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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4558",
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"results": [
{
"id": "jvasp-118503",
"created_at": "2022-09-04T14:38:52.689379Z",
"updated_at": "2022-09-04T14:38:52.689404Z",
"structure_string": "H1 S3\n1.0\n5.077759 -0.515813 0.012576\n0.072604 -5.169705 -0.952361\n-0.886061 1.614962 -2.837479\nH S\n1 3\ndirect\n0.129883 0.165973 0.221783 H\n0.871697 0.250794 0.245094 S\n0.370610 0.714523 0.707361 S\n-0.027216 0.663453 0.489414 S\n",
"nsites": 4,
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"elements": [
"H",
"S"
],
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"density": 1.9756977810352843,
"density_atomic": 0.048961194551217536,
"volume": 81.69735311126168,
"volume_molar": 12.299824003886044,
"formula_full": "H1 S3",
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{
"id": "jvasp-119749",
"created_at": "2022-09-04T14:38:52.683667Z",
"updated_at": "2022-09-04T14:38:52.683685Z",
"structure_string": "Li3 V6 O3 F15\n1.0\n4.968608 -0.002472 -1.159946\n-0.194930 5.430150 -0.822464\n-0.019969 0.124452 11.293974\nLi V O F\n3 6 3 15\ndirect\n0.737425 0.352601 0.517939 Li\n0.932074 0.322454 0.812978 Li\n0.052201 0.475987 0.142722 Li\n-0.003115 0.993756 0.003649 V\n0.337772 0.342202 0.670951 V\n0.188357 0.167838 0.350510 V\n0.671480 0.665776 0.315237 V\n0.834114 0.837531 0.663779 V\n0.492165 0.503877 0.994637 V\n0.686397 0.584010 0.159299 O\n0.304083 0.420597 0.832463 O\n0.359818 0.252995 0.507210 O\n0.006657 0.866541 0.373684 F\n0.552778 0.048122 0.714378 F\n0.658057 0.800501 0.954500 F\n0.969554 0.111619 0.173330 F\n0.126662 0.633494 0.622009 F\n0.973357 0.155572 0.623442 F\n0.186900 0.690714 0.047109 F\n0.039740 0.947899 0.832814 F\n0.634813 0.714353 0.494477 F\n0.323419 0.215518 0.046332 F\n0.469031 0.968322 0.295894 F\n0.811850 0.310101 0.959766 F\n0.321382 0.466642 0.289637 F\n0.865246 0.367075 0.375605 F\n0.697585 0.526185 0.711542 F\n",
"nsites": 27,
"nelements": 4,
"elements": [
"Li",
"V",
"O",
"F"
],
"chemical_system": "F-Li-O-V",
"density": 3.588869518361466,
"density_atomic": 0.08848974302459084,
"volume": 305.1201085813623,
"volume_molar": 6.80546756512388,
"formula_full": "Li3 V6 O3 F15",
"formula_reduced": "LiV2OF5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 1.1343825902777778,
"spacegroup": 1
},
{
"id": "jvasp-119670",
"created_at": "2022-09-04T14:38:52.427408Z",
"updated_at": "2022-09-04T14:38:52.427431Z",
"structure_string": "Hf8 Mg1 N8 O4\n1.0\n4.954206 -0.002547 2.363241\n2.560699 4.659845 1.054700\n-0.003331 -0.046919 11.517409\nHf Mg N O\n8 1 8 4\ndirect\n0.050166 0.441334 0.279448 Hf\n0.163641 0.069093 0.804068 Hf\n0.353633 0.424146 0.977729 Hf\n0.535310 0.059659 0.507882 Hf\n0.246121 0.776298 0.449799 Hf\n0.757376 0.122177 0.216778 Hf\n0.624208 0.762865 0.049393 Hf\n0.945927 0.706248 0.744974 Hf\n0.700045 0.409699 0.656605 Mg\n0.740014 0.031758 0.892663 N\n0.165084 0.957733 0.629073 N\n0.898701 0.730876 0.130253 N\n0.500926 0.683842 0.839221 N\n0.496798 0.433839 0.121358 N\n0.368760 0.317659 0.668474 N\n0.352414 0.108453 0.360319 N\n0.647864 0.397517 0.379332 N\n0.026822 0.433395 0.914377 O\n0.190969 0.126864 0.130774 O\n0.980429 0.810172 0.347878 O\n0.859535 0.703403 0.581120 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
"Hf",
"Mg",
"N",
"O"
],
"chemical_system": "Hf-Mg-N-O",
"density": 10.166174745494565,
"density_atomic": 0.07895864607705577,
"volume": 265.96200724498357,
"volume_molar": 7.626955449721099,
"formula_full": "Hf8 Mg1 N8 O4",
"formula_reduced": "Hf8Mg(N2O)4",
"formula_anonymous": "AB4C8D8",
"energy_above_hull": 5.563853002380951,
"spacegroup": 1
},
{
"id": "jvasp-116679",
"created_at": "2022-09-04T14:38:52.483664Z",
"updated_at": "2022-09-04T14:38:52.483690Z",
"structure_string": "Mg3 Fe3 P4 O16\n1.0\n5.136158 -0.005393 0.010027\n-0.582794 7.592835 -0.063099\n0.000897 -0.083072 8.261855\nMg Fe P O\n3 3 4 16\ndirect\n-0.000743 0.500226 0.500024 Mg\n0.502367 0.998195 0.000195 Mg\n0.403346 0.891598 0.641289 Mg\n0.906652 0.394429 0.865752 Fe\n0.594355 0.114218 0.361615 Fe\n0.090352 0.607482 0.135159 Fe\n0.041506 0.189881 0.195956 P\n0.536555 0.693471 0.304931 P\n0.459964 0.307304 0.697279 P\n0.961238 0.808973 0.800746 P\n0.549315 0.249698 0.868288 O\n0.693823 0.887015 0.797961 O\n0.192628 0.388182 0.699990 O\n0.955253 0.252376 0.367646 O\n0.449370 0.752501 0.134021 O\n0.052470 0.744466 0.631339 O\n0.826157 0.051310 0.138259 O\n0.552996 0.853483 0.425157 O\n0.183752 0.944639 0.855569 O\n0.676632 0.442813 0.638908 O\n0.060128 0.349159 0.080099 O\n0.805644 0.614669 0.302034 O\n0.938610 0.652465 0.920111 O\n0.436007 0.143442 0.581807 O\n0.320767 0.555065 0.359620 O\n0.310880 0.112957 0.196235 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Mg",
"Fe",
"P",
"O"
],
"chemical_system": "Fe-Mg-O-P",
"density": 3.197617589966989,
"density_atomic": 0.08070941062556898,
"volume": 322.1433510476302,
"volume_molar": 7.461510018872779,
"formula_full": "Mg3 Fe3 P4 O16",
"formula_reduced": "Mg3Fe3(PO4)4",
"formula_anonymous": "A3B3C4D16",
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"spacegroup": 1
},
{
"id": "jvasp-120182",
"created_at": "2022-09-04T14:38:52.330476Z",
"updated_at": "2022-09-04T14:38:52.330503Z",
"structure_string": "Tl1 Sn1 F3\n1.0\n4.480290 0.058478 0.121244\n-0.145290 5.138800 -0.307236\n-0.092435 -0.604025 4.440095\nTl Sn F\n1 1 3\ndirect\n0.006826 0.943486 0.012109 Tl\n0.508868 0.479639 0.457499 Sn\n0.510180 0.584972 0.980850 F\n0.012774 0.584600 0.480264 F\n0.521363 0.897302 0.569268 F\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Tl",
"Sn",
"F"
],
"chemical_system": "F-Sn-Tl",
"density": 6.218129658694635,
"density_atomic": 0.04926017379601751,
"volume": 101.50187493662943,
"volume_molar": 12.22517156544597,
"formula_full": "Tl1 Sn1 F3",
"formula_reduced": "TlSnF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 1
},
{
"id": "jvasp-119587",
"created_at": "2022-09-04T14:38:52.309324Z",
"updated_at": "2022-09-04T14:38:52.309360Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n6.068490 0.006132 2.002681\n1.418641 5.899288 1.961548\n-0.015215 0.017927 6.382244\nLi Mn Co O\n8 2 4 14\ndirect\n0.918598 0.227081 0.364698 Li\n0.212720 0.367199 0.924779 Li\n0.510094 0.500322 0.508732 Li\n0.648435 0.075924 0.782074 Li\n0.362911 0.921788 0.214318 Li\n0.060762 0.773757 0.645503 Li\n0.786803 0.630674 0.067417 Li\n0.849734 0.435761 0.712287 Li\n0.995801 0.003886 -0.000043 Mn\n0.284590 0.149259 0.570427 Mn\n0.430136 0.713620 0.855785 Co\n0.717094 0.853935 0.429972 Co\n0.572828 0.286599 0.140087 Co\n0.141302 0.568835 0.287162 Co\n0.113161 0.688810 0.975382 O\n0.886888 0.299368 0.042228 O\n0.188447 0.451740 0.590395 O\n0.452940 0.595838 0.164234 O\n0.598153 0.168431 0.456388 O\n0.307950 0.031667 0.884951 O\n0.029856 0.878820 0.310763 O\n0.729790 0.757147 0.740085 O\n0.985659 0.097425 0.687426 O\n0.259763 0.256399 0.261892 O\n0.529427 0.403458 0.840699 O\n0.688623 0.975238 0.114256 O\n0.406084 0.833392 0.541725 O\n0.831436 0.553633 0.386374 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.543994005946036,
"density_atomic": 0.12256808632057307,
"volume": 228.4444576116401,
"volume_molar": 4.913302427068394,
"formula_full": "Li8 Mn2 Co4 O14",
"formula_reduced": "Li4MnCo2O7",
"formula_anonymous": "AB2C4D7",
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"spacegroup": 1
},
{
"id": "jvasp-119727",
"created_at": "2022-09-04T14:38:52.303699Z",
"updated_at": "2022-09-04T14:38:52.303738Z",
"structure_string": "Co6 O4 F8\n1.0\n4.493067 0.020986 0.138655\n0.184432 5.439849 0.336472\n0.020219 0.069334 7.565422\nCo O F\n6 4 8\ndirect\n0.527831 0.511595 0.007573 Co\n0.463179 0.185314 0.348205 Co\n0.499364 0.832626 0.661588 Co\n-0.000627 0.341094 0.672882 Co\n0.006109 0.652417 0.311915 Co\n0.981157 0.982682 0.003923 Co\n0.302415 0.458023 0.228126 O\n0.290501 0.135393 0.571841 O\n0.809744 0.700396 0.100787 O\n0.703724 0.544572 0.768333 O\n0.202728 0.292122 0.909759 F\n0.805006 0.380825 0.426123 F\n0.786939 0.043848 0.769604 F\n0.701601 0.195233 0.115358 F\n0.712752 0.873229 0.425425 F\n0.291914 0.796757 0.894485 F\n0.216873 0.940680 0.235518 F\n0.198796 0.633198 0.548553 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Co",
"O",
"F"
],
"chemical_system": "Co-F-O",
"density": 5.119062025342952,
"density_atomic": 0.09742177130018859,
"volume": 184.7636289073011,
"volume_molar": 6.181514336712068,
"formula_full": "Co6 O4 F8",
"formula_reduced": "Co3(OF2)2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 1.678636758888889,
"spacegroup": 1
},
{
"id": "jvasp-119652",
"created_at": "2022-09-04T14:38:52.301522Z",
"updated_at": "2022-09-04T14:38:52.301539Z",
"structure_string": "Mn3 Fe9 C4\n1.0\n4.429797 0.001323 0.070717\n-0.002509 4.950224 0.001473\n-0.009891 0.002862 6.691912\nMn Fe C\n3 9 4\ndirect\n0.337919 0.682496 0.063819 Mn\n0.158976 0.182003 0.438851 Mn\n0.655861 0.320360 0.564889 Mn\n0.843064 0.820373 0.932259 Fe\n0.675965 0.314034 0.932015 Fe\n0.824270 0.815352 0.565394 Fe\n0.326118 0.682860 0.430845 Fe\n0.173566 0.183113 0.070952 Fe\n0.839023 0.535406 0.250187 Fe\n0.660081 0.035175 0.248676 Fe\n0.162514 0.463057 0.751458 Fe\n0.341216 0.964727 0.749729 Fe\n0.063285 0.880847 0.248216 C\n0.436132 0.382108 0.253303 C\n0.937761 0.118625 0.738574 C\n0.564254 0.619450 0.760831 C\n",
"nsites": 16,
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"elements": [
"Mn",
"Fe",
"C"
],
"chemical_system": "C-Fe-Mn",
"density": 8.095925007828491,
"density_atomic": 0.10903120931826152,
"volume": 146.74697364216226,
"volume_molar": 5.523318321106944,
"formula_full": "Mn3 Fe9 C4",
"formula_reduced": "Mn3Fe9C4",
"formula_anonymous": "A3B4C9",
"energy_above_hull": 5.28407757650862,
"spacegroup": 1
},
{
"id": "jvasp-119734",
"created_at": "2022-09-04T14:38:52.271369Z",
"updated_at": "2022-09-04T14:38:52.271383Z",
"structure_string": "Li3 Fe2 P2 C2 O14\n1.0\n8.411656 0.041875 -0.179262\n0.448713 4.969000 0.117632\n-0.071543 0.151667 6.248550\nLi Fe P C O\n3 2 2 2 14\ndirect\n0.110267 0.874630 0.231454 Li\n0.736222 0.704289 0.904702 Li\n0.930743 0.202842 0.632750 Li\n0.330827 0.794294 0.762584 Fe\n0.663594 0.185472 0.265745 Fe\n0.421641 0.721139 0.275168 P\n0.581138 0.238462 0.761710 P\n0.055774 0.666314 0.768005 C\n0.932463 0.387816 0.229142 C\n0.786729 0.493915 0.172901 O\n0.671058 0.084652 0.958401 O\n0.700896 0.209128 0.579423 O\n0.573172 0.859437 0.325087 O\n0.539091 0.540753 0.799148 O\n0.467281 0.416886 0.256122 O\n0.193028 0.513865 0.784377 O\n0.298726 0.772745 0.453121 O\n0.326143 0.843560 0.070137 O\n0.924563 0.564696 0.746401 O\n0.051932 0.516070 0.217472 O\n0.071391 0.922624 0.772595 O\n0.426793 0.106160 0.707000 O\n0.935467 0.135019 0.304564 O\n",
"nsites": 23,
"nelements": 5,
"elements": [
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"Fe",
"P",
"C",
"O"
],
"chemical_system": "C-Fe-Li-O-P",
"density": 2.8169467460795636,
"density_atomic": 0.08817999830337489,
"volume": 260.83012522715967,
"volume_molar": 6.8293727328973155,
"formula_full": "Li3 Fe2 P2 C2 O14",
"formula_reduced": "Li3Fe2P2(CO7)2",
"formula_anonymous": "A2B2C2D3E14",
"energy_above_hull": 3.2798409130434782,
"spacegroup": 1
},
{
"id": "jvasp-117833",
"created_at": "2022-09-04T14:38:52.259816Z",
"updated_at": "2022-09-04T14:38:52.259843Z",
"structure_string": "Br3 O1\n1.0\n5.147701 0.542589 0.200728\n-5.711489 -6.597580 0.473459\n0.800292 3.343187 -3.683712\nBr O\n3 1\ndirect\n0.122855 0.077924 -0.101180 Br\n0.475606 0.731695 0.277526 Br\n0.061657 -0.263346 -0.134958 Br\n0.021290 0.488888 0.845451 O\n",
"nsites": 4,
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"elements": [
"Br",
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],
"chemical_system": "Br-O",
"density": 4.123460648727926,
"density_atomic": 0.03884388486949259,
"volume": 102.97631180401167,
"volume_molar": 15.503446115735196,
"formula_full": "Br3 O1",
"formula_reduced": "Br3O",
"formula_anonymous": "AB3",
"energy_above_hull": 0.5762114537499999,
"spacegroup": 1
},
{
"id": "jvasp-117263",
"created_at": "2022-09-04T14:38:52.027095Z",
"updated_at": "2022-09-04T14:38:52.027123Z",
"structure_string": "Li6 Mo2 P4 O18\n1.0\n6.395873 0.019951 -3.129009\n-0.332518 7.061015 0.144094\n-0.019198 -0.007942 7.873272\nLi Mo P O\n6 2 4 18\ndirect\n0.953597 0.760559 0.821293 Li\n0.000963 0.494890 0.505890 Li\n0.446569 0.346192 0.745428 Li\n0.559061 0.660773 0.256461 Li\n0.156952 0.251857 0.177989 Li\n0.771420 -0.006802 0.000982 Li\n0.490324 0.003199 0.491733 Mo\n-0.002871 0.996319 0.505385 Mo\n0.386928 0.760406 0.811098 P\n0.104465 0.694431 0.249097 P\n0.615268 0.242434 0.189603 P\n0.874642 0.301668 0.750223 P\n0.452242 0.141096 0.257847 O\n0.898258 0.513753 0.747779 O\n0.989976 0.799767 0.065486 O\n0.317334 0.574377 0.704250 O\n0.631589 0.241045 0.635406 O\n0.517844 0.241164 0.977732 O\n0.531786 0.881704 0.736963 O\n0.807818 0.105492 0.255904 O\n0.107663 0.482069 0.254404 O\n0.504143 0.761086 0.022822 O\n0.345850 0.771207 0.345481 O\n0.951994 0.191863 0.933710 O\n0.690138 0.427470 0.297715 O\n0.002574 0.753430 0.384291 O\n-0.008726 0.233897 0.628935 O\n0.230468 0.086233 0.467856 O\n0.177715 0.876897 0.748922 O\n0.752175 0.911514 0.529292 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
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"Mo",
"P",
"O"
],
"chemical_system": "Li-Mo-O-P",
"density": 3.017299844718565,
"density_atomic": 0.0844607183226848,
"volume": 355.1947058440122,
"volume_molar": 7.1301083859981205,
"formula_full": "Li6 Mo2 P4 O18",
"formula_reduced": "Li3MoP2O9",
"formula_anonymous": "AB2C3D9",
"energy_above_hull": 2.8021445600000003,
"spacegroup": 1
},
{
"id": "jvasp-119166",
"created_at": "2022-09-04T14:38:51.862133Z",
"updated_at": "2022-09-04T14:38:51.862160Z",
"structure_string": "Mo6 Se4 S4\n1.0\n6.576512 -0.087911 -0.203118\n-0.287198 6.550719 -0.231872\n-0.018846 -0.039118 6.588522\nMo Se S\n6 4 4\ndirect\n0.589385 0.458546 0.773615 Mo\n0.452739 0.774308 0.590031 Mo\n0.790727 0.603022 0.447642 Mo\n0.411607 0.546118 0.220755 Mo\n0.543693 0.221317 0.409732 Mo\n0.206669 0.407410 0.550042 Mo\n0.752539 0.379687 0.121364 Se\n0.365812 0.124242 0.750363 Se\n0.800201 0.805665 0.787164 Se\n0.200358 0.197314 0.214384 Se\n0.858573 0.279714 0.606534 S\n0.269708 0.607479 0.870448 S\n0.617761 0.869270 0.272437 S\n0.140219 0.725907 0.385486 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Mo",
"Se",
"S"
],
"chemical_system": "Mo-S-Se",
"density": 5.9711004626532365,
"density_atomic": 0.04936780991907321,
"volume": 283.58560006914774,
"volume_molar": 12.198517150896238,
"formula_full": "Mo6 Se4 S4",
"formula_reduced": "Mo3(SeS)2",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 3.906892061904761,
"spacegroup": 1
}
]
}