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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4493",
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"results": [
{
"id": "jvasp-17509",
"created_at": "2022-09-04T14:38:32.055552Z",
"updated_at": "2022-09-04T14:38:32.055577Z",
"structure_string": "Rh1 O2 F6\n1.0\n4.991090 0.001890 -0.028052\n-0.942333 5.007116 -0.043112\n-1.118663 -0.362798 5.033481\nRh O F\n1 2 6\ndirect\n0.000000 0.000000 0.000000 Rh\n0.409620 0.546955 0.531036 O\n0.590382 0.453045 0.468964 O\n0.805332 0.670832 0.072662 F\n0.664543 0.069816 0.796387 F\n0.335459 0.930185 0.203614 F\n0.062295 0.832670 0.697491 F\n0.937706 0.167330 0.302510 F\n0.194669 0.329169 0.927339 F\n",
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"density_atomic": 0.0716812599943682,
"volume": 125.55582868809931,
"volume_molar": 8.401276373313113,
"formula_full": "Rh1 O2 F6",
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"formula_anonymous": "AB2C6",
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"spacegroup": 2
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{
"id": "jvasp-9494",
"created_at": "2022-09-04T14:38:32.205659Z",
"updated_at": "2022-09-04T14:38:32.205678Z",
"structure_string": "Zn2 Co2 P2 O10\n1.0\n5.256665 0.091017 -0.017231\n-0.753994 5.273889 -0.014372\n-1.882693 -2.235679 6.171270\nZn Co P O\n2 2 2 10\ndirect\n0.866789 0.719972 0.246460 Zn\n0.143401 0.271573 0.724453 Zn\n0.505081 0.995754 0.485445 Co\n0.505077 0.995749 0.985446 Co\n0.128932 0.308571 0.229068 P\n0.881216 0.682929 0.741821 P\n0.263619 0.234749 0.051494 O\n0.167686 0.117468 0.364639 O\n0.746523 0.756744 0.919392 O\n0.842469 0.874025 0.606242 O\n0.783955 0.383319 0.597436 O\n0.192288 0.695712 0.847623 O\n0.226214 0.608175 0.373457 O\n0.817867 0.295790 0.123276 O\n0.436190 0.090613 0.735740 O\n0.573957 0.900880 0.235142 O\n",
"nsites": 16,
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"elements": [
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"Co",
"P",
"O"
],
"chemical_system": "Co-O-P-Zn",
"density": 4.566301618007751,
"density_atomic": 0.09348881236747694,
"volume": 171.1434726233201,
"volume_molar": 6.44156301433025,
"formula_full": "Zn2 Co2 P2 O10",
"formula_reduced": "ZnCoPO5",
"formula_anonymous": "ABCD5",
"energy_above_hull": 2.2221267875,
"spacegroup": 2
},
{
"id": "jvasp-57394",
"created_at": "2022-09-04T14:38:32.366044Z",
"updated_at": "2022-09-04T14:38:32.366063Z",
"structure_string": "V2 Ni1 Te2 O10\n1.0\n4.771591 0.007914 -0.003861\n-1.841834 -6.105477 0.010770\n-2.292455 0.072918 -6.094392\nV Ni Te O\n2 1 2 10\ndirect\n0.643506 0.385003 0.371229 V\n0.356495 0.614998 0.628771 V\n0.000000 0.500000 0.000000 Ni\n0.267832 0.096203 0.780946 Te\n0.732170 0.903798 0.219053 Te\n0.038343 0.470014 0.709051 O\n0.662947 0.653418 0.867083 O\n0.294470 0.830929 0.039911 O\n0.602522 0.675535 0.427757 O\n0.725599 0.114727 0.413256 O\n0.274403 0.885274 0.586743 O\n0.397480 0.324466 0.572242 O\n0.705532 0.169072 0.960089 O\n0.337055 0.346583 0.132917 O\n0.961659 0.529987 0.290948 O\n",
"nsites": 15,
"nelements": 4,
"elements": [
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"O"
],
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"density": 5.386153526079029,
"density_atomic": 0.0845028887388814,
"volume": 177.508724540185,
"volume_molar": 7.12655016872707,
"formula_full": "V2 Ni1 Te2 O10",
"formula_reduced": "V2Ni(TeO5)2",
"formula_anonymous": "AB2C2D10",
"energy_above_hull": 2.8406234222222224,
"spacegroup": 2
},
{
"id": "jvasp-24241",
"created_at": "2022-09-04T14:38:32.418633Z",
"updated_at": "2022-09-04T14:38:32.418650Z",
"structure_string": "K2 Li6 Pb2 O8\n1.0\n-5.945894 0.011567 -0.008287\n-0.178532 -5.976161 0.032738\n2.154909 1.967301 6.315576\nK Li Pb O\n2 6 2 8\ndirect\n0.510631 0.990885 0.250460 K\n0.489368 0.009115 0.749540 K\n0.051394 0.126934 0.906605 Li\n0.948605 0.873066 0.093395 Li\n0.681883 0.459196 0.153802 Li\n0.064498 0.165351 0.447043 Li\n0.935501 0.834649 0.552957 Li\n0.318116 0.540804 0.846199 Li\n0.241314 0.494525 0.295033 Pb\n0.758685 0.505475 0.704968 Pb\n0.359504 0.361582 0.566709 O\n0.879754 0.168000 0.633405 O\n0.120245 0.832000 0.366595 O\n0.656097 0.673791 0.973183 O\n0.343902 0.326209 0.026818 O\n0.065461 0.769228 0.835324 O\n0.934538 0.230772 0.164676 O\n0.640495 0.638418 0.433292 O\n",
"nsites": 18,
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"elements": [
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"Li",
"Pb",
"O"
],
"chemical_system": "K-Li-O-Pb",
"density": 4.893775042350554,
"density_atomic": 0.08010385981197415,
"volume": 224.7082730126983,
"volume_molar": 7.51791583343877,
"formula_full": "K2 Li6 Pb2 O8",
"formula_reduced": "KLi3PbO4",
"formula_anonymous": "ABC3D4",
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"spacegroup": 2
},
{
"id": "jvasp-9485",
"created_at": "2022-09-04T14:38:32.517301Z",
"updated_at": "2022-09-04T14:38:32.517316Z",
"structure_string": "Ti2 Zn2 P2 O10\n1.0\n5.161547 -0.080706 -0.103230\n-0.886769 5.535033 0.022630\n-1.952249 -2.287592 6.510370\nTi Zn P O\n2 2 2 10\ndirect\n0.499530 0.000352 0.499952 Ti\n0.499532 0.000338 -0.000043 Ti\n0.218139 0.338697 0.716803 Zn\n0.780920 0.661973 0.283121 Zn\n0.820217 0.641788 0.759941 P\n0.178848 0.358911 0.239975 P\n0.574427 0.639236 0.848151 O\n0.759764 0.765456 0.588664 O\n0.424634 0.361445 0.151759 O\n0.239314 0.235259 0.411259 O\n0.170135 0.643712 0.341235 O\n0.897672 0.226237 0.067026 O\n0.828934 0.356989 0.658667 O\n0.101387 0.774457 0.932895 O\n0.621091 0.943984 0.263001 O\n0.377989 0.056697 0.736911 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
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"Zn",
"P",
"O"
],
"chemical_system": "O-P-Ti-Zn",
"density": 4.037042596739417,
"density_atomic": 0.08673173628284458,
"volume": 184.4768787727449,
"volume_molar": 6.9434108183432866,
"formula_full": "Ti2 Zn2 P2 O10",
"formula_reduced": "TiZnPO5",
"formula_anonymous": "ABCD5",
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"spacegroup": 2
},
{
"id": "jvasp-25884",
"created_at": "2022-09-04T14:38:32.443931Z",
"updated_at": "2022-09-04T14:38:32.443966Z",
"structure_string": "Pr2 B4 Cl2 O8\n1.0\n-4.239129 -0.006920 0.002675\n2.024346 6.273332 -0.007224\n-0.135883 -1.121464 -8.007072\nPr B Cl O\n2 4 2 8\ndirect\n0.787324 0.029841 0.777761 Pr\n0.212675 0.970159 0.222237 Pr\n0.168262 0.650101 0.852867 B\n0.564571 0.435464 0.805006 B\n0.435427 0.564536 0.194993 B\n0.831737 0.349899 0.147131 B\n0.144095 0.795602 0.541170 Cl\n0.855904 0.204398 0.458829 Cl\n0.633889 0.766522 0.210649 O\n0.097041 0.537381 0.176319 O\n0.837303 0.152986 0.079086 O\n0.366110 0.233478 0.789350 O\n0.902958 0.462620 0.823679 O\n0.162695 0.847014 0.920913 O\n0.481310 0.626103 0.816914 O\n0.518689 0.373897 0.183085 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
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"B",
"Cl",
"O"
],
"chemical_system": "B-Cl-O-Pr",
"density": 4.087572924335524,
"density_atomic": 0.07516884047746378,
"volume": 212.85415470519237,
"volume_molar": 8.01148550615928,
"formula_full": "Pr2 B4 Cl2 O8",
"formula_reduced": "PrB2ClO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 2.6120166355208334,
"spacegroup": 2
},
{
"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",
"nsites": 20,
"nelements": 3,
"elements": [
"Tl",
"Bi",
"Cl"
],
"chemical_system": "Bi-Cl-Tl",
"density": 5.006222028933502,
"density_atomic": 0.03463256840055837,
"volume": 577.4910993802455,
"volume_molar": 17.388663440574934,
"formula_full": "Tl2 Bi4 Cl14",
"formula_reduced": "TlBi2Cl7",
"formula_anonymous": "AB2C7",
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"spacegroup": 2
},
{
"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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],
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"density": 6.488763891765317,
"density_atomic": 0.06762438667831497,
"volume": 295.7512959805279,
"volume_molar": 8.905279671735807,
"formula_full": "Tc8 P12",
"formula_reduced": "Tc2P3",
"formula_anonymous": "A2B3",
"energy_above_hull": 4.122815900000001,
"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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],
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"density": 4.409285094150263,
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"volume": 172.47098770310373,
"volume_molar": 5.193222824821598,
"formula_full": "Li5 Ti2 Fe3 O10",
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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,
"nelements": 3,
"elements": [
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"Ru",
"N"
],
"chemical_system": "Ba-N-Ru",
"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",
"energy_above_hull": 4.202683241818182,
"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,
"nelements": 4,
"elements": [
"V",
"Bi",
"Pb",
"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",
"energy_above_hull": 2.3128796025,
"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",
"nsites": 16,
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"elements": [
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"O"
],
"chemical_system": "Mn-O-Zn",
"density": 4.8510301849347695,
"density_atomic": 0.07670333671333564,
"volume": 208.59587973072155,
"volume_molar": 7.851210935590226,
"formula_full": "Mn4 Zn4 O8",
"formula_reduced": "MnZnO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.5329136603448272,
"spacegroup": 2
}
]
}