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=408",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nsites&page=406",
"results": [
{
"id": "jvasp-112095",
"created_at": "2022-09-04T14:38:42.830791Z",
"updated_at": "2022-09-04T14:38:42.830819Z",
"structure_string": "H4 C12 S4 O4\n1.0\n3.945378 0.047210 -0.045973\n-1.545580 7.905218 -2.008017\n0.040405 0.141552 9.896256\nH C S O\n4 12 4 4\ndirect\n0.271001 0.557465 0.264412 H\n0.771036 0.057468 0.764418 H\n0.532110 0.760034 0.106233 H\n0.032159 0.260036 0.606241 H\n0.710128 0.692337 0.637900 C\n0.210135 0.192333 0.137901 C\n0.282744 0.077474 0.331688 C\n0.782722 0.577473 0.831686 C\n0.350043 0.346007 0.098135 C\n0.850050 0.846009 0.598136 C\n0.607067 0.534978 0.951959 C\n0.001644 0.123668 0.576320 C\n0.501610 0.623666 0.076315 C\n0.863771 0.015543 0.661525 C\n0.363745 0.515540 0.161520 C\n0.107088 0.034980 0.451961 C\n0.523013 0.320704 0.936742 S\n0.023013 0.820706 0.436742 S\n0.585691 0.513752 0.524124 S\n0.085704 0.013747 0.024127 S\n0.685570 0.708691 0.781879 O\n0.990284 0.496494 0.772736 O\n0.490305 0.996497 0.272739 O\n0.185586 0.208690 0.281880 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"H",
"C",
"S",
"O"
],
"chemical_system": "C-H-O-S",
"density": 1.820423525768931,
"density_atomic": 0.07728983389433863,
"volume": 310.51949254813917,
"volume_molar": 7.791633720202771,
"formula_full": "H4 C12 S4 O4",
"formula_reduced": "HC3SO",
"formula_anonymous": "ABCD3",
"energy_above_hull": 4.601748916666667,
"spacegroup": 1
},
{
"id": "jvasp-59055",
"created_at": "2022-09-04T14:38:36.366762Z",
"updated_at": "2022-09-04T14:38:36.366787Z",
"structure_string": "Li2 Sb6 O16\n1.0\n0.000000 5.685921 0.010606\n4.758791 0.000000 0.000000\n0.000000 -1.176529 -10.358481\nLi Sb O\n2 6 16\ndirect\n-0.000000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 -0.000000 Sb\n0.500000 0.000000 0.500000 Sb\n0.763901 0.979126 0.248786 Sb\n0.236099 0.479126 0.251214 Sb\n0.236099 0.020874 0.751213 Sb\n0.763900 0.520874 0.748786 Sb\n0.986314 0.689999 0.325707 O\n0.013685 0.189999 0.174292 O\n0.721359 0.793971 0.078620 O\n0.278641 0.293972 0.421380 O\n0.278641 0.206028 0.921379 O\n0.721359 0.706028 0.578620 O\n0.521080 0.282897 0.174042 O\n0.764552 0.173122 0.418422 O\n0.478919 0.717103 0.825958 O\n0.521080 0.217103 0.674042 O\n0.986314 0.810001 0.825707 O\n0.235447 0.673122 0.081578 O\n0.235447 0.826878 0.581577 O\n0.764552 0.326878 0.918422 O\n0.478919 0.782897 0.325958 O\n0.013685 0.310001 0.674292 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Li",
"Sb",
"O"
],
"chemical_system": "Li-O-Sb",
"density": 5.928370537884714,
"density_atomic": 0.08564652292888474,
"volume": 280.22153356917977,
"volume_molar": 7.031389663069441,
"formula_full": "Li2 Sb6 O16",
"formula_reduced": "LiSb3O8",
"formula_anonymous": "AB3C8",
"energy_above_hull": 2.387950525000001,
"spacegroup": 14
},
{
"id": "jvasp-120448",
"created_at": "2022-09-04T14:38:37.961454Z",
"updated_at": "2022-09-04T14:38:37.961479Z",
"structure_string": "Cu8 Sn4 Se12\n1.0\n7.022913 0.000799 0.596154\n-3.582293 6.040570 0.596154\n-0.025135 -0.044135 13.546161\nCu Sn Se\n8 4 12\ndirect\n0.085559 0.918899 0.742383 Cu\n0.918898 0.085559 0.242383 Cu\n0.232150 0.739928 0.241350 Cu\n0.739927 0.232151 0.741350 Cu\n0.152786 0.315137 0.492013 Cu\n0.315136 0.152787 0.992013 Cu\n0.838142 0.659359 0.490858 Cu\n0.659359 0.838143 0.990858 Cu\n0.427520 0.573763 0.748958 Sn\n0.573762 0.427520 0.248958 Sn\n0.493106 0.004433 0.500098 Sn\n0.004432 0.493107 0.000098 Sn\n0.751693 0.911500 0.810624 Se\n0.114517 0.968707 0.561674 Se\n0.968706 0.114517 0.061674 Se\n0.477369 0.617630 0.548078 Se\n0.617630 0.477370 0.048078 Se\n0.557312 0.040909 0.298799 Se\n0.040908 0.557313 0.798799 Se\n0.832151 0.329153 0.560919 Se\n0.329153 0.832152 0.060919 Se\n0.394389 0.197493 0.811541 Se\n0.197492 0.394389 0.311541 Se\n0.911500 0.751693 0.310624 Se\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Cu",
"Sn",
"Se"
],
"chemical_system": "Cu-Se-Sn",
"density": 5.575069451661084,
"density_atomic": 0.04173412681179095,
"volume": 575.0689383830451,
"volume_molar": 14.429775390193601,
"formula_full": "Cu8 Sn4 Se12",
"formula_reduced": "Cu2SnSe3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.6438887833333333,
"spacegroup": 9
},
{
"id": "jvasp-12820",
"created_at": "2022-09-04T14:38:30.916998Z",
"updated_at": "2022-09-04T14:38:30.917026Z",
"structure_string": "Na12 Tl4 O8\n1.0\n5.332024 -0.000000 0.000000\n0.000000 6.756714 0.000000\n0.000000 0.000000 11.548850\nNa Tl O\n12 4 8\ndirect\n0.744626 0.002067 0.333418 Na\n0.744626 0.497933 0.333418 Na\n0.755373 0.497933 0.833418 Na\n0.255374 0.502066 0.666582 Na\n0.750563 0.250000 0.576283 Na\n0.250563 0.750000 0.923717 Na\n0.244626 0.997933 0.166582 Na\n0.749436 0.250000 0.076283 Na\n0.255374 0.997933 0.666582 Na\n0.755373 0.002067 0.833418 Na\n0.244626 0.502066 0.166582 Na\n0.249436 0.750000 0.423717 Na\n0.252830 0.250000 0.409028 Tl\n0.752830 0.750000 0.090972 Tl\n0.747169 0.750000 0.590972 Tl\n0.247169 0.250000 0.909028 Tl\n0.500000 0.000000 0.500000 O\n0.492425 0.750000 0.759487 O\n0.992424 0.250000 0.740513 O\n0.507575 0.250000 0.240513 O\n0.007575 0.750000 0.259487 O\n0.500000 0.500000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.000000 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Na",
"Tl",
"O"
],
"chemical_system": "Na-O-Tl",
"density": 4.874641066641333,
"density_atomic": 0.05768260551132105,
"volume": 416.06997096013026,
"volume_molar": 10.440133046379238,
"formula_full": "Na12 Tl4 O8",
"formula_reduced": "Na3TlO2",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.1932035833333335,
"spacegroup": 62
},
{
"id": "jvasp-111923",
"created_at": "2022-09-04T14:38:42.690072Z",
"updated_at": "2022-09-04T14:38:42.690102Z",
"structure_string": "Li4 Ni6 O2 F12\n1.0\n5.543691 -0.006718 2.119496\n0.319336 5.972181 2.575446\n-0.059686 0.011177 7.811783\nLi Ni O F\n4 6 2 12\ndirect\n0.316238 0.855772 0.468492 Li\n0.126114 0.301046 0.069506 Li\n0.873886 0.698955 0.930495 Li\n0.683762 0.144228 0.531509 Li\n0.781454 0.569634 0.655440 Ni\n0.925421 0.837139 0.220114 Ni\n0.352424 0.726079 0.931171 Ni\n0.647576 0.273921 0.068830 Ni\n0.074579 0.162861 0.779887 Ni\n0.218546 0.430366 0.344561 Ni\n0.068567 0.584906 0.136270 O\n0.931433 0.415094 0.863731 O\n0.539735 0.563061 0.133976 F\n0.095656 0.705778 0.436793 F\n0.460265 0.436939 0.866025 F\n0.626593 0.719354 0.438514 F\n0.771585 0.986713 0.000578 F\n0.173184 0.863510 0.727609 F\n0.323279 0.153316 0.270060 F\n0.676721 0.846684 0.729940 F\n0.826816 0.136490 0.272392 F\n0.228415 0.013287 0.999423 F\n0.373406 0.280646 0.561487 F\n0.904343 0.294222 0.563207 F\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Ni",
"O",
"F"
],
"chemical_system": "F-Li-Ni-O",
"density": 4.098640189492504,
"density_atomic": 0.09257358606191927,
"volume": 259.2532170455969,
"volume_molar": 6.505247356380899,
"formula_full": "Li4 Ni6 O2 F12",
"formula_reduced": "Li2Ni3OF6",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 0.4472268662500001,
"spacegroup": 2
},
{
"id": "jvasp-19306",
"created_at": "2022-09-04T14:38:35.916526Z",
"updated_at": "2022-09-04T14:38:35.916555Z",
"structure_string": "Zn6 Cr4 O14\n1.0\n5.098859 0.000000 0.000000\n-0.000000 4.923794 -1.328114\n0.000000 -0.077150 9.505162\nZn Cr O\n6 4 14\ndirect\n0.718596 0.744945 0.000000 Zn\n0.218596 0.255054 0.000000 Zn\n0.793545 0.571215 0.600896 Zn\n0.293545 0.428785 0.399104 Zn\n0.793545 0.970317 0.399104 Zn\n0.293545 0.029683 0.600896 Zn\n0.754105 0.352768 0.202961 Cr\n0.254105 0.647231 0.797039 Cr\n0.254105 0.850193 0.202962 Cr\n0.754105 0.149806 0.797039 Cr\n0.319426 0.637092 0.000000 O\n0.819426 0.362907 0.000000 O\n0.437090 0.148143 0.154170 O\n0.937090 0.851857 0.845830 O\n0.071806 0.552092 0.254243 O\n0.571806 0.447908 0.745757 O\n0.184445 0.054462 0.404093 O\n0.071806 0.297849 0.745757 O\n0.684445 0.349632 0.404094 O\n0.184445 0.650367 0.595907 O\n0.937090 0.006027 0.154170 O\n0.684445 0.945537 0.595907 O\n0.571806 0.702150 0.254243 O\n0.437090 -0.006026 0.845830 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Zn",
"Cr",
"O"
],
"chemical_system": "Cr-O-Zn",
"density": 5.749397577745836,
"density_atomic": 0.10079307597351966,
"volume": 238.1115941565795,
"volume_molar": 5.974756402495481,
"formula_full": "Zn6 Cr4 O14",
"formula_reduced": "Zn3Cr2O7",
"formula_anonymous": "A2B3C7",
"energy_above_hull": 2.061978375,
"spacegroup": 36
},
{
"id": "jvasp-116554",
"created_at": "2022-09-04T14:38:43.973092Z",
"updated_at": "2022-09-04T14:38:43.973120Z",
"structure_string": "Nd2 Co18 Si4\n1.0\n7.425774 0.002912 -1.310001\n-5.227157 5.274367 -1.310001\n-0.001213 -0.002912 7.540439\nNd Co Si\n2 18 4\ndirect\n0.000000 0.000000 0.000000 Nd\n0.250000 0.750001 0.500000 Nd\n0.896045 0.565501 0.081700 Co\n0.896045 0.814346 0.330545 Co\n0.815500 0.646046 0.581700 Co\n0.815500 0.233801 0.169455 Co\n0.483801 0.565501 0.669455 Co\n0.483801 0.814346 0.918301 Co\n0.064346 0.646046 0.830545 Co\n0.064346 0.233801 0.418300 Co\n0.353954 0.184500 0.418300 Co\n0.434500 0.103955 0.918301 Co\n0.434499 0.516200 0.330545 Co\n0.766199 0.184500 0.830545 Co\n0.766199 0.935655 0.581700 Co\n0.185655 0.103955 0.669455 Co\n0.185654 0.516200 0.081700 Co\n0.500000 0.500000 0.000000 Co\n0.750000 0.250000 0.500000 Co\n0.353954 0.935655 0.169455 Co\n0.625000 0.375000 0.750000 Si\n0.125000 0.375000 0.750000 Si\n0.625000 0.875000 0.250000 Si\n0.625000 0.375000 0.250000 Si\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Nd",
"Co",
"Si"
],
"chemical_system": "Co-Nd-Si",
"density": 8.21656765507047,
"density_atomic": 0.08124881954039812,
"volume": 295.38890701134244,
"volume_molar": 7.411973237353562,
"formula_full": "Nd2 Co18 Si4",
"formula_reduced": "NdCo9Si2",
"formula_anonymous": "AB2C9",
"energy_above_hull": 3.7870289,
"spacegroup": 141
},
{
"id": "jvasp-49223",
"created_at": "2022-09-04T14:38:35.902225Z",
"updated_at": "2022-09-04T14:38:35.902245Z",
"structure_string": "Na4 Si6 O14\n1.0\n4.874103 -0.000000 -0.000000\n-2.437051 4.401693 -0.965070\n-0.000000 0.033048 11.580026\nNa Si O\n4 6 14\ndirect\n0.852011 0.297334 0.184230 Na\n0.554677 0.702665 0.315770 Na\n0.147989 0.702665 0.815770 Na\n0.445322 0.297335 0.684230 Na\n0.171293 0.914314 0.114705 Si\n0.828707 0.085686 0.885295 Si\n0.743020 0.914314 0.614705 Si\n-0.000000 0.500000 0.500000 Si\n0.500000 0.500000 -0.000000 Si\n0.256979 0.085686 0.385295 Si\n0.925074 0.719234 0.629151 O\n0.205839 0.280766 0.870850 O\n0.643676 0.000000 0.750000 O\n0.316165 0.729860 0.033444 O\n0.586304 0.270139 0.466556 O\n0.683834 0.270139 0.966556 O\n0.413695 0.729861 0.533444 O\n0.003148 0.752834 0.410466 O\n0.250314 0.247166 0.089534 O\n0.996852 0.247166 0.589535 O\n0.749686 0.752834 0.910466 O\n0.356323 0.000000 0.250000 O\n0.794160 0.719234 0.129151 O\n0.074925 0.280766 0.370849 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Na",
"Si",
"O"
],
"chemical_system": "Na-O-Si",
"density": 3.2360459089874696,
"density_atomic": 0.09654184565825624,
"volume": 248.59686321884115,
"volume_molar": 6.237855428326368,
"formula_full": "Na4 Si6 O14",
"formula_reduced": "Na2Si3O7",
"formula_anonymous": "A2B3C7",
"energy_above_hull": 2.304623191666667,
"spacegroup": 15
},
{
"id": "jvasp-116697",
"created_at": "2022-09-04T14:38:43.863571Z",
"updated_at": "2022-09-04T14:38:43.863590Z",
"structure_string": "K4 P1 Se3 O16\n1.0\n7.117266 0.678903 0.635323\n0.911315 7.211958 2.217903\n0.071991 -0.009931 7.373906\nK P Se O\n4 1 3 16\ndirect\n0.397245 0.685546 0.795078 K\n0.603631 0.306601 0.207297 K\n0.016437 0.241985 0.734963 K\n0.984623 0.760526 0.261672 K\n0.520925 0.206410 0.716755 P\n0.897911 0.736673 0.780835 Se\n0.098121 0.269718 0.212800 Se\n0.491547 0.784438 0.285774 Se\n0.595586 0.956865 0.165008 O\n0.411918 0.053682 0.815574 O\n-0.007271 0.137119 0.132064 O\n0.011357 0.861023 0.864423 O\n0.619684 0.634132 0.462883 O\n0.394712 0.338463 0.553279 O\n0.232504 0.391659 0.054488 O\n0.267519 0.902397 0.416000 O\n0.271557 0.092599 0.404528 O\n0.728321 0.919883 0.593595 O\n0.036743 0.613885 0.648023 O\n0.725285 0.107557 0.613039 O\n0.381927 0.683764 0.169872 O\n0.602946 0.307583 0.826514 O\n0.762829 0.616870 0.941529 O\n-0.046048 0.390623 0.344001 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"K",
"P",
"Se",
"O"
],
"chemical_system": "K-O-P-Se",
"density": 3.0213006839749363,
"density_atomic": 0.06419417345724344,
"volume": 373.8657063009809,
"volume_molar": 9.38113295283886,
"formula_full": "K4 P1 Se3 O16",
"formula_reduced": "K4PSe3O16",
"formula_anonymous": "AB3C4D16",
"energy_above_hull": 2.182648066666667,
"spacegroup": 1
},
{
"id": "jvasp-113223",
"created_at": "2022-09-04T14:38:42.751722Z",
"updated_at": "2022-09-04T14:38:42.751757Z",
"structure_string": "Li4 Mn4 Al4 O12\n1.0\n5.116860 0.267697 -1.402088\n2.494814 5.094029 -1.648648\n0.355212 -0.209459 10.001530\nLi Mn Al O\n4 4 4 12\ndirect\n0.632051 0.444156 0.873799 Li\n0.132053 0.944154 0.373799 Li\n0.367948 0.555844 0.126200 Li\n0.867946 0.055847 0.626201 Li\n0.958140 0.463922 0.202782 Mn\n0.041859 0.536079 0.797217 Mn\n0.458137 0.963923 0.702781 Mn\n0.541861 0.036078 0.297218 Mn\n0.207845 0.035607 0.956454 Al\n0.707844 0.535604 0.456454 Al\n0.792154 0.964394 0.043546 Al\n0.292154 0.464397 0.543545 Al\n0.179912 0.748877 0.967207 O\n0.439833 0.317140 0.697398 O\n0.939833 0.817139 0.197396 O\n0.560166 0.682861 0.302601 O\n0.060166 0.182861 0.802603 O\n0.615466 0.811441 0.895252 O\n0.115466 0.311439 0.395252 O\n0.384532 0.188560 0.104748 O\n0.884532 0.688562 0.604748 O\n0.820086 0.251123 0.032793 O\n0.320086 0.751123 0.532793 O\n0.679912 0.248878 0.467207 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Al",
"O"
],
"chemical_system": "Al-Li-Mn-O",
"density": 3.5598186014655937,
"density_atomic": 0.0939847402187516,
"volume": 255.36060369097643,
"volume_molar": 6.407572916606816,
"formula_full": "Li4 Mn4 Al4 O12",
"formula_reduced": "LiMnAlO3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 2.160308423563218,
"spacegroup": 2
},
{
"id": "jvasp-44591",
"created_at": "2022-09-04T14:38:32.350206Z",
"updated_at": "2022-09-04T14:38:32.350245Z",
"structure_string": "Na4 Cr2 C2 S2 O14\n1.0\n0.000000 5.076371 0.036773\n7.240806 0.000000 0.000000\n0.000000 -0.171189 -8.657943\nNa Cr C S O\n4 2 2 2 14\ndirect\n0.758795 -0.002054 0.218458 Na\n0.758795 0.502054 0.218458 Na\n0.241205 0.497947 0.781542 Na\n0.241205 0.002054 0.781542 Na\n0.215417 0.250000 0.365641 Cr\n0.784582 0.750000 0.634359 Cr\n0.278559 0.250000 0.085455 C\n0.721441 0.750000 0.914545 C\n0.280387 0.750000 0.396838 S\n0.719612 0.250000 0.603162 S\n0.525681 0.750000 0.810652 O\n0.798591 0.082226 0.687580 O\n0.798591 0.417774 0.687580 O\n0.162179 0.750000 0.554296 O\n0.422863 0.250000 0.577152 O\n0.577136 0.750000 0.422848 O\n0.046374 0.250000 0.149335 O\n0.201409 0.582226 0.312421 O\n0.201409 0.917775 0.312421 O\n0.474319 0.250000 0.189348 O\n0.953625 0.750000 0.850665 O\n0.687818 0.750000 0.057533 O\n0.837820 0.250000 0.445704 O\n0.312181 0.250000 0.942467 O\n",
"nsites": 24,
"nelements": 5,
"elements": [
"Na",
"Cr",
"C",
"S",
"O"
],
"chemical_system": "C-Cr-Na-O-S",
"density": 2.6515548853579802,
"density_atomic": 0.07542554589760131,
"volume": 318.19458135023257,
"volume_molar": 7.984218991501547,
"formula_full": "Na4 Cr2 C2 S2 O14",
"formula_reduced": "Na2CrCSO7",
"formula_anonymous": "ABCD2E7",
"energy_above_hull": 2.7261691583333327,
"spacegroup": 11
},
{
"id": "jvasp-55221",
"created_at": "2022-09-04T14:38:35.891306Z",
"updated_at": "2022-09-04T14:38:35.891341Z",
"structure_string": "Tb16 In4 Rh4\n1.0\n8.339008 -0.000000 4.814529\n2.779670 7.862092 4.814529\n-0.000000 -0.000000 9.629058\nTb In Rh\n16 4 4\ndirect\n0.810209 0.189791 0.810209 Tb\n0.437834 0.437834 0.062166 Tb\n0.810209 0.189791 0.189791 Tb\n0.650191 0.049427 0.650191 Tb\n0.437834 0.062166 0.062166 Tb\n0.062166 0.062166 0.437834 Tb\n0.650191 0.650191 0.049427 Tb\n0.810209 0.810209 0.189791 Tb\n0.062166 0.437834 0.437834 Tb\n0.650191 0.650191 0.650191 Tb\n0.437834 0.062166 0.437834 Tb\n0.062166 0.437834 0.062166 Tb\n0.049427 0.650191 0.650191 Tb\n0.189791 0.810209 0.189791 Tb\n0.189791 0.810209 0.810209 Tb\n0.189791 0.189791 0.810209 Tb\n0.416912 0.416912 0.416912 In\n0.416912 0.749264 0.416912 In\n0.749264 0.416912 0.416912 In\n0.416912 0.416912 0.749264 In\n0.857641 0.427079 0.857641 Rh\n0.427080 0.857640 0.857641 Rh\n0.857641 0.857640 0.857641 Rh\n0.857641 0.857640 0.427080 Rh\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Tb",
"In",
"Rh"
],
"chemical_system": "In-Rh-Tb",
"density": 8.979209077859139,
"density_atomic": 0.03801674476502223,
"volume": 631.3007636067118,
"volume_molar": 15.8407585847296,
"formula_full": "Tb16 In4 Rh4",
"formula_reduced": "Tb4InRh",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.4071394283333336,
"spacegroup": 216
}
]
}