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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=159",
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"results": [
{
"id": "jvasp-119026",
"created_at": "2022-09-04T14:38:32.746759Z",
"updated_at": "2022-09-04T14:38:32.746787Z",
"structure_string": "Tl2 Bi4 Cl14\n1.0\n6.546115 0.023358 2.113671\n1.924936 8.274065 2.146782\n0.033596 0.093729 10.699076\nTl Bi Cl\n2 4 14\ndirect\n0.082171 0.664766 0.129354 Tl\n0.917830 0.335235 0.870645 Tl\n0.319550 0.126354 0.166837 Bi\n0.680451 0.873647 0.833163 Bi\n0.416857 0.753265 0.534240 Bi\n0.583145 0.246736 0.465759 Bi\n0.306600 0.445049 0.626976 Cl\n0.693402 0.554952 0.373023 Cl\n0.730854 0.653377 0.667912 Cl\n0.269147 0.346624 0.332087 Cl\n0.644170 0.956168 0.349456 Cl\n0.355832 0.043833 0.650543 Cl\n0.091191 0.746148 0.802591 Cl\n0.164528 0.852125 0.366298 Cl\n0.362206 0.370324 0.970272 Cl\n0.908810 0.253853 0.197409 Cl\n0.255962 0.990580 0.985373 Cl\n0.744040 0.009421 0.014627 Cl\n0.835474 0.147876 0.633702 Cl\n0.637796 0.629677 0.029727 Cl\n",
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"spacegroup": 2
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{
"id": "jvasp-22454",
"created_at": "2022-09-04T14:38:32.833433Z",
"updated_at": "2022-09-04T14:38:32.833446Z",
"structure_string": "Tc8 P12\n1.0\n6.418202 -0.001074 0.003797\n-1.605027 6.166440 0.008280\n-1.586482 -1.190190 7.470326\nTc P\n8 12\ndirect\n0.907570 0.415762 0.147017 Tc\n0.092430 0.584239 0.852984 Tc\n0.373891 0.417754 0.138622 Tc\n0.626109 0.582247 0.861379 Tc\n0.532441 0.860067 0.361829 Tc\n0.467559 0.139934 0.638172 Tc\n0.083237 0.868951 0.370519 Tc\n0.916763 0.131050 0.629482 Tc\n0.459865 0.809827 0.034468 P\n0.540135 0.190174 0.965533 P\n0.629728 0.850684 0.678259 P\n0.370272 0.149317 0.321742 P\n0.140284 0.872557 0.683047 P\n0.264050 0.418982 0.641653 P\n0.764659 0.439530 0.616083 P\n0.235341 0.560470 0.383918 P\n0.033493 0.180973 0.957172 P\n0.735950 0.581019 0.358348 P\n0.859716 0.127444 0.316954 P\n0.966507 0.819028 0.042829 P\n",
"nsites": 20,
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"elements": [
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"density_atomic": 0.06762438667831497,
"volume": 295.7512959805279,
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"formula_full": "Tc8 P12",
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"formula_anonymous": "A2B3",
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"spacegroup": 2
},
{
"id": "jvasp-119424",
"created_at": "2022-09-04T14:38:33.152830Z",
"updated_at": "2022-09-04T14:38:33.152857Z",
"structure_string": "Li5 Ti2 Fe3 O10\n1.0\n4.823547 -0.009402 1.617873\n0.330038 4.704429 1.687098\n0.019949 0.073185 7.630693\nLi Ti Fe O\n5 2 3 10\ndirect\n0.502553 0.783685 0.409874 Li\n0.517458 0.585695 0.789040 Li\n0.998007 0.501480 0.501450 Li\n0.493433 0.219349 0.592938 Li\n0.478646 0.417179 0.213791 Li\n0.005916 0.876117 0.705011 Ti\n0.990096 0.127007 0.297674 Ti\n0.997327 0.696961 0.101094 Fe\n-0.001255 0.306039 0.901851 Fe\n0.497845 0.001354 0.001426 Fe\n0.228104 0.134613 0.451823 O\n0.224523 0.961676 0.858294 O\n0.767889 0.868424 0.551053 O\n0.757932 0.637150 0.956356 O\n0.227263 0.765537 0.242682 O\n0.241753 0.553222 0.661261 O\n0.754272 0.449804 0.341636 O\n0.768762 0.237373 0.760333 O\n0.238232 0.365921 0.046517 O\n0.771420 0.041332 0.144556 O\n",
"nsites": 20,
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"elements": [
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"density": 4.409285094150263,
"density_atomic": 0.1159615322342129,
"volume": 172.47098770310373,
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"formula_full": "Li5 Ti2 Fe3 O10",
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"formula_anonymous": "A2B3C5D10",
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"spacegroup": 2
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{
"id": "jvasp-116739",
"created_at": "2022-09-04T14:38:33.228814Z",
"updated_at": "2022-09-04T14:38:33.228839Z",
"structure_string": "Ba6 Ru6 N10\n1.0\n6.213642 0.103457 -1.982053\n-2.271737 7.446985 -1.991505\n-0.660500 -0.133047 9.040008\nBa Ru N\n6 6 10\ndirect\n0.742031 0.413640 0.597976 Ba\n0.257969 0.586360 0.402024 Ba\n0.654366 0.882165 0.870482 Ba\n0.345633 0.117836 0.129518 Ba\n0.711128 0.689692 0.221703 Ba\n0.288871 0.310308 0.778297 Ba\n0.939563 0.169847 0.316993 Ru\n0.257603 0.004240 0.432894 Ru\n0.060437 0.830154 0.683007 Ru\n0.100713 0.661438 0.019895 Ru\n0.899286 0.338563 0.980105 Ru\n0.742396 -0.004240 0.567107 Ru\n0.189357 0.755429 0.870576 N\n0.817811 0.162173 0.772877 N\n0.182188 0.837828 0.227123 N\n0.723087 0.739425 0.551903 N\n0.276913 0.260576 0.448097 N\n0.759261 0.541280 0.917783 N\n0.240739 0.458721 0.082217 N\n0.276544 0.953212 0.627291 N\n0.723456 0.046789 0.372709 N\n0.810643 0.244571 0.129424 N\n",
"nsites": 22,
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"elements": [
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],
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"density": 6.382675811457012,
"density_atomic": 0.053845886613136655,
"volume": 408.5734562801815,
"volume_molar": 11.184031202358904,
"formula_full": "Ba6 Ru6 N10",
"formula_reduced": "Ba3Ru3N5",
"formula_anonymous": "A3B3C5",
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"spacegroup": 2
},
{
"id": "jvasp-27055",
"created_at": "2022-09-04T14:38:33.150939Z",
"updated_at": "2022-09-04T14:38:33.150969Z",
"structure_string": "V2 Bi2 Pb2 O10\n1.0\n5.723624 -0.023067 0.064912\n-2.774246 6.694193 -0.045547\n-0.916199 -2.610288 6.669629\nV Bi Pb O\n2 2 2 10\ndirect\n0.847983 0.154840 0.349424 V\n0.152015 0.845159 0.650576 V\n0.573275 0.524806 0.254624 Bi\n0.426723 0.475193 0.745375 Bi\n0.186591 0.815680 0.119041 Pb\n0.813407 0.184319 0.880958 Pb\n0.947317 0.314208 0.603408 O\n0.052681 0.685790 0.396591 O\n0.637125 0.212631 0.204316 O\n0.362872 0.787368 0.795684 O\n0.117555 0.192693 0.257372 O\n0.882442 0.807306 0.742628 O\n0.333108 0.114576 0.686916 O\n0.666890 0.885423 0.313084 O\n0.257128 0.480770 0.002675 O\n0.742870 0.519229 0.997325 O\n",
"nsites": 16,
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"elements": [
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"O"
],
"chemical_system": "Bi-O-Pb-V",
"density": 7.117017015153399,
"density_atomic": 0.06266963655816711,
"volume": 255.30704945367805,
"volume_molar": 9.609343680189564,
"formula_full": "V2 Bi2 Pb2 O10",
"formula_reduced": "VBiPbO5",
"formula_anonymous": "ABCD5",
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"spacegroup": 2
},
{
"id": "jvasp-9824",
"created_at": "2022-09-04T14:38:33.296844Z",
"updated_at": "2022-09-04T14:38:33.296870Z",
"structure_string": "Mn4 Zn4 O8\n1.0\n3.092833 -0.201508 -0.116275\n0.888672 7.999566 -0.179261\n1.155461 0.024575 8.325241\nMn Zn O\n4 4 8\ndirect\n0.049444 0.241709 0.414413 Mn\n0.299933 0.401153 0.770706 Mn\n0.724118 0.578765 0.201091 Mn\n0.974677 0.738204 0.557386 Mn\n0.671820 0.072071 0.726409 Zn\n0.352132 0.907847 0.245391 Zn\n0.269806 0.737352 0.872621 Zn\n0.754328 0.242550 0.099169 Zn\n0.521085 0.725945 0.404163 O\n0.209921 0.382542 0.211209 O\n0.814122 0.597373 0.760582 O\n0.503005 0.253983 0.567631 O\n0.828096 0.062623 0.255565 O\n0.781778 0.257348 0.873600 O\n0.195863 0.917298 0.716246 O\n0.242248 0.722569 0.098195 O\n",
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"elements": [
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],
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"density": 4.8510301849347695,
"density_atomic": 0.07670333671333564,
"volume": 208.59587973072155,
"volume_molar": 7.851210935590226,
"formula_full": "Mn4 Zn4 O8",
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"formula_anonymous": "ABC2",
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"spacegroup": 2
},
{
"id": "jvasp-118414",
"created_at": "2022-09-04T14:38:33.429523Z",
"updated_at": "2022-09-04T14:38:33.429554Z",
"structure_string": "H1 F2\n1.0\n2.944791 0.907895 -0.539121\n-0.643391 -2.860578 0.108628\n0.251770 -3.985719 -3.827967\nH F\n1 2\ndirect\n0.063415 0.039468 0.110603 H\n0.948437 0.423738 0.317668 F\n0.178450 0.655381 0.903431 F\n",
"nsites": 3,
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"elements": [
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"chemical_system": "F-H",
"density": 2.1926551033062798,
"density_atomic": 0.10156054501207534,
"volume": 29.53903013855731,
"volume_molar": 5.929606580275814,
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"spacegroup": 2
},
{
"id": "jvasp-56641",
"created_at": "2022-09-04T14:38:33.489325Z",
"updated_at": "2022-09-04T14:38:33.489347Z",
"structure_string": "V2 Bi2 Pb2 O10\n1.0\n5.723814 -0.027385 0.060238\n-2.768294 6.696620 -0.039013\n-0.913116 -2.614649 6.667820\nV Bi Pb O\n2 2 2 10\ndirect\n0.426379 0.698754 0.622039 V\n0.730452 0.389096 0.923279 V\n0.005119 0.019084 0.018014 Bi\n0.151722 0.068763 0.527292 Bi\n0.764963 0.359632 0.391705 Pb\n0.391889 0.728221 0.153601 Pb\n0.321308 0.063198 0.269979 O\n0.941318 0.331295 0.068376 O\n0.911486 0.658482 0.959563 O\n0.631052 0.229693 0.669265 O\n0.835537 0.024653 0.275316 O\n0.525764 0.858171 0.876049 O\n0.695883 0.736533 0.529928 O\n0.460966 0.351321 0.015412 O\n0.215521 0.756544 0.476921 O\n0.245338 0.429369 0.585767 O\n",
"nsites": 16,
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"elements": [
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],
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"density": 7.117409943463033,
"density_atomic": 0.06267309652943116,
"volume": 255.29295480855063,
"volume_molar": 9.608813180583818,
"formula_full": "V2 Bi2 Pb2 O10",
"formula_reduced": "VBiPbO5",
"formula_anonymous": "ABCD5",
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"spacegroup": 2
},
{
"id": "jvasp-14325",
"created_at": "2022-09-04T14:38:33.648379Z",
"updated_at": "2022-09-04T14:38:33.648394Z",
"structure_string": "Mo2 P2 Cl18\n1.0\n6.828360 -0.031588 0.037365\n-0.911728 8.851546 0.080320\n-0.971558 -1.808959 9.107577\nMo P Cl\n2 2 18\ndirect\n0.883178 0.369110 0.323794 Mo\n0.116821 0.630890 0.676205 Mo\n0.546852 0.185311 0.777607 P\n0.453147 0.814689 0.222393 P\n0.238693 0.946313 0.230479 Cl\n0.761306 0.053687 0.769520 Cl\n0.560979 0.803473 0.422213 Cl\n0.439021 0.196527 0.577787 Cl\n0.550779 0.284407 0.236793 Cl\n0.449220 0.715593 0.763207 Cl\n0.874720 0.588554 0.214179 Cl\n0.125280 0.411446 0.785820 Cl\n0.988314 0.764333 0.879651 Cl\n0.651566 0.390733 0.886894 Cl\n0.915643 0.160758 0.444788 Cl\n0.084356 0.839242 0.555212 Cl\n0.779246 0.515376 0.552022 Cl\n0.220753 0.484624 0.447978 Cl\n0.335764 0.093435 0.876415 Cl\n0.664236 0.906565 0.123585 Cl\n0.011686 0.235667 0.120348 Cl\n0.348434 0.609267 0.113106 Cl\n",
"nsites": 22,
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],
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"density_atomic": 0.039884605822484695,
"volume": 551.5912604957384,
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"formula_anonymous": "ABC9",
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"spacegroup": 2
},
{
"id": "jvasp-46707",
"created_at": "2022-09-04T14:38:33.732168Z",
"updated_at": "2022-09-04T14:38:33.732183Z",
"structure_string": "Li2 V2 P2 H2 O10\n1.0\n5.121339 0.030907 -0.008990\n-0.756235 5.318127 0.029658\n-2.350736 -2.432898 6.464164\nLi V P H O\n2 2 2 2 10\ndirect\n0.748515 0.392289 0.825470 Li\n0.251483 0.607711 0.174530 Li\n-0.000001 -0.000000 0.500000 V\n0.000000 0.000000 0.000000 V\n0.677248 0.364351 0.230121 P\n0.322750 0.635649 0.769879 P\n0.368179 0.065320 0.345996 H\n0.631820 0.934681 0.654004 H\n0.688142 0.660644 0.336999 O\n0.629258 0.753071 0.934377 O\n0.107928 0.654253 0.880497 O\n0.892070 0.345747 0.119502 O\n0.835030 0.039024 0.721329 O\n0.311856 0.339356 0.663000 O\n0.732533 0.212628 0.384691 O\n0.267466 0.787372 0.615309 O\n0.370740 0.246929 0.065623 O\n0.164968 0.960977 0.278671 O\n",
"nsites": 18,
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"elements": [
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],
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"density": 3.1971194512696326,
"density_atomic": 0.10201360185747396,
"volume": 176.44705874760015,
"volume_molar": 5.903272358144653,
"formula_full": "Li2 V2 P2 H2 O10",
"formula_reduced": "LiVPHO5",
"formula_anonymous": "ABCDE5",
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"spacegroup": 2
},
{
"id": "jvasp-56708",
"created_at": "2022-09-04T14:38:33.819219Z",
"updated_at": "2022-09-04T14:38:33.819245Z",
"structure_string": "Lu2 Mo2 Cl2 O8\n1.0\n5.848818 0.024660 -0.002164\n2.098974 6.131654 -0.024067\n1.442069 1.560334 6.503624\nLu Mo Cl O\n2 2 2 8\ndirect\n0.758517 0.801442 0.130263 Lu\n0.241483 0.198557 0.869736 Lu\n0.617454 0.645694 0.731792 Mo\n0.382547 0.354305 0.268207 Mo\n0.009954 0.026249 0.231388 Cl\n0.990046 0.973749 0.768611 Cl\n0.093902 0.522848 0.196547 O\n0.906099 0.477151 0.803453 O\n0.357084 0.243690 0.534562 O\n0.584204 0.521604 0.201715 O\n0.642916 0.756309 0.465437 O\n0.480966 0.133507 0.125244 O\n0.519034 0.866491 0.874755 O\n0.415796 0.478395 0.798285 O\n",
"nsites": 14,
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"elements": [
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],
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"density": 5.27589607336041,
"density_atomic": 0.06005150740776273,
"volume": 233.13319855465028,
"volume_molar": 10.028292410893803,
"formula_full": "Lu2 Mo2 Cl2 O8",
"formula_reduced": "LuMoClO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 2
},
{
"id": "jvasp-119477",
"created_at": "2022-09-04T14:38:33.859653Z",
"updated_at": "2022-09-04T14:38:33.859678Z",
"structure_string": "Ti4 Fe1 Co1 S8\n1.0\n5.826678 0.022755 0.001008\n-2.877072 5.527915 -1.690685\n-0.000417 -0.001883 6.762962\nTi Fe Co S\n4 1 1 8\ndirect\n0.734250 0.987059 0.372676 Ti\n0.265750 0.012942 0.627324 Ti\n0.733444 0.985961 0.870172 Ti\n0.266556 0.014039 0.129828 Ti\n-0.000000 0.500000 0.000000 Fe\n-0.000000 0.500000 0.500000 Co\n0.958803 0.738506 0.307249 S\n0.442366 0.726034 0.056611 S\n0.959255 0.737297 0.811664 S\n0.443973 0.727160 0.556548 S\n0.040745 0.262703 0.188337 S\n0.557635 0.273966 0.943390 S\n0.041197 0.261495 0.692751 S\n0.556028 0.272840 0.443453 S\n",
"nsites": 14,
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"elements": [
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],
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"density": 4.28166615214715,
"density_atomic": 0.0641451371652765,
"volume": 218.25504814071203,
"volume_molar": 9.388304439171032,
"formula_full": "Ti4 Fe1 Co1 S8",
"formula_reduced": "Ti4FeCoS8",
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"spacegroup": 2
}
]
}