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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=id&page=1120",
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"results": [
{
"id": "jvasp-119309",
"created_at": "2022-09-04T14:38:50.494179Z",
"updated_at": "2022-09-04T14:38:50.494209Z",
"structure_string": "Rb6 Mn6 O12\n1.0\n6.530789 -0.012938 0.156892\n1.457740 7.393846 1.686464\n-0.036795 -0.004073 8.516458\nRb Mn O\n6 6 12\ndirect\n0.159044 0.112693 0.118504 Rb\n0.840960 0.887310 0.881501 Rb\n0.822217 0.874215 0.468743 Rb\n0.177781 0.125785 0.531256 Rb\n0.017332 0.456959 0.764753 Rb\n0.982668 0.543043 0.235240 Rb\n0.597753 0.320595 0.117749 Mn\n0.400050 0.675037 0.549944 Mn\n0.402246 0.679403 0.882251 Mn\n0.582931 0.318951 0.785078 Mn\n0.417070 0.681050 0.214922 Mn\n0.599950 0.324964 0.450057 Mn\n0.603274 0.629192 0.721958 O\n0.227313 0.779082 0.362542 O\n0.772690 0.220925 0.637456 O\n0.791146 0.237011 0.298593 O\n0.208852 0.762987 0.701407 O\n0.226132 0.770909 0.037020 O\n0.773874 0.229093 0.962980 O\n0.611191 0.615618 0.394841 O\n0.388808 0.384381 0.605158 O\n0.387992 0.381842 0.945011 O\n0.612011 0.618152 0.054988 O\n0.396725 0.370812 0.278042 O\n",
"nsites": 24,
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],
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"density": 4.17438387992065,
"density_atomic": 0.058324942045139216,
"volume": 411.48776421287766,
"volume_molar": 10.325155154615167,
"formula_full": "Rb6 Mn6 O12",
"formula_reduced": "RbMnO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.5793510603448275,
"spacegroup": 2
},
{
"id": "jvasp-119310",
"created_at": "2022-09-04T14:38:47.119118Z",
"updated_at": "2022-09-04T14:38:47.119146Z",
"structure_string": "Li2 Fe2 Mo4 O16\n1.0\n6.227524 -0.087205 -2.227214\n-2.067194 6.864443 -0.094783\n-0.035693 0.015516 6.943695\nLi Fe Mo O\n2 2 4 16\ndirect\n0.775171 0.447011 0.274694 Li\n0.224830 0.552990 0.725307 Li\n0.407934 0.096261 0.326018 Fe\n0.592066 0.903740 0.673983 Fe\n0.820559 0.964005 0.227521 Mo\n0.334814 0.573778 0.285409 Mo\n0.179442 0.035996 0.772479 Mo\n0.665187 0.426223 0.714592 Mo\n0.294172 0.282287 0.740503 O\n0.123314 0.049464 0.362606 O\n0.097413 0.482604 0.348588 O\n0.759777 0.962360 0.958955 O\n0.470928 0.374007 0.342190 O\n0.239759 0.571953 0.023075 O\n0.902588 0.517397 0.651413 O\n0.876687 0.950536 0.637395 O\n0.684143 0.136151 0.279354 O\n0.419827 0.845855 0.387381 O\n0.760242 0.428048 0.976925 O\n0.705828 0.717714 0.259498 O\n0.240223 0.037641 0.041046 O\n0.580174 0.154146 0.612619 O\n0.529073 0.625993 0.657810 O\n0.315858 0.863850 0.720647 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
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"Fe",
"Mo",
"O"
],
"chemical_system": "Fe-Li-Mo-O",
"density": 4.306275372609101,
"density_atomic": 0.08132414716977425,
"volume": 295.11529890251444,
"volume_molar": 7.405107793418398,
"formula_full": "Li2 Fe2 Mo4 O16",
"formula_reduced": "LiFe(MoO4)2",
"formula_anonymous": "ABC2D8",
"energy_above_hull": 3.430024608333333,
"spacegroup": 2
},
{
"id": "jvasp-119311",
"created_at": "2022-09-04T14:38:30.222356Z",
"updated_at": "2022-09-04T14:38:30.222379Z",
"structure_string": "Ba1 Y1 Fe4 O7\n1.0\n5.515790 -0.000000 3.184543\n1.838597 5.200336 3.184543\n-0.000000 -0.000000 6.369085\nBa Y Fe O\n1 1 4 7\ndirect\n0.750000 0.750001 0.749999 Ba\n0.000000 0.000000 0.000000 Y\n0.379515 0.379515 0.861457 Fe\n0.379515 0.861457 0.379514 Fe\n0.861457 0.379515 0.379514 Fe\n0.379515 0.379515 0.379514 Fe\n0.751055 0.751056 0.248944 O\n0.248945 0.751056 0.248944 O\n0.751055 0.248945 0.248945 O\n0.248945 0.248945 0.751055 O\n0.751055 0.248945 0.751055 O\n0.248945 0.751056 0.751055 O\n0.250000 0.250000 0.250000 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Ba",
"Y",
"Fe",
"O"
],
"chemical_system": "Ba-Fe-O-Y",
"density": 5.104658730654081,
"density_atomic": 0.07115856467648922,
"volume": 182.69058769105834,
"volume_molar": 8.46298795848213,
"formula_full": "Ba1 Y1 Fe4 O7",
"formula_reduced": "BaYFe4O7",
"formula_anonymous": "ABC4D7",
"energy_above_hull": 2.992149070769231,
"spacegroup": 216
},
{
"id": "jvasp-119312",
"created_at": "2022-09-04T14:38:49.009641Z",
"updated_at": "2022-09-04T14:38:49.009662Z",
"structure_string": "Na4 Cr4 O8\n1.0\n5.210611 -0.004496 -0.000040\n0.872510 5.262457 -1.503742\n0.000054 -0.000369 6.016665\nNa Cr O\n4 4 8\ndirect\n0.499999 -0.000000 0.750000 Na\n0.499999 -0.000000 0.250000 Na\n-0.000000 0.000000 0.500000 Na\n0.999998 0.999999 1.000001 Na\n0.749999 0.500000 0.874998 Cr\n0.250000 0.500000 0.625004 Cr\n0.749999 0.500000 0.374997 Cr\n0.250000 0.500000 0.125004 Cr\n0.116247 0.302411 0.825605 O\n0.116247 0.302411 0.325604 O\n0.616247 0.302411 0.575610 O\n0.616247 0.302411 0.075609 O\n0.383752 0.697589 0.924392 O\n0.383752 0.697589 0.424391 O\n0.883752 0.697589 0.674397 O\n0.883752 0.697589 0.174397 O\n",
"nsites": 16,
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"elements": [
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"O"
],
"chemical_system": "Cr-Na-O",
"density": 4.306684694456233,
"density_atomic": 0.09696888955196953,
"volume": 165.00137388316648,
"volume_molar": 6.210384369486352,
"formula_full": "Na4 Cr4 O8",
"formula_reduced": "NaCrO2",
"formula_anonymous": "ABC2",
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"spacegroup": 166
},
{
"id": "jvasp-119315",
"created_at": "2022-09-04T14:38:50.533727Z",
"updated_at": "2022-09-04T14:38:50.533763Z",
"structure_string": "V6 H4 O13\n1.0\n6.255685 -0.002457 -1.145456\n-5.084071 3.644972 1.145456\n0.015225 -0.004897 10.357160\nV H O\n6 4 13\ndirect\n0.644463 0.355536 -0.002130 V\n0.352527 0.647472 0.012369 V\n0.591530 0.408469 0.615465 V\n0.410771 0.589228 0.364832 V\n0.291820 0.708179 0.637014 V\n0.715188 0.284811 0.386493 V\n0.819649 0.180350 0.876849 H\n0.922460 0.077539 0.496268 H\n0.507432 0.492567 0.804666 H\n0.581144 0.418855 0.195122 H\n0.662852 0.337147 0.199828 O\n0.333721 0.666278 0.802739 O\n0.382357 0.617642 0.194343 O\n0.588655 0.411343 0.804413 O\n0.500887 0.499112 0.008123 O\n0.185958 0.814041 0.001190 O\n0.760227 0.239772 0.595986 O\n0.894115 0.105884 0.400126 O\n0.127058 0.872941 0.616437 O\n0.433559 0.566439 0.579223 O\n0.818790 0.181209 0.971882 O\n0.251250 0.748748 0.403695 O\n0.567674 0.432325 0.415312 O\n",
"nsites": 23,
"nelements": 3,
"elements": [
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"H",
"O"
],
"chemical_system": "H-O-V",
"density": 3.640858951125821,
"density_atomic": 0.0974152865289589,
"volume": 236.1025750631317,
"volume_molar": 6.18192582968976,
"formula_full": "V6 H4 O13",
"formula_reduced": "V6H4O13",
"formula_anonymous": "A4B6C13",
"energy_above_hull": 3.662022639130435,
"spacegroup": 8
},
{
"id": "jvasp-119316",
"created_at": "2022-09-04T14:38:30.342863Z",
"updated_at": "2022-09-04T14:38:30.342900Z",
"structure_string": "Mn4 Cu2 O8\n1.0\n5.073329 0.031575 3.295366\n1.461346 4.846530 2.687996\n0.007138 0.031575 6.049632\nMn Cu O\n4 2 8\ndirect\n0.021527 0.978474 0.021526 Mn\n0.228474 0.271527 0.228474 Mn\n0.125001 0.625001 0.625000 Mn\n0.625000 0.625001 0.125000 Mn\n0.625000 0.125001 0.625000 Cu\n0.625001 0.625001 0.625000 Cu\n0.364542 0.406855 0.364541 O\n0.358094 0.407930 0.826048 O\n0.364542 0.864065 0.364541 O\n0.423952 0.842073 0.891906 O\n0.826049 0.407930 0.358094 O\n0.891907 0.842073 0.423951 O\n0.885459 0.385938 0.885458 O\n0.885460 0.843148 0.885458 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Mn",
"Cu",
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],
"chemical_system": "Cu-Mn-O",
"density": 5.324841376991479,
"density_atomic": 0.0945450691793827,
"volume": 148.07752663904083,
"volume_molar": 6.3695979200925255,
"formula_full": "Mn4 Cu2 O8",
"formula_reduced": "Mn2CuO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.675779847536945,
"spacegroup": 74
},
{
"id": "jvasp-119317",
"created_at": "2022-09-04T14:38:30.380448Z",
"updated_at": "2022-09-04T14:38:30.380468Z",
"structure_string": "Li2 Co2 Si2 O8\n1.0\n4.996268 0.001709 0.645610\n2.468875 4.325279 0.703748\n0.560952 0.526935 8.490599\nLi Co Si O\n2 2 2 8\ndirect\n0.930815 0.079849 0.118511 Li\n0.097886 0.041957 0.632118 Li\n0.616955 0.680387 0.144261 Co\n0.401530 0.339704 0.638787 Co\n0.728653 0.645779 0.776450 Si\n0.255486 0.331321 0.277648 Si\n0.409911 -0.017762 0.778710 O\n0.022520 0.697098 0.682621 O\n0.798003 0.479137 0.963515 O\n0.242538 0.668183 0.198490 O\n0.705043 0.409542 0.679738 O\n0.334752 0.223164 0.465929 O\n0.920953 0.352235 0.272844 O\n0.534965 0.069101 0.169201 O\n",
"nsites": 14,
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"elements": [
"Li",
"Co",
"Si",
"O"
],
"chemical_system": "Co-Li-O-Si",
"density": 2.9003694417527184,
"density_atomic": 0.07740385227660086,
"volume": 180.86955091035168,
"volume_molar": 7.780156391286599,
"formula_full": "Li2 Co2 Si2 O8",
"formula_reduced": "LiCoSiO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.444576214285714,
"spacegroup": 1
},
{
"id": "jvasp-119318",
"created_at": "2022-09-04T14:38:51.374761Z",
"updated_at": "2022-09-04T14:38:51.374784Z",
"structure_string": "Li2 Co1 Ni3 O8\n1.0\n4.931813 0.003114 2.806983\n1.633624 4.653393 2.806983\n0.004391 0.003114 5.674673\nLi Co Ni O\n2 1 3 8\ndirect\n0.876332 0.876331 0.876333 Li\n0.123667 0.123667 0.123667 Li\n0.500000 0.499999 0.500000 Co\n0.500000 -0.000001 0.500000 Ni\n-0.000000 0.499999 0.500000 Ni\n0.500000 0.499999 0.000000 Ni\n0.291308 0.734920 0.734922 O\n0.734921 0.291307 0.734922 O\n0.262931 0.262931 0.262931 O\n0.734921 0.734920 0.291309 O\n0.265078 0.265077 0.708691 O\n0.737068 0.737067 0.737069 O\n0.265078 0.708690 0.265078 O\n0.708691 0.265077 0.265078 O\n",
"nsites": 14,
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"elements": [
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],
"chemical_system": "Co-Li-Ni-O",
"density": 4.809843422935169,
"density_atomic": 0.10759561615242733,
"volume": 130.11682539339373,
"volume_molar": 5.597013126881139,
"formula_full": "Li2 Co1 Ni3 O8",
"formula_reduced": "Li2CoNi3O8",
"formula_anonymous": "AB2C3D8",
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"spacegroup": 166
},
{
"id": "jvasp-119319",
"created_at": "2022-09-04T14:38:47.876151Z",
"updated_at": "2022-09-04T14:38:47.876175Z",
"structure_string": "Li4 Ni4 O8\n1.0\n5.008142 0.052710 2.861985\n1.654941 4.727096 2.861985\n0.021607 0.015500 5.753675\nLi Ni O\n4 4 8\ndirect\n0.500000 0.500000 -0.000001 Li\n0.500000 0.500000 0.499999 Li\n0.500000 -0.000000 -0.000000 Li\n-0.000000 0.500000 -0.000000 Li\n0.000000 0.000000 0.000000 Ni\n0.500000 -0.000000 0.499999 Ni\n0.000000 0.500000 0.499999 Ni\n0.000000 -0.000000 0.499999 Ni\n0.766072 0.766073 0.731878 O\n0.780726 0.243169 0.747831 O\n0.745051 0.745052 0.283209 O\n0.756831 0.219274 0.252166 O\n0.243168 0.780726 0.747831 O\n0.254949 0.254949 0.716789 O\n0.219274 0.756832 0.252166 O\n0.233928 0.233928 0.268119 O\n",
"nsites": 16,
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"elements": [
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],
"chemical_system": "Li-Ni-O",
"density": 4.793986004018559,
"density_atomic": 0.11827967751808427,
"volume": 135.27260418471883,
"volume_molar": 5.091441646075886,
"formula_full": "Li4 Ni4 O8",
"formula_reduced": "LiNiO2",
"formula_anonymous": "ABC2",
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"spacegroup": 12
},
{
"id": "jvasp-119322",
"created_at": "2022-09-04T14:38:50.788261Z",
"updated_at": "2022-09-04T14:38:50.788297Z",
"structure_string": "Li1 Mn1 P3 H1 O10\n1.0\n5.883186 0.173034 1.906492\n0.068207 5.885335 1.906492\n0.069843 0.071099 6.439344\nLi Mn P H O\n1 1 3 1 10\ndirect\n0.104693 -0.104694 0.500000 Li\n0.321287 0.678712 -0.000000 Mn\n0.798207 0.559586 0.087641 P\n0.417676 0.582324 0.499999 P\n0.440413 0.201793 0.912357 P\n0.770735 0.229265 -0.000000 H\n0.644694 0.672398 0.933819 O\n0.299924 0.990024 0.000676 O\n0.380667 0.757772 0.627296 O\n0.674006 0.596893 0.338636 O\n0.696898 0.165035 0.876490 O\n0.834965 0.303101 0.123509 O\n0.403106 0.325994 0.661363 O\n0.242228 0.619333 0.372703 O\n0.009975 0.700076 -0.000677 O\n0.327601 0.355305 0.066180 O\n",
"nsites": 16,
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"elements": [
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"Mn",
"P",
"H",
"O"
],
"chemical_system": "H-Li-Mn-O-P",
"density": 2.3692751967244305,
"density_atomic": 0.0722888214507208,
"volume": 221.33435957186245,
"volume_molar": 8.330666677288807,
"formula_full": "Li1 Mn1 P3 H1 O10",
"formula_reduced": "LiMnP3HO10",
"formula_anonymous": "ABCD3E10",
"energy_above_hull": 3.0358186713362065,
"spacegroup": 5
},
{
"id": "jvasp-119323",
"created_at": "2022-09-04T14:38:30.512663Z",
"updated_at": "2022-09-04T14:38:30.512690Z",
"structure_string": "Li4 V4 F14\n1.0\n4.943972 0.017695 0.611090\n0.558041 4.912409 0.611090\n-0.129658 -0.116181 10.083482\nLi V F\n4 4 14\ndirect\n0.261106 0.661407 0.488008 Li\n0.338593 0.738894 0.011992 Li\n0.661406 0.261105 0.988008 Li\n0.738894 0.338593 0.511992 Li\n0.723685 0.751665 0.245627 V\n0.248334 0.276315 0.254373 V\n0.751665 0.723685 0.745627 V\n0.276315 0.248334 0.754373 V\n0.437683 0.494269 0.871088 F\n0.594517 0.054620 0.627840 F\n0.931276 0.068723 0.250000 F\n0.054620 0.594518 0.127840 F\n0.020549 0.472639 0.624339 F\n-0.020550 0.527362 0.375660 F\n0.562317 0.505730 0.128912 F\n0.068724 0.931276 0.750000 F\n0.405482 0.945380 0.372160 F\n0.527361 -0.020550 0.875660 F\n0.472638 0.020549 0.124340 F\n0.494269 0.437683 0.371088 F\n0.945379 0.405482 0.872160 F\n0.505730 0.562317 0.628912 F\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Li",
"V",
"F"
],
"chemical_system": "F-Li-V",
"density": 3.3651599737909597,
"density_atomic": 0.08961475863536086,
"volume": 245.495277061641,
"volume_molar": 6.720032338092732,
"formula_full": "Li4 V4 F14",
"formula_reduced": "Li2V2F7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 0.7334300343181819,
"spacegroup": 15
},
{
"id": "jvasp-119326",
"created_at": "2022-09-04T14:38:49.472550Z",
"updated_at": "2022-09-04T14:38:49.472578Z",
"structure_string": "Li2 Mn2 F10\n1.0\n5.143933 0.079455 -0.461054\n2.487096 4.622735 1.540519\n-0.010758 -0.088188 7.001369\nLi Mn F\n2 2 10\ndirect\n0.314833 0.297441 0.767203 Li\n0.685168 0.702557 0.232798 Li\n-0.000000 -0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.137674 0.010718 0.256316 F\n0.216663 0.163234 0.562404 F\n0.025789 0.653664 0.126328 F\n0.313162 0.643730 0.629652 F\n0.616304 0.174202 0.013004 F\n0.862327 0.989280 0.743685 F\n0.383697 0.825796 0.986997 F\n0.686839 0.356268 0.370350 F\n0.974212 0.346334 0.873674 F\n0.783338 0.836764 0.437597 F\n",
"nsites": 14,
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"elements": [
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"F"
],
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"density": 3.140748701086163,
"density_atomic": 0.08439938800047402,
"volume": 165.87798006214655,
"volume_molar": 7.135289606562286,
"formula_full": "Li2 Mn2 F10",
"formula_reduced": "LiMnF5",
"formula_anonymous": "ABC5",
"energy_above_hull": 0.3082069505541869,
"spacegroup": 2
}
]
}