created_at": "2022-09-04T14:37:04.343228Z",
"updated_at": "2022-09-04T14:37:04.343253Z",
"structure_string": "H10 C18 S4 N2 O2\n1.0\n4.679759 -0.132615 -0.475027\n-0.718930 7.747461 -2.245204\n-0.227162 0.235148 10.587951\nH C S N O\n10 18 4 2 2\ndirect\n0.602214 0.834438 0.485368 H\n0.548799 0.915245 0.861605 H\n0.956860 0.068675 0.602727 H\n0.460720 0.066294 0.103178 H\n0.707139 0.579425 0.854382 H\n0.054061 0.912227 0.362020 H\n0.341197 0.330438 0.731447 H\n0.843028 0.329216 0.231664 H\n0.101908 0.834813 0.985552 H\n0.208669 0.578268 0.354404 H\n0.321370 0.062116 0.292751 C\n0.319415 0.444482 0.030840 C\n0.818534 0.444906 0.530729 C\n0.179221 0.314780 0.913768 C\n0.679255 0.314609 0.413823 C\n0.940450 0.812812 0.167156 C\n0.438450 0.813992 0.666838 C\n0.819593 0.063251 0.792480 C\n0.560955 0.573873 0.042134 C\n0.189405 0.265946 0.779037 C\n0.690775 0.265004 0.279220 C\n0.945646 0.772295 0.031681 C\n0.445199 0.772430 0.531461 C\n0.984034 0.123330 0.709215 C\n0.486338 0.121877 0.209522 C\n0.730834 0.634558 0.961184 C\n0.231090 0.634215 0.461072 C\n0.060150 0.574242 0.541962 C\n0.166324 0.687808 0.706385 S\n0.668891 0.686262 0.206710 S\n0.413902 0.182802 0.455052 S\n0.914315 0.182710 0.955025 S\n0.602336 0.930336 0.774168 N\n0.105468 0.928469 0.274538 N\n0.720736 0.443687 0.637257 O\n0.222533 0.442557 0.137456 O\n",
"nsites": 36,
"nelements": 5,
"elements": [
"H",
"C",
"S",
"N",
"O"
],
"chemical_system": "C-H-N-O-S",
"density": 1.790210341447246,
"density_atomic": 0.09362387704795544,
"volume": 384.51729553520096,
"volume_molar": 6.432270217687499,
"formula_full": "H10 C18 S4 N2 O2",
"formula_reduced": "H5C9S2NO",
"formula_anonymous": "ABC2D5E9",
"energy_above_hull": 5.484352041666666,
"spacegroup": 1
},
{
"id": "jvasp-45756",
"created_at": "2022-09-04T14:38:04.058576Z",
"updated_at": "2022-09-04T14:38:04.058601Z",
"structure_string": "Na6 Zn2 P2 C2 O14\n1.0\n0.000000 5.139280 -0.006815\n6.585838 0.000000 0.000000\n0.000000 0.007519 -8.994083\nNa Zn P C O\n6 2 2 2 14\ndirect\n0.241643 0.750000 0.085209 Na\n0.752735 0.000717 0.257800 Na\n0.752735 0.499283 0.257800 Na\n0.247265 0.500717 0.742200 Na\n0.247265 -0.000717 0.742200 Na\n0.758357 0.250000 0.914791 Na\n0.223541 0.250000 0.364987 Zn\n0.776459 0.750000 0.635013 Zn\n0.708431 0.250000 0.585390 P\n0.291569 0.750000 0.414610 P\n0.259756 0.250000 0.064098 C\n0.740244 0.750000 0.935902 C\n0.541318 0.750000 0.846370 O\n0.786433 0.062413 0.680152 O\n0.786433 0.437587 0.680152 O\n0.406420 0.250000 0.563496 O\n0.161284 0.750000 0.569349 O\n0.838716 0.250000 0.430651 O\n0.704205 0.750000 0.078808 O\n0.213567 0.562413 0.319848 O\n0.213567 0.937587 0.319848 O\n0.458682 0.250000 0.153630 O\n0.026838 0.250000 0.119048 O\n0.973162 0.750000 0.880952 O\n0.593580 0.750000 0.436504 O\n0.295795 0.250000 0.921192 O\n",
"nsites": 26,
"nelements": 5,
"elements": [
"Na",
"Zn",
"P",
"C",
"O"
],
"chemical_system": "C-Na-O-P-Zn",
"density": 3.156790125622078,
"density_atomic": 0.08540899567744795,
"volume": 304.41758264188604,
"volume_molar": 7.050944355724502,
"formula_full": "Na6 Zn2 P2 C2 O14",
"formula_reduced": "Na3ZnPCO7",
"formula_anonymous": "ABCD3E7",
"energy_above_hull": 1.938518261538463,
"spacegroup": 11
}
]
}