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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nelements&page=93",
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"results": [
{
"id": "jvasp-48011",
"created_at": "2022-09-04T14:35:55.461894Z",
"updated_at": "2022-09-04T14:35:55.461926Z",
"structure_string": "Li4 Mn2 Cr3 Co3 O16\n1.0\n5.668435 -0.004395 0.005322\n2.804418 4.925991 0.003057\n0.027524 0.020142 9.214438\nLi Mn Cr Co O\n4 2 3 3 16\ndirect\n0.332180 0.332183 0.107943 Li\n0.006704 0.006832 0.004932 Li\n0.004622 0.004546 0.502502 Li\n0.665300 0.665329 0.601919 Li\n0.331980 0.331972 0.508379 Mn\n0.665133 0.665188 0.013149 Mn\n0.172445 0.654895 0.786312 Cr\n0.654815 0.172521 0.786310 Cr\n0.826549 0.826516 0.285890 Cr\n0.831000 0.341433 0.287124 Co\n0.171523 0.171596 0.786939 Co\n0.341467 0.830968 0.287125 Co\n0.834530 0.834613 0.902419 O\n0.334208 0.832976 0.901060 O\n0.663594 0.663563 0.396196 O\n0.960796 0.517432 0.156418 O\n0.517446 0.960801 0.156433 O\n0.167501 0.167469 0.399047 O\n0.477592 0.037984 0.656746 O\n0.480550 0.480626 0.655482 O\n0.668537 0.164711 0.401347 O\n0.001740 0.001697 0.193799 O\n0.001140 0.001223 0.692419 O\n0.332549 0.332622 0.900521 O\n0.520192 0.520161 0.162645 O\n0.164757 0.668489 0.401332 O\n0.037948 0.477650 0.656735 O\n0.832887 0.334306 0.901038 O\n",
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],
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"density_atomic": 0.10877824133157668,
"volume": 257.40441890994265,
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"formula_full": "Li4 Mn2 Cr3 Co3 O16",
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{
"id": "jvasp-86093",
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"updated_at": "2022-09-04T14:35:40.779433Z",
"structure_string": "Rb1 La1 Si1 C4 N8\n1.0\n5.935384 0.000037 3.361248\n2.967867 5.977004 1.680417\n0.022499 -0.000249 6.881829\nRb La Si C N\n1 1 1 4 8\ndirect\n0.000011 -0.000001 0.000000 Rb\n0.750002 0.500001 0.500000 La\n0.249997 0.500002 0.499996 Si\n0.558462 0.082515 0.544098 C\n0.897439 0.544090 0.917496 C\n0.359024 0.455908 0.082507 C\n0.185076 0.917486 0.455904 C\n0.517059 0.389767 0.898106 N\n0.994564 0.469745 0.722513 N\n0.282906 0.722516 0.530278 N\n0.535702 0.277482 0.469717 N\n0.093197 0.101866 0.389735 N\n0.584799 0.898135 0.610268 N\n0.186820 0.530261 0.277494 N\n0.804944 0.610226 0.101893 N\n",
"nsites": 15,
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"elements": [
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"N"
],
"chemical_system": "C-La-N-Rb-Si",
"density": 2.8112602339335084,
"density_atomic": 0.06155469405796815,
"volume": 243.68572096019176,
"volume_molar": 9.783398085495712,
"formula_full": "Rb1 La1 Si1 C4 N8",
"formula_reduced": "RbLaSi(CN2)4",
"formula_anonymous": "ABCD4E8",
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"spacegroup": 82
},
{
"id": "jvasp-117037",
"created_at": "2022-09-04T14:38:49.350578Z",
"updated_at": "2022-09-04T14:38:49.350605Z",
"structure_string": "Ba3 Mg1 Ta1 Nb1 O9\n1.0\n5.826537 0.000000 0.000000\n-2.913269 5.045928 0.000000\n-0.000000 -0.000000 7.154280\nBa Mg Ta Nb O\n3 1 1 1 9\ndirect\n0.333333 0.666667 0.000606 Ba\n0.666667 0.333333 0.664473 Ba\n0.000000 0.000000 0.333792 Ba\n0.333333 0.666667 0.497143 Mg\n0.666667 0.333333 0.177428 Ta\n0.000000 0.000000 0.821081 Nb\n0.990552 0.495275 0.326455 O\n0.504725 0.495275 0.326455 O\n0.504725 0.009448 0.326455 O\n0.674349 0.837174 0.673839 O\n0.162826 0.837174 0.673839 O\n0.162826 0.325651 0.673839 O\n0.832156 0.167845 0.001531 O\n0.832156 0.664310 0.001531 O\n0.335690 0.167845 0.001531 O\n",
"nsites": 15,
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"elements": [
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],
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"density": 6.743075981340067,
"density_atomic": 0.07131383104250924,
"volume": 210.33787949295132,
"volume_molar": 8.444562116443135,
"formula_full": "Ba3 Mg1 Ta1 Nb1 O9",
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},
{
"id": "jvasp-120744",
"created_at": "2022-09-04T14:38:49.088078Z",
"updated_at": "2022-09-04T14:38:49.088088Z",
"structure_string": "Li4 Cr3 Co1 P4 O16\n1.0\n6.150023 -0.000000 0.000000\n0.000000 4.716065 0.035811\n-0.000000 0.004678 10.066731\nLi Cr Co P O\n4 3 1 4 16\ndirect\n0.255755 0.991452 0.004039 Li\n0.744245 0.991452 0.004039 Li\n0.741248 0.501505 0.493146 Li\n0.258751 0.501505 0.493146 Li\n0.500000 0.538429 0.782914 Cr\n-0.000000 0.457464 0.218891 Cr\n-0.000000 0.048601 0.717089 Cr\n0.500000 0.967629 0.278447 Co\n0.500000 0.084740 0.595559 P\n0.500000 0.418753 0.092437 P\n-0.000000 0.580165 0.906095 P\n-0.000000 0.916444 0.405783 P\n0.700615 0.219175 0.668089 O\n-0.000000 0.244687 0.398665 O\n-0.000000 0.253251 0.899687 O\n0.297133 0.283311 0.161957 O\n0.702866 0.283311 0.161957 O\n0.500000 0.294947 0.947836 O\n-0.000000 0.693534 0.051435 O\n0.201958 0.778323 0.338639 O\n0.201993 0.717735 0.837150 O\n0.500000 0.743892 0.090290 O\n0.500000 0.757213 0.602460 O\n0.798042 0.778323 0.338639 O\n0.299385 0.219175 0.668089 O\n-0.000000 0.809365 0.553359 O\n0.798006 0.717735 0.837150 O\n0.500000 0.207896 0.453004 O\n",
"nsites": 28,
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],
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"density_atomic": 0.09589911028288808,
"volume": 291.9735117187654,
"volume_molar": 6.279662806292553,
"formula_full": "Li4 Cr3 Co1 P4 O16",
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},
{
"id": "jvasp-104164",
"created_at": "2022-09-04T14:36:58.407127Z",
"updated_at": "2022-09-04T14:36:58.407154Z",
"structure_string": "H5 C6 S1 N1 O1\n1.0\n3.952645 -0.061503 -0.113383\n-2.398073 5.413692 -1.017654\n-0.086849 -0.004689 6.516146\nH C S N O\n5 6 1 1 1\ndirect\n0.863478 0.158449 0.026278 H\n0.469443 0.370324 0.814763 H\n0.136795 0.360977 0.453107 H\n0.515764 0.180471 0.180653 H\n0.227743 0.707873 0.911749 H\n0.288362 0.202096 0.703735 C\n0.106323 0.195409 0.512209 C\n0.881033 0.956148 0.400901 C\n0.201820 0.962362 0.741814 C\n0.597326 0.047782 0.081484 C\n0.644523 0.864915 0.208182 C\n0.898391 0.732467 0.537538 S\n0.312361 0.892979 0.908478 N\n0.464775 0.634599 0.138151 O\n",
"nsites": 14,
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"elements": [
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],
"chemical_system": "C-H-N-O-S",
"density": 1.6698958076222639,
"density_atomic": 0.10115959515799951,
"volume": 138.3951762374457,
"volume_molar": 5.953108798620751,
"formula_full": "H5 C6 S1 N1 O1",
"formula_reduced": "H5C6SNO",
"formula_anonymous": "ABCD5E6",
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},
{
"id": "jvasp-112848",
"created_at": "2022-09-04T14:38:44.873635Z",
"updated_at": "2022-09-04T14:38:44.873661Z",
"structure_string": "Li4 Mn3 Nb2 Cu3 O16\n1.0\n5.812650 0.045363 0.216469\n-2.747493 5.132120 -0.014689\n-0.050221 -0.001415 9.688529\nLi Mn Nb Cu O\n4 3 2 3 16\ndirect\n0.341239 0.681674 0.904635 Li\n0.980218 0.992914 0.993731 Li\n0.995097 0.991059 0.485354 Li\n0.680833 0.327257 0.404117 Li\n0.655408 0.832701 0.221632 Mn\n0.830899 0.661910 0.714369 Mn\n0.826368 0.161778 0.716864 Mn\n0.317658 0.637705 0.488142 Nb\n0.657101 0.343862 0.994873 Nb\n0.337928 0.166155 0.714349 Cu\n0.164424 0.831074 0.212582 Cu\n0.162138 0.336931 0.207674 Cu\n0.315226 0.193395 0.066749 O\n0.823717 0.667576 0.098734 O\n0.685800 0.346337 0.615174 O\n0.532549 0.046306 0.834620 O\n0.557206 0.532198 0.841271 O\n0.680984 0.845821 0.608335 O\n0.551864 0.566469 0.355807 O\n0.044174 0.483939 0.359405 O\n0.159146 0.313143 0.599569 O\n0.987821 0.986696 0.805527 O\n0.988361 0.003373 0.296591 O\n0.348139 0.672361 0.120024 O\n0.967059 0.476286 0.828853 O\n0.140548 0.804983 0.587553 O\n0.489614 0.966093 0.342616 O\n0.778493 0.130307 0.088690 O\n",
"nsites": 28,
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"elements": [
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],
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"density": 4.71942487772171,
"density_atomic": 0.09645703450266743,
"volume": 290.2846862789016,
"volume_molar": 6.24334014729995,
"formula_full": "Li4 Mn3 Nb2 Cu3 O16",
"formula_reduced": "Li4Mn3Nb2Cu3O16",
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},
{
"id": "jvasp-48932",
"created_at": "2022-09-04T14:35:52.588779Z",
"updated_at": "2022-09-04T14:35:52.588809Z",
"structure_string": "Li3 V1 Cr1 P4 O14\n1.0\n4.942688 -0.007049 0.022689\n-2.258042 6.635253 -0.010769\n-0.021402 -0.078883 8.180230\nLi V Cr P O\n3 1 1 4 14\ndirect\n0.829131 0.341626 0.137896 Li\n0.284692 0.092379 0.335758 Li\n0.167264 0.661842 0.648065 Li\n0.793840 0.277505 0.506680 V\n0.216066 0.727485 0.995185 Cr\n0.596348 0.477959 0.823477 P\n0.797105 0.913662 0.206607 P\n0.210744 0.082384 0.717254 P\n0.394673 0.522671 0.316375 P\n0.196828 0.497371 0.462993 O\n0.234780 0.512102 0.154853 O\n0.381753 0.593897 0.822596 O\n0.613603 0.912981 0.059327 O\n0.621678 0.745639 0.336620 O\n0.417798 0.241374 0.845943 O\n0.799113 0.525551 0.970498 O\n0.562530 0.371183 0.313060 O\n0.753526 0.499619 0.660156 O\n0.139444 0.879961 0.803198 O\n0.876632 0.113389 0.304280 O\n0.952288 0.147123 0.685081 O\n0.383126 0.080125 0.559295 O\n0.082668 0.877266 0.173699 O\n",
"nsites": 23,
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"elements": [
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],
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"density": 2.9206940817296223,
"density_atomic": 0.08577238858659052,
"volume": 268.15156228021584,
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"formula_full": "Li3 V1 Cr1 P4 O14",
"formula_reduced": "Li3VCr(P2O7)2",
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},
{
"id": "jvasp-101857",
"created_at": "2022-09-04T14:37:14.424975Z",
"updated_at": "2022-09-04T14:37:14.424990Z",
"structure_string": "H2 C2 S2 N2 O4\n1.0\n4.376879 0.009955 0.863280\n0.839695 5.170069 2.117028\n-0.059693 -0.078219 6.764145\nH C S N O\n2 2 2 2 4\ndirect\n0.635828 0.570563 0.259536 H\n0.635830 0.070568 0.759536 H\n0.092114 0.720396 0.266347 C\n0.092116 0.220401 0.766345 C\n0.179800 0.439912 0.234180 S\n0.179801 0.939916 0.734183 S\n0.601466 0.771887 0.184891 N\n0.601469 0.271891 0.684889 N\n0.804914 0.361010 0.779754 O\n0.804910 0.861003 0.279758 O\n0.294525 0.862029 0.276598 O\n0.294528 0.362035 0.776594 O\n",
"nsites": 12,
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"volume": 153.94095454108626,
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"formula_full": "H2 C2 S2 N2 O4",
"formula_reduced": "HCSNO2",
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"spacegroup": 1
},
{
"id": "jvasp-113234",
"created_at": "2022-09-04T14:38:44.588230Z",
"updated_at": "2022-09-04T14:38:44.588258Z",
"structure_string": "Li4 Co3 Sn1 P4 O16\n1.0\n5.899093 -0.000000 0.000000\n0.000000 4.750231 0.227287\n0.000000 0.270751 10.942796\nLi Co Sn P O\n4 3 1 4 16\ndirect\n0.250797 0.030480 0.014736 Li\n0.749203 0.030480 0.014736 Li\n0.759572 0.456582 0.480508 Li\n0.240427 0.456582 0.480508 Li\n-0.000000 0.002057 0.272807 Co\n-0.000000 0.540218 0.805797 Co\n0.500000 0.517977 0.218711 Co\n0.500000 0.024732 0.714988 Sn\n-0.000000 0.872702 0.578906 P\n-0.000000 0.593425 0.100064 P\n0.500000 0.464355 0.931849 P\n0.500000 0.051631 0.384470 P\n0.794355 0.734198 0.654595 O\n0.500000 0.729396 0.390002 O\n0.500000 0.785803 0.933706 O\n0.206668 0.718409 0.170114 O\n0.793331 0.718409 0.170114 O\n-0.000000 0.748314 0.969758 O\n0.500000 0.305846 0.061330 O\n0.290218 0.192621 0.315942 O\n0.285613 0.351525 0.865558 O\n-0.000000 0.271846 0.101083 O\n-0.000000 0.193510 0.572496 O\n0.709781 0.192621 0.315942 O\n0.205644 0.734198 0.654595 O\n0.500000 0.176887 0.511250 O\n0.714386 0.351525 0.865558 O\n-0.000000 0.753664 0.449888 O\n",
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],
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"density_atomic": 0.09142062916812226,
"volume": 306.27660578126284,
"volume_molar": 6.5872886839635525,
"formula_full": "Li4 Co3 Sn1 P4 O16",
"formula_reduced": "Li4Co3Sn(PO4)4",
"formula_anonymous": "AB3C4D4E16",
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"spacegroup": 6
},
{
"id": "jvasp-42756",
"created_at": "2022-09-04T14:35:51.867220Z",
"updated_at": "2022-09-04T14:35:51.867236Z",
"structure_string": "Li4 Ti3 Fe3 Ni2 O16\n1.0\n5.720309 -0.025324 -0.055332\n2.833907 4.969024 -0.054619\n-0.014987 -0.011580 9.482227\nLi Ti Fe Ni O\n4 3 3 2 16\ndirect\n0.325269 0.325232 0.106699 Li\n0.013792 0.013953 0.005002 Li\n0.013180 0.013278 0.501491 Li\n0.659873 0.659792 0.602082 Li\n0.164598 0.661224 0.785234 Ti\n0.661123 0.164242 0.785251 Ti\n0.833374 0.833352 0.286411 Ti\n0.343830 0.824601 0.287029 Fe\n0.824595 0.343826 0.287023 Fe\n0.170703 0.170971 0.788059 Fe\n0.332838 0.332886 0.508971 Ni\n0.666533 0.666498 0.015300 Ni\n0.839985 0.840009 0.900350 O\n0.328165 0.843994 0.895820 O\n0.664891 0.664927 0.396878 O\n0.956828 0.511137 0.163362 O\n0.511196 0.956786 0.163366 O\n0.163298 0.163331 0.388051 O\n0.471938 0.030576 0.663545 O\n0.478525 0.478504 0.661792 O\n0.678351 0.167410 0.397862 O\n0.005649 0.005590 0.189069 O\n0.001614 0.001715 0.684984 O\n0.334704 0.334853 0.900870 O\n0.513047 0.512994 0.170424 O\n0.167371 0.678392 0.397869 O\n0.030594 0.471977 0.663567 O\n0.843847 0.328247 0.895805 O\n",
"nsites": 28,
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],
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"density": 4.377353661470241,
"density_atomic": 0.10362666636163277,
"volume": 270.20072133061353,
"volume_molar": 5.811381347523176,
"formula_full": "Li4 Ti3 Fe3 Ni2 O16",
"formula_reduced": "Li4Ti3Fe3(NiO8)2",
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{
"id": "jvasp-116715",
"created_at": "2022-09-04T14:38:44.133760Z",
"updated_at": "2022-09-04T14:38:44.133777Z",
"structure_string": "Ba6 Zn2 Ru2 Ir2 O18\n1.0\n5.816679 0.000000 0.000000\n-2.908340 5.037391 0.000000\n-0.000000 -0.000000 14.261742\nBa Zn Ru Ir O\n6 2 2 2 18\ndirect\n0.000000 0.000000 0.249119 Ba\n0.000000 0.000000 0.750881 Ba\n0.333333 0.666666 0.587180 Ba\n0.666667 0.333333 0.412820 Ba\n0.666667 0.333333 0.085759 Ba\n0.333333 0.666666 0.914241 Ba\n0.000000 0.000000 0.500000 Zn\n0.000000 0.000000 0.000000 Zn\n0.666667 0.333333 0.657729 Ru\n0.333333 0.666666 0.342271 Ru\n0.333333 0.666666 0.161059 Ir\n0.666667 0.333333 0.838941 Ir\n0.172768 0.827232 0.415932 O\n0.345536 0.172768 0.584068 O\n0.827232 0.654464 0.584068 O\n0.827232 0.172768 0.584068 O\n0.342777 0.171388 0.915939 O\n0.828612 0.657222 0.915939 O\n0.828612 0.171388 0.915939 O\n0.657223 0.828612 0.084061 O\n0.019764 0.509882 0.251677 O\n0.171388 0.828612 0.084061 O\n0.980236 0.490118 0.748323 O\n0.509882 0.019764 0.748323 O\n0.509882 0.490118 0.748323 O\n0.172768 0.345536 0.415932 O\n0.490118 0.980236 0.251677 O\n0.490118 0.509882 0.251677 O\n0.171388 0.342777 0.084061 O\n0.654464 0.827232 0.415932 O\n",
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"elements": [
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"Ru",
"Ir",
"O"
],
"chemical_system": "Ba-Ir-O-Ru-Zn",
"density": 7.269272558575496,
"density_atomic": 0.0717906556610185,
"volume": 417.88168284259945,
"volume_molar": 8.38847438367937,
"formula_full": "Ba6 Zn2 Ru2 Ir2 O18",
"formula_reduced": "Ba3ZnIrRuO9",
"formula_anonymous": "ABCD3E9",
"energy_above_hull": 2.226654094,
"spacegroup": 164
},
{
"id": "jvasp-24258",
"created_at": "2022-09-04T14:37:47.649659Z",
"updated_at": "2022-09-04T14:37:47.649671Z",
"structure_string": "Zn4 Si6 Pb8 S2 O30\n1.0\n0.000000 11.366614 -0.008199\n5.265544 0.000000 0.000000\n0.000000 -3.899575 -12.071694\nZn Si Pb S O\n4 6 8 2 30\ndirect\n0.641320 0.016177 0.612717 Zn\n0.917615 0.995900 0.355543 Zn\n0.082384 0.495901 0.644456 Zn\n0.358679 0.516177 0.387283 Zn\n0.362297 0.441068 0.816547 Si\n0.923043 0.983831 0.624184 Si\n0.076956 0.483831 0.375816 Si\n0.637702 0.941067 0.183453 Si\n0.486553 0.015190 0.346946 Si\n0.513446 0.515189 0.653053 Si\n0.814782 0.488078 0.127928 Pb\n0.849447 0.492581 0.783457 Pb\n0.545775 0.954405 0.884581 Pb\n0.150552 0.992581 0.216543 Pb\n0.454224 0.454406 0.115419 Pb\n0.267467 0.087514 0.565709 Pb\n0.732532 0.587514 0.434290 Pb\n0.185217 0.988078 0.872071 Pb\n0.145510 0.508877 0.031012 S\n0.854489 0.008877 0.968988 S\n0.397061 0.419377 0.547048 O\n0.055514 0.839840 0.687166 O\n0.103712 0.512687 0.907081 O\n0.476676 0.323905 0.334111 O\n0.596555 0.768458 0.070215 O\n0.235542 0.724675 0.069179 O\n0.403444 0.268458 0.929785 O\n0.523323 0.823905 0.665889 O\n0.214894 0.267885 0.069965 O\n0.896287 0.012687 0.092919 O\n0.957298 0.035268 0.922919 O\n0.064433 0.793170 0.356889 O\n0.356605 0.881872 0.350694 O\n0.481069 0.404801 0.765236 O\n0.602938 0.919376 0.452952 O\n0.935566 0.293170 0.643111 O\n0.654965 0.241589 0.164046 O\n0.239572 0.308309 0.727855 O\n0.643394 0.381873 0.649305 O\n0.117641 0.403016 0.507655 O\n0.518930 0.904800 0.234764 O\n0.764457 0.224675 0.930821 O\n0.811435 0.875814 0.670723 O\n0.760427 0.808309 0.272145 O\n0.345034 0.741588 0.835953 O\n0.944486 0.339841 0.312834 O\n0.188564 0.375815 0.329277 O\n0.785105 0.767885 0.930034 O\n0.042701 0.535268 0.077081 O\n0.882358 0.903015 0.492344 O\n",
"nsites": 50,
"nelements": 5,
"elements": [
"Zn",
"Si",
"Pb",
"S",
"O"
],
"chemical_system": "O-Pb-S-Si-Zn",
"density": 6.047394290140247,
"density_atomic": 0.0691872778597164,
"volume": 722.6762137018834,
"volume_molar": 8.704115765633166,
"formula_full": "Zn4 Si6 Pb8 S2 O30",
"formula_reduced": "Zn2Si3Pb4SO15",
"formula_anonymous": "AB2C3D4E15",
"energy_above_hull": 2.2334056952,
"spacegroup": 4
}
]
}