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"results": [
{
"id": "jvasp-29949",
"created_at": "2022-09-04T14:38:16.961723Z",
"updated_at": "2022-09-04T14:38:16.961742Z",
"structure_string": "Sn3 P4 O14\n1.0\n5.528216 0.024170 0.439559\n2.929194 6.522867 -0.179817\n0.313431 0.910077 9.006561\nSn P O\n3 4 14\ndirect\n0.762267 0.396010 0.327977 Sn\n0.237733 0.603991 0.672023 Sn\n0.000000 0.000000 0.000000 Sn\n0.654555 0.692104 0.958133 P\n0.884080 0.347121 0.715441 P\n0.115920 0.652880 0.284558 P\n0.345444 0.307896 0.041867 P\n0.863700 0.652861 0.370239 O\n0.348635 0.410320 0.891407 O\n0.651365 0.589681 0.108592 O\n0.136299 0.347140 0.629761 O\n0.658774 0.408897 0.613018 O\n0.829140 0.814254 0.934753 O\n0.797265 0.521108 0.834911 O\n0.074644 0.858002 0.202995 O\n0.202734 0.478893 0.165089 O\n0.170859 0.185747 0.065247 O\n0.624788 0.183693 0.095710 O\n0.925356 0.141999 0.797005 O\n0.341226 0.591104 0.386981 O\n0.375212 0.816307 0.904290 O\n",
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"volume_molar": 9.328976240329196,
"formula_full": "Sn3 P4 O14",
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"formula_anonymous": "A3B4C14",
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"spacegroup": 2
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{
"id": "jvasp-43476",
"created_at": "2022-09-04T14:37:13.314985Z",
"updated_at": "2022-09-04T14:37:13.315006Z",
"structure_string": "Li4 Nb4 Cu4 O16\n1.0\n5.804602 0.000000 -0.000000\n-0.000000 5.804602 0.000000\n0.000000 -0.000000 9.655446\nLi Nb Cu O\n4 4 4 16\ndirect\n0.000000 0.240753 0.000000 Li\n0.000000 0.759247 0.500000 Li\n0.240753 0.000000 0.250000 Li\n0.759247 0.000000 0.750000 Li\n0.256541 0.256541 0.625000 Nb\n0.256541 0.743459 0.875000 Nb\n0.743459 0.256541 0.375000 Nb\n0.743459 0.743459 0.125000 Nb\n0.759242 0.500000 0.750000 Cu\n0.500000 0.759242 0.500000 Cu\n0.500000 0.240757 0.000000 Cu\n0.240757 0.500000 0.250000 Cu\n0.743386 0.994223 0.492104 O\n0.743386 0.005777 0.007897 O\n0.742455 0.481037 0.009855 O\n0.742455 0.518963 0.490145 O\n0.518963 0.742455 0.759856 O\n0.518963 0.257544 0.740145 O\n0.481037 0.742455 0.240145 O\n0.005777 0.743386 0.242103 O\n0.257544 0.518963 0.509855 O\n0.257544 0.481037 0.990145 O\n0.256613 0.994223 0.507897 O\n0.256613 0.005777 0.992104 O\n0.994223 0.256613 0.742104 O\n0.005777 0.256613 0.257897 O\n0.481037 0.257544 0.259855 O\n0.994223 0.743386 0.757897 O\n",
"nsites": 28,
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"density": 4.642640852155139,
"density_atomic": 0.0860678189769293,
"volume": 325.3248465318433,
"volume_molar": 6.99697149478628,
"formula_full": "Li4 Nb4 Cu4 O16",
"formula_reduced": "LiNbCuO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 95
},
{
"id": "jvasp-104097",
"created_at": "2022-09-04T14:36:41.208239Z",
"updated_at": "2022-09-04T14:36:41.208272Z",
"structure_string": "H8 C16 S4\n1.0\n7.451096 0.000000 0.000000\n0.000000 5.603238 0.000000\n0.000000 0.000000 7.792399\nH C S\n8 16 4\ndirect\n0.639387 0.379576 0.080612 H\n0.360613 0.620424 0.580612 H\n0.139387 0.120424 0.080612 H\n0.860614 0.879576 0.580612 H\n0.639394 0.379588 0.416380 H\n0.360607 0.620412 0.916380 H\n0.139394 0.120412 0.416380 H\n0.860607 0.879588 0.916380 H\n0.987486 0.529339 0.587148 C\n0.012514 0.470661 0.087148 C\n0.487486 0.970661 0.587148 C\n0.512514 0.029339 0.087148 C\n0.912782 0.733704 0.658177 C\n0.087219 0.266297 0.158177 C\n0.412781 0.766297 0.658177 C\n0.587219 0.233703 0.158177 C\n0.412781 0.766298 0.838828 C\n0.087219 0.266298 0.338828 C\n0.587220 0.233702 0.338828 C\n0.987486 0.529336 0.909855 C\n0.012514 0.470664 0.409855 C\n0.487486 0.970665 0.909855 C\n0.512515 0.029336 0.409855 C\n0.912781 0.733702 0.838828 C\n0.942161 0.665896 0.248500 S\n0.442160 0.834104 0.248500 S\n0.557840 0.165896 0.748500 S\n0.057840 0.334104 0.748500 S\n",
"nsites": 28,
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"elements": [
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"C",
"S"
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"density_atomic": 0.08606520762763722,
"volume": 325.33471738245885,
"volume_molar": 6.997183793542807,
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},
{
"id": "jvasp-100128",
"created_at": "2022-09-04T14:36:21.469157Z",
"updated_at": "2022-09-04T14:36:21.469167Z",
"structure_string": "Rb2 Na1 Sc1 Br6\n1.0\n6.685697 -0.000000 3.859988\n2.228566 6.303335 3.859988\n0.000000 0.000000 7.719978\nRb Na Sc Br\n2 1 1 6\ndirect\n0.750001 0.749999 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500001 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Sc\n0.758833 0.241167 0.241167 Br\n0.241168 0.241167 0.758833 Br\n0.241168 0.758832 0.758833 Br\n0.241168 0.758832 0.241167 Br\n0.758833 0.241167 0.758833 Br\n0.758834 0.758832 0.241167 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
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"Br"
],
"chemical_system": "Br-Na-Rb-Sc",
"density": 3.6662748121055064,
"density_atomic": 0.03073738084123235,
"volume": 325.3367634559676,
"volume_molar": 19.592237839346613,
"formula_full": "Rb2 Na1 Sc1 Br6",
"formula_reduced": "Rb2NaScBr6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "jvasp-43490",
"created_at": "2022-09-04T14:37:01.903427Z",
"updated_at": "2022-09-04T14:37:01.903450Z",
"structure_string": "Zr8 O16\n1.0\n5.581059 -0.000000 0.000000\n-0.000000 5.811741 0.000000\n0.000000 0.000000 10.030590\nZr O\n8 16\ndirect\n0.148040 0.906562 0.129827 Zr\n0.648040 0.593438 0.129827 Zr\n0.148040 0.406562 0.370173 Zr\n0.648040 0.093438 0.370173 Zr\n0.351960 0.906562 0.629827 Zr\n0.851960 0.593438 0.629827 Zr\n0.351960 0.406562 0.870173 Zr\n0.851960 0.093438 0.870173 Zr\n0.524423 0.123313 0.768024 O\n0.024423 0.376687 0.768024 O\n0.524423 0.623313 0.731976 O\n0.024423 0.876687 0.731976 O\n0.171213 0.655074 0.514476 O\n0.671214 0.844926 0.514476 O\n0.828787 0.344926 0.485524 O\n0.975577 0.623313 0.231976 O\n0.975577 0.123313 0.268024 O\n0.475577 0.376687 0.268024 O\n0.671214 0.344926 0.985524 O\n0.475577 0.876687 0.231976 O\n0.328787 0.655074 0.014476 O\n0.828787 0.844926 0.014476 O\n0.328787 0.155074 0.485524 O\n0.171213 0.155074 0.985524 O\n",
"nsites": 24,
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"elements": [
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],
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"density": 5.031306944650313,
"density_atomic": 0.073766961888353,
"volume": 325.34890126455565,
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"formula_full": "Zr8 O16",
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"spacegroup": 61
},
{
"id": "jvasp-44593",
"created_at": "2022-09-04T14:37:06.999583Z",
"updated_at": "2022-09-04T14:37:06.999616Z",
"structure_string": "Li4 Mn3 Sn5 O16\n1.0\n-6.162951 0.045583 -0.018216\n3.040057 5.327994 -0.051160\n-0.030420 -0.223729 -9.866661\nLi Mn Sn O\n4 3 5 16\ndirect\n0.328816 0.668994 0.105439 Li\n0.012271 0.031799 0.015262 Li\n0.014924 0.013752 0.503391 Li\n0.670799 0.335434 0.594257 Li\n0.169964 0.336937 0.784579 Mn\n0.338638 0.170719 0.287406 Mn\n0.823134 0.160066 0.286661 Mn\n0.651189 0.320764 0.014616 Sn\n0.834747 0.658982 0.285136 Sn\n0.660328 0.829506 0.786863 Sn\n0.336335 0.655934 0.505031 Sn\n0.164965 0.826371 0.785165 Sn\n0.317067 0.161012 0.902170 O\n0.655231 0.319871 0.389271 O\n0.958740 0.462631 0.158178 O\n0.532905 0.509454 0.150667 O\n0.183681 0.320812 0.402087 O\n0.839179 0.676182 0.905446 O\n0.500222 0.527153 0.653282 O\n0.482164 0.969045 0.657159 O\n0.683046 0.846639 0.403032 O\n0.011353 0.011341 0.197930 O\n-0.001648 0.000086 0.686991 O\n0.331422 0.666067 0.898719 O\n0.484311 0.033935 0.160324 O\n0.153187 0.819356 0.408686 O\n0.038290 0.514017 0.656475 O\n0.824430 0.153118 0.907944 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
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],
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"density": 5.317503433700697,
"density_atomic": 0.08603983970563085,
"volume": 325.43063882727745,
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"formula_full": "Li4 Mn3 Sn5 O16",
"formula_reduced": "Li4Mn3Sn5O16",
"formula_anonymous": "A3B4C5D16",
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"spacegroup": 1
},
{
"id": "jvasp-40696",
"created_at": "2022-09-04T14:37:19.709700Z",
"updated_at": "2022-09-04T14:37:19.709723Z",
"structure_string": "Li4 Mn4 P4 O16\n1.0\n5.499150 0.000000 0.000000\n0.000000 7.401838 0.000000\n0.000000 0.000000 7.995618\nLi Mn P O\n4 4 4 16\ndirect\n0.363534 0.487738 0.234997 Li\n0.363534 0.987738 0.265003 Li\n0.863534 0.012262 0.734997 Li\n0.863534 0.512262 0.765003 Li\n0.981114 0.791162 0.073720 Mn\n0.981114 0.291162 0.426280 Mn\n0.481114 0.708839 0.573720 Mn\n0.481114 0.208839 0.926280 Mn\n0.500095 0.753220 0.958113 P\n0.500095 0.253220 0.541887 P\n0.000095 0.746780 0.458113 P\n0.000095 0.246780 0.041887 P\n0.618335 0.945526 0.944389 O\n0.330352 0.714904 0.809583 O\n0.330352 0.214903 0.690418 O\n0.618335 0.445526 0.555611 O\n0.853166 0.761515 0.624711 O\n0.722766 0.123569 0.537377 O\n0.222766 0.876432 0.462623 O\n0.353166 0.738486 0.124711 O\n0.118335 0.554474 0.444389 O\n0.830352 0.785097 0.309583 O\n0.830352 0.285097 0.190417 O\n0.118335 0.054474 0.055611 O\n0.853166 0.261515 0.875289 O\n0.222766 0.376431 0.037377 O\n0.353166 0.238485 0.375289 O\n0.722766 0.623569 0.962623 O\n",
"nsites": 28,
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"elements": [
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"density_atomic": 0.0860341460856996,
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"volume_molar": 6.999710038385546,
"formula_full": "Li4 Mn4 P4 O16",
"formula_reduced": "LiMnPO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 33
},
{
"id": "jvasp-49216",
"created_at": "2022-09-04T14:38:04.506890Z",
"updated_at": "2022-09-04T14:38:04.506904Z",
"structure_string": "Pr6 Ta2 O14\n1.0\n6.721436 -0.024359 -0.000000\n-2.445870 6.260671 0.000000\n-0.000000 0.000000 7.744995\nPr Ta O\n6 2 14\ndirect\n0.524943 0.073418 0.250000 Pr\n0.475057 0.926581 0.750000 Pr\n0.073418 0.524943 0.250000 Pr\n0.926582 0.475057 0.750000 Pr\n0.000000 0.000000 0.500000 Pr\n0.000000 0.000000 0.000000 Pr\n0.500000 0.500000 0.500000 Ta\n0.500000 0.500000 0.000000 Ta\n0.439473 0.188010 0.535966 O\n0.560527 0.811989 0.035966 O\n0.811990 0.560527 0.035966 O\n0.569646 0.569646 0.750000 O\n0.439473 0.188010 0.964035 O\n0.811990 0.560527 0.464035 O\n0.188011 0.439473 0.964035 O\n0.155317 0.893890 0.250000 O\n0.844684 0.106109 0.750000 O\n0.893891 0.155316 0.250000 O\n0.106109 0.844683 0.750000 O\n0.430354 0.430354 0.250000 O\n0.560527 0.811989 0.464035 O\n0.188011 0.439473 0.535966 O\n",
"nsites": 22,
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"elements": [
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],
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"density": 7.302996460459266,
"density_atomic": 0.06759800989582607,
"volume": 325.4533681376679,
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"formula_full": "Pr6 Ta2 O14",
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"formula_anonymous": "AB3C7",
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"spacegroup": 63
},
{
"id": "jvasp-106137",
"created_at": "2022-09-04T14:35:59.826090Z",
"updated_at": "2022-09-04T14:35:59.826108Z",
"structure_string": "Al4 Te6\n1.0\n6.595401 -0.031823 3.268138\n2.540539 6.086541 3.268138\n-0.038154 -0.025286 8.063951\nAl Te\n4 6\ndirect\n0.177205 0.987160 0.496954 Al\n0.808733 0.676904 0.504297 Al\n0.987161 0.177205 0.996953 Al\n0.676904 0.808733 0.004297 Al\n0.301405 0.140263 0.111317 Te\n0.987292 0.773748 0.118257 Te\n0.615821 0.448065 0.144128 Te\n0.140264 0.301405 0.611317 Te\n0.773748 0.987292 0.618257 Te\n0.448065 0.615821 0.644128 Te\n",
"nsites": 10,
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"elements": [
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],
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"density": 4.456808275991182,
"density_atomic": 0.030725498775777692,
"volume": 325.4625766362971,
"volume_molar": 19.599814486160685,
"formula_full": "Al4 Te6",
"formula_reduced": "Al2Te3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.2049097800000004,
"spacegroup": 9
},
{
"id": "jvasp-119349",
"created_at": "2022-09-04T14:38:49.220507Z",
"updated_at": "2022-09-04T14:38:49.220535Z",
"structure_string": "Li4 Mn1 P6 O18\n1.0\n6.638374 0.115127 -2.623276\n-2.174226 6.472070 -2.539025\n0.463874 -0.389218 7.555465\nLi Mn P O\n4 1 6 18\ndirect\n0.389827 0.145143 0.572841 Li\n0.482998 0.529387 0.986201 Li\n0.602122 0.845724 0.416360 Li\n0.229902 0.941435 0.099892 Li\n0.796983 0.072282 0.927391 Mn\n0.994491 0.750694 0.323603 P\n0.220155 0.447215 0.247601 P\n0.317916 0.766040 0.672807 P\n0.680652 0.228306 0.330858 P\n0.009325 0.253653 0.676392 P\n0.776516 0.548317 0.749783 P\n0.293977 0.527211 0.500028 O\n0.092407 0.785898 0.566205 O\n0.771391 0.734634 0.260626 O\n0.379445 0.566038 0.212119 O\n0.010378 0.515073 0.195285 O\n0.345685 0.772343 0.878012 O\n0.845048 0.784531 0.864391 O\n0.704816 0.468243 0.497069 O\n0.231943 0.271176 0.741263 O\n0.657419 0.217001 0.123671 O\n0.987558 0.484194 0.804354 O\n0.619016 0.426912 0.785044 O\n0.480700 0.918593 0.665240 O\n0.909966 0.213510 0.435066 O\n0.521903 0.077335 0.339682 O\n0.863326 0.093657 0.689333 O\n0.143466 0.209401 0.129931 O\n0.140644 0.906057 0.308932 O\n",
"nsites": 29,
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"elements": [
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],
"chemical_system": "Li-Mn-O-P",
"density": 2.8394705921186927,
"density_atomic": 0.08910349041203537,
"volume": 325.46424237588474,
"volume_molar": 6.758591310118396,
"formula_full": "Li4 Mn1 P6 O18",
"formula_reduced": "Li4Mn(PO3)6",
"formula_anonymous": "AB4C6D18",
"energy_above_hull": 2.945827697978597,
"spacegroup": 1
},
{
"id": "jvasp-10481",
"created_at": "2022-09-04T14:36:32.000242Z",
"updated_at": "2022-09-04T14:36:32.000262Z",
"structure_string": "K4 Na2 Al2 As4\n1.0\n6.029266 -0.000000 -2.400363\n-1.024763 6.109329 -2.574015\n0.016534 0.033440 8.813911\nK Na Al As\n4 2 2 4\ndirect\n0.324256 0.558766 0.648512 K\n0.175745 0.910255 0.351487 K\n0.675745 0.441234 0.351488 K\n0.824256 0.089746 0.648513 K\n0.250000 0.500000 -0.000000 Na\n0.750001 0.500000 0.000000 Na\n0.250000 -0.000000 0.000000 Al\n0.750001 -0.000000 0.000000 Al\n0.904021 0.701411 0.808041 As\n0.095980 0.298589 0.191959 As\n0.595980 0.893370 0.191959 As\n0.404020 0.106630 0.808041 As\n",
"nsites": 12,
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"elements": [
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"As"
],
"chemical_system": "Al-As-K-Na",
"density": 2.836530680827128,
"density_atomic": 0.0368661248814763,
"volume": 325.5020710362076,
"volume_molar": 16.33516074542968,
"formula_full": "K4 Na2 Al2 As4",
"formula_reduced": "K2NaAlAs2",
"formula_anonymous": "ABC2D2",
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"spacegroup": 72
},
{
"id": "jvasp-19034",
"created_at": "2022-09-04T14:37:28.817682Z",
"updated_at": "2022-09-04T14:37:28.817710Z",
"structure_string": "Sr2 Te6 O16\n1.0\n6.893352 -0.000000 0.000000\n0.000000 6.893352 0.000000\n0.000000 0.000000 6.850059\nSr Te O\n2 6 16\ndirect\n0.000000 0.000000 0.250000 Sr\n0.000000 0.000000 0.750000 Sr\n0.779982 0.561757 0.000000 Te\n0.561757 0.220017 0.500000 Te\n0.438243 0.779982 0.500000 Te\n0.220017 0.438243 0.000000 Te\n0.500000 0.000000 0.000000 Te\n-0.000000 0.500000 0.500000 Te\n0.589308 0.190436 0.193882 O\n0.809564 0.589308 0.693882 O\n0.809564 0.589308 0.306118 O\n0.589308 0.190436 0.806118 O\n0.410692 0.809564 0.806118 O\n0.190436 0.410692 0.306118 O\n0.242943 0.117227 0.000000 O\n0.045236 0.678426 0.000000 O\n0.882773 0.242943 0.500000 O\n0.757056 0.882773 0.000000 O\n0.410692 0.809564 0.193882 O\n0.678426 0.954764 0.500000 O\n0.321574 0.045236 0.500000 O\n0.954764 0.321574 0.000000 O\n0.117227 0.757056 0.500000 O\n0.190436 0.410692 0.693882 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Sr",
"Te",
"O"
],
"chemical_system": "O-Sr-Te",
"density": 6.1055738102671135,
"density_atomic": 0.07373200062840227,
"volume": 325.50317088174836,
"volume_molar": 8.167607970317592,
"formula_full": "Sr2 Te6 O16",
"formula_reduced": "SrTe3O8",
"formula_anonymous": "AB3C8",
"energy_above_hull": 2.0515923008333337,
"spacegroup": 84
}
]
}