HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=37",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=35",
"results": [
{
"id": "jvasp-101935",
"created_at": "2022-09-04T14:37:03.566780Z",
"updated_at": "2022-09-04T14:37:03.566800Z",
"structure_string": "Zr1 H6 C5 O4\n1.0\n3.497682 -0.006282 0.378631\n1.509196 3.780050 0.603957\n0.051810 0.000040 9.016466\nZr H C O\n1 6 5 4\ndirect\n0.074543 0.963657 0.328095 Zr\n0.558497 0.098884 0.908844 H\n0.903377 0.299906 0.914074 H\n0.879902 0.581879 0.602993 H\n0.829504 0.174734 0.660711 H\n0.070791 0.652945 0.770522 H\n0.401829 0.874194 0.776901 H\n0.462156 0.486078 0.483573 C\n0.652751 0.457833 0.631266 C\n0.399327 0.457753 0.067278 C\n0.395620 0.610822 0.772769 C\n0.571104 0.360249 0.912606 C\n0.733544 0.566645 0.348882 O\n0.474522 0.147103 0.463352 O\n0.200404 0.771114 0.093199 O\n0.479204 0.200336 0.174731 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Zr",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Zr",
"density": 3.0826242117836085,
"density_atomic": 0.13420399129315144,
"volume": 119.22149144618245,
"volume_molar": 4.487303769412792,
"formula_full": "Zr1 H6 C5 O4",
"formula_reduced": "ZrH6C5O4",
"formula_anonymous": "AB4C5D6",
"energy_above_hull": 4.595323656249999,
"spacegroup": 1
},
{
"id": "jvasp-30361",
"created_at": "2022-09-04T14:37:03.831394Z",
"updated_at": "2022-09-04T14:37:03.831427Z",
"structure_string": "Mn3 V3 Te2 O16\n1.0\n5.746824 -0.001694 0.057113\n-2.877424 4.971915 0.011827\n0.102139 0.065175 10.619413\nMn V Te O\n3 3 2 16\ndirect\n0.681915 0.836380 0.208516 Mn\n0.818344 0.650113 0.711551 Mn\n0.817920 0.169136 0.711760 Mn\n0.203743 0.842300 0.221950 V\n0.187117 0.365413 0.229620 V\n0.340994 0.170426 0.735388 V\n0.322630 0.662552 0.519411 Te\n0.681287 0.339310 0.014738 Te\n0.854240 0.671930 0.108522 O\n0.648913 0.325293 0.617921 O\n0.496231 0.017089 0.817779 O\n0.496317 0.478978 0.817177 O\n0.658239 0.830189 0.612703 O\n0.337571 0.167605 0.110007 O\n0.485305 0.506159 0.312379 O\n0.003256 0.002994 0.296062 O\n0.149876 0.318368 0.608299 O\n0.983006 0.991741 0.796960 O\n0.962527 0.481534 0.802511 O\n0.351930 0.671576 0.115607 O\n0.023296 0.509966 0.321501 O\n0.150471 0.833793 0.608488 O\n0.490617 0.980484 0.310290 O\n0.854262 0.176881 0.106577 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Mn",
"V",
"Te",
"O"
],
"chemical_system": "Mn-O-Te-V",
"density": 4.537318304511753,
"density_atomic": 0.07912185029706263,
"volume": 303.32961008737925,
"volume_molar": 7.611223369258807,
"formula_full": "Mn3 V3 Te2 O16",
"formula_reduced": "Mn3V3(TeO8)2",
"formula_anonymous": "A2B3C3D16",
"energy_above_hull": 3.441489410727969,
"spacegroup": 1
},
{
"id": "jvasp-103907",
"created_at": "2022-09-04T14:37:04.042723Z",
"updated_at": "2022-09-04T14:37:04.042748Z",
"structure_string": "Zn1 H4 C4 O4\n1.0\n3.606115 -0.051682 0.104947\n-0.386197 4.595353 -1.060417\n0.767337 0.386479 7.279930\nZn H C O\n1 4 4 4\ndirect\n0.480453 0.603748 0.280277 Zn\n0.950196 0.064489 0.767964 H\n0.399970 0.162735 0.829201 H\n0.809549 0.550736 0.776367 H\n0.282956 0.666228 0.717951 H\n0.349966 0.136274 0.538876 C\n0.197468 0.214609 0.743282 C\n0.096368 0.528720 0.800894 C\n0.150377 0.623434 0.003189 C\n0.522763 0.904184 0.498911 O\n0.292437 0.287488 0.421984 O\n0.414313 0.807423 0.049331 O\n-0.033531 0.481791 0.130066 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Zn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Zn",
"density": 2.4777041266596775,
"density_atomic": 0.10688386564640655,
"volume": 121.62733749737897,
"volume_molar": 5.634284205178786,
"formula_full": "Zn1 H4 C4 O4",
"formula_reduced": "ZnH4(CO)4",
"formula_anonymous": "AB4C4D4",
"energy_above_hull": 3.961311107692308,
"spacegroup": 1
},
{
"id": "jvasp-101842",
"created_at": "2022-09-04T14:37:04.343228Z",
"updated_at": "2022-09-04T14:37:04.343253Z",
"structure_string": "H10 C18 S4 N2 O2\n1.0\n4.679759 -0.132615 -0.475027\n-0.718930 7.747461 -2.245204\n-0.227162 0.235148 10.587951\nH C S N O\n10 18 4 2 2\ndirect\n0.602214 0.834438 0.485368 H\n0.548799 0.915245 0.861605 H\n0.956860 0.068675 0.602727 H\n0.460720 0.066294 0.103178 H\n0.707139 0.579425 0.854382 H\n0.054061 0.912227 0.362020 H\n0.341197 0.330438 0.731447 H\n0.843028 0.329216 0.231664 H\n0.101908 0.834813 0.985552 H\n0.208669 0.578268 0.354404 H\n0.321370 0.062116 0.292751 C\n0.319415 0.444482 0.030840 C\n0.818534 0.444906 0.530729 C\n0.179221 0.314780 0.913768 C\n0.679255 0.314609 0.413823 C\n0.940450 0.812812 0.167156 C\n0.438450 0.813992 0.666838 C\n0.819593 0.063251 0.792480 C\n0.560955 0.573873 0.042134 C\n0.189405 0.265946 0.779037 C\n0.690775 0.265004 0.279220 C\n0.945646 0.772295 0.031681 C\n0.445199 0.772430 0.531461 C\n0.984034 0.123330 0.709215 C\n0.486338 0.121877 0.209522 C\n0.730834 0.634558 0.961184 C\n0.231090 0.634215 0.461072 C\n0.060150 0.574242 0.541962 C\n0.166324 0.687808 0.706385 S\n0.668891 0.686262 0.206710 S\n0.413902 0.182802 0.455052 S\n0.914315 0.182710 0.955025 S\n0.602336 0.930336 0.774168 N\n0.105468 0.928469 0.274538 N\n0.720736 0.443687 0.637257 O\n0.222533 0.442557 0.137456 O\n",
"nsites": 36,
"nelements": 5,
"elements": [
"H",
"C",
"S",
"N",
"O"
],
"chemical_system": "C-H-N-O-S",
"density": 1.790210341447246,
"density_atomic": 0.09362387704795544,
"volume": 384.51729553520096,
"volume_molar": 6.432270217687499,
"formula_full": "H10 C18 S4 N2 O2",
"formula_reduced": "H5C9S2NO",
"formula_anonymous": "ABC2D5E9",
"energy_above_hull": 5.484352041666666,
"spacegroup": 1
},
{
"id": "jvasp-49910",
"created_at": "2022-09-04T14:37:04.441254Z",
"updated_at": "2022-09-04T14:37:04.441274Z",
"structure_string": "Li3 Nb3 Te1 O12\n1.0\n5.156774 -0.003346 -0.002095\n0.022623 5.507440 0.014613\n0.026045 0.599437 7.547000\nLi Nb Te O\n3 3 1 12\ndirect\n0.502623 0.002645 0.753435 Li\n0.492623 0.988081 0.251948 Li\n0.003823 0.500550 0.744220 Li\n0.498358 0.561327 0.530218 Nb\n0.493247 0.569519 0.035063 Nb\n0.998404 0.064046 0.528735 Nb\n0.000991 0.079873 0.036017 Te\n0.305208 0.267915 0.112643 O\n0.692251 0.275261 0.613861 O\n0.177539 0.402934 0.503168 O\n0.820375 0.392011 0.976229 O\n0.608743 0.602315 0.290765 O\n0.810400 0.779859 0.615915 O\n0.204987 0.797670 0.112373 O\n0.136013 0.104396 0.798037 O\n0.325907 0.914962 0.488858 O\n0.694126 0.904602 0.979433 O\n0.371159 0.608940 0.797567 O\n0.865231 0.085544 0.281930 O\n",
"nsites": 19,
"nelements": 4,
"elements": [
"Li",
"Nb",
"Te",
"O"
],
"chemical_system": "Li-Nb-O-Te",
"density": 4.797577695003739,
"density_atomic": 0.08866275189223388,
"volume": 214.29517575874206,
"volume_molar": 6.792187961095181,
"formula_full": "Li3 Nb3 Te1 O12",
"formula_reduced": "Li3Nb3TeO12",
"formula_anonymous": "AB3C3D12",
"energy_above_hull": 3.090123577192982,
"spacegroup": 1
},
{
"id": "jvasp-103789",
"created_at": "2022-09-04T14:37:04.653974Z",
"updated_at": "2022-09-04T14:37:04.653996Z",
"structure_string": "H20 C18\n1.0\n5.205596 -0.187631 -1.378512\n-1.258828 6.280549 -0.159138\n-0.405847 -0.255027 9.860636\nH C\n20 18\ndirect\n0.730180 0.512744 0.167065 H\n0.533345 0.830875 0.827265 H\n0.750066 0.566060 0.407100 H\n0.250074 0.566062 0.907103 H\n0.053087 0.883924 0.566969 H\n0.553091 0.883928 0.066974 H\n0.113261 0.191425 0.207889 H\n0.613274 0.191428 0.707886 H\n0.240216 0.186752 0.487629 H\n0.740227 0.186748 -0.012373 H\n0.033331 0.830873 0.327262 H\n0.154999 0.152612 0.760364 H\n0.654993 0.152612 0.260371 H\n0.894288 0.405069 0.744729 H\n0.394276 0.405066 0.244728 H\n0.230186 0.512748 0.667070 H\n0.563270 0.064521 0.409655 H\n0.565733 0.369216 0.901505 H\n0.065730 0.369222 0.401507 H\n0.063284 0.064526 0.909651 H\n0.413055 0.592972 0.645719 C\n0.465371 0.515418 0.524369 C\n0.913052 0.592969 0.145715 C\n0.309052 0.260805 0.287525 C\n0.809063 0.260806 0.787523 C\n0.816147 0.882996 0.708357 C\n0.316141 0.882997 0.208358 C\n0.965375 0.515417 0.024367 C\n0.200013 0.621637 0.999226 C\n0.372120 0.802850 0.089830 C\n0.700012 0.621638 0.499225 C\n0.260822 0.327207 0.426950 C\n0.760831 0.327207 0.926950 C\n0.481597 0.092437 0.297374 C\n0.981605 0.092437 0.797370 C\n0.083899 0.772070 0.235843 C\n0.872123 0.802850 0.589829 C\n0.583908 0.772073 0.735847 C\n",
"nsites": 38,
"nelements": 2,
"elements": [
"H",
"C"
],
"chemical_system": "C-H",
"density": 1.242487781191952,
"density_atomic": 0.12030078091906538,
"volume": 315.87492375103716,
"volume_molar": 5.005903298376349,
"formula_full": "H20 C18",
"formula_reduced": "H10C9",
"formula_anonymous": "A9B10",
"energy_above_hull": 5.308392105263158,
"spacegroup": 1
},
{
"id": "jvasp-42690",
"created_at": "2022-09-04T14:37:04.858359Z",
"updated_at": "2022-09-04T14:37:04.858384Z",
"structure_string": "Li3 V6 O3 F15\n1.0\n5.452978 -0.015795 -0.009259\n-0.637188 7.473283 0.009925\n-2.329105 -3.678548 7.518906\nLi V O F\n3 6 3 15\ndirect\n0.414170 0.277415 0.993061 Li\n0.901207 0.533430 0.649835 Li\n0.439865 0.790520 0.017446 Li\n0.646844 0.670781 0.325148 V\n0.667280 0.173670 0.344688 V\n0.019186 0.506315 0.014099 V\n0.357673 0.332889 0.656800 V\n0.006585 0.998493 0.989409 V\n0.326776 0.851634 0.672568 V\n0.228377 0.984855 0.863955 O\n0.571981 0.320538 0.531067 O\n0.365770 0.616834 0.133146 O\n0.304234 0.010164 0.190222 F\n0.718476 0.961427 0.422640 F\n0.747502 0.990611 0.120515 F\n0.621248 0.366089 0.233268 F\n0.947638 0.696233 0.538895 F\n0.424867 0.668704 0.472428 F\n0.626695 0.370574 0.885714 F\n0.037043 0.320922 0.473366 F\n0.374765 0.633986 0.766912 F\n0.945488 0.692262 0.896311 F\n0.278164 0.042008 0.572171 F\n0.061105 0.291285 0.093026 F\n0.103174 0.335663 0.796634 F\n0.699035 0.976366 0.794871 F\n0.906695 0.677518 0.208504 F\n",
"nsites": 27,
"nelements": 4,
"elements": [
"Li",
"V",
"O",
"F"
],
"chemical_system": "F-Li-O-V",
"density": 3.5744763368082655,
"density_atomic": 0.08813485440843113,
"volume": 306.34872186748777,
"volume_molar": 6.832870832341117,
"formula_full": "Li3 V6 O3 F15",
"formula_reduced": "LiV2OF5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 1.1331414791666663,
"spacegroup": 1
},
{
"id": "jvasp-104143",
"created_at": "2022-09-04T14:37:05.024512Z",
"updated_at": "2022-09-04T14:37:05.024533Z",
"structure_string": "H20 C26 O2\n1.0\n5.210263 -0.088523 1.094767\n0.279900 8.729062 0.584224\n-0.602803 -0.621964 9.750277\nH C O\n20 26 2\ndirect\n0.889863 0.788990 0.988100 H\n0.678115 0.576645 0.387293 H\n0.678116 0.576646 0.887294 H\n0.282754 0.097626 0.169772 H\n0.652988 0.336092 0.553005 H\n0.652987 0.336091 0.053003 H\n0.267381 0.832782 0.818633 H\n0.267379 0.832782 0.318633 H\n0.055333 0.616622 0.719240 H\n0.055332 0.616621 0.219240 H\n0.282755 0.097627 0.669772 H\n0.855472 0.104510 0.936394 H\n0.850750 0.897783 0.791419 H\n0.850746 0.897784 0.291416 H\n0.873056 -0.001816 0.636339 H\n0.873054 -0.001816 0.136339 H\n0.079177 0.331811 0.285549 H\n0.079181 0.331811 0.785549 H\n0.889864 0.788990 0.488099 H\n0.855473 0.104510 0.436394 H\n0.584422 0.083440 0.295097 C\n0.353455 0.585008 0.047790 C\n0.353454 0.585007 0.547790 C\n0.704082 0.753491 0.037912 C\n0.704084 0.753493 0.537913 C\n0.363560 0.148392 0.754577 C\n0.248942 0.280393 0.318445 C\n0.588156 0.632906 0.981655 C\n0.588155 0.632905 0.481653 C\n0.363559 0.148392 0.254578 C\n0.584420 0.083443 0.795098 C\n0.248940 0.280394 0.818445 C\n0.352579 0.347406 0.425931 C\n0.356185 0.778034 0.723037 C\n0.590798 0.828869 0.658387 C\n0.590799 0.828869 0.158386 C\n0.683255 0.153023 0.403669 C\n0.683258 0.153024 0.903670 C\n0.237424 0.656674 0.668845 C\n0.237423 0.656674 0.168845 C\n0.571650 0.284272 0.469059 C\n0.571653 0.284272 0.969060 C\n0.356182 0.778033 0.223037 C\n0.734012 0.951730 0.719671 C\n0.734011 0.951731 0.219676 C\n0.352583 0.347404 0.925930 C\n0.218894 0.471804 -0.007178 O\n0.218896 0.471804 0.492822 O\n",
"nsites": 48,
"nelements": 3,
"elements": [
"H",
"C",
"O"
],
"chemical_system": "C-H-O",
"density": 1.3412663071500255,
"density_atomic": 0.10638640222846413,
"volume": 451.1854804237134,
"volume_molar": 5.660630149957972,
"formula_full": "H20 C26 O2",
"formula_reduced": "H10C13O",
"formula_anonymous": "AB10C13",
"energy_above_hull": 5.661648062499999,
"spacegroup": 1
},
{
"id": "jvasp-48610",
"created_at": "2022-09-04T14:37:05.593311Z",
"updated_at": "2022-09-04T14:37:05.593333Z",
"structure_string": "Li1 Nb1 Te2 W1 O12\n1.0\n5.107997 -0.000587 -0.000398\n-0.002268 5.381332 -0.032451\n-0.006099 -0.444567 7.415912\nLi Nb Te W O\n1 1 2 1 12\ndirect\n0.501778 0.928407 0.281941 Li\n0.506237 0.504114 0.506597 Nb\n0.004779 0.008238 0.494341 Te\n0.493465 0.504595 0.998841 Te\n0.993848 0.006215 0.989692 W\n0.693615 0.200535 0.941391 O\n0.314383 0.186324 0.429096 O\n0.824259 0.315634 0.554434 O\n0.192743 0.303414 0.056002 O\n0.376783 0.506601 0.755031 O\n0.801105 0.705915 0.938941 O\n0.874282 0.010945 0.244333 O\n0.197019 0.710172 0.435535 O\n0.694309 0.827053 0.546182 O\n0.305951 0.817910 0.059428 O\n0.611953 0.520018 0.241172 O\n0.112135 0.005034 0.749605 O\n",
"nsites": 17,
"nelements": 5,
"elements": [
"Li",
"Nb",
"Te",
"W",
"O"
],
"chemical_system": "Li-Nb-O-Te-W",
"density": 5.9558996439287775,
"density_atomic": 0.08342592110647397,
"volume": 203.77359667750525,
"volume_molar": 7.218548719784735,
"formula_full": "Li1 Nb1 Te2 W1 O12",
"formula_reduced": "LiNbTe2WO12",
"formula_anonymous": "ABCD2E12",
"energy_above_hull": 3.201250407843137,
"spacegroup": 1
},
{
"id": "jvasp-51358",
"created_at": "2022-09-04T14:37:06.235206Z",
"updated_at": "2022-09-04T14:37:06.235235Z",
"structure_string": "Tl1 In1 S2\n1.0\n4.032607 -0.035463 0.040563\n-1.265112 4.855219 -0.123716\n-1.212915 -1.190473 5.783104\nTl In S\n1 1 2\ndirect\n0.990179 0.749549 0.820200 Tl\n0.778819 0.268219 0.209195 In\n0.345908 0.197514 0.531888 S\n0.385100 0.784720 0.438713 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tl",
"In",
"S"
],
"chemical_system": "In-S-Tl",
"density": 5.649578265200412,
"density_atomic": 0.03550198542037236,
"volume": 112.66975501895878,
"volume_molar": 16.962828102972157,
"formula_full": "Tl1 In1 S2",
"formula_reduced": "TlInS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6019281425,
"spacegroup": 1
},
{
"id": "jvasp-103977",
"created_at": "2022-09-04T14:37:06.135242Z",
"updated_at": "2022-09-04T14:37:06.135275Z",
"structure_string": "Cd1 H12 C8 O4\n1.0\n3.632300 -0.084253 0.319000\n-0.049314 4.134128 1.043154\n0.313904 0.962434 13.366276\nCd H C O\n1 12 8 4\ndirect\n0.050090 0.382931 0.182220 Cd\n0.259525 0.321149 0.539828 H\n0.519327 0.762403 0.908232 H\n0.958716 0.890899 0.922741 H\n0.406012 0.035603 0.731457 H\n0.885879 0.104968 0.702432 H\n0.340063 0.658658 0.656899 H\n0.740065 0.333406 0.504027 H\n0.381351 0.396809 0.845954 H\n0.862899 0.466923 0.821938 H\n0.283993 0.948599 0.466832 H\n0.753712 0.950477 0.426905 H\n0.817055 0.706639 0.618047 H\n0.511591 0.967104 0.028691 C\n0.674429 0.969883 0.919394 C\n0.639102 0.284302 0.828095 C\n0.631619 0.219755 0.722461 C\n0.515731 0.472533 0.528353 C\n0.496474 0.799464 0.441003 C\n0.396002 0.794775 0.334967 C\n0.577466 0.532141 0.632011 C\n0.581529 0.710729 0.106510 O\n0.178377 0.570936 0.328887 O\n0.514628 0.052898 0.254978 O\n0.287762 0.180768 0.038894 O\n",
"nsites": 25,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 2.404281795709773,
"density_atomic": 0.12719130908733364,
"volume": 196.55431003414074,
"volume_molar": 4.7347108880411035,
"formula_full": "Cd1 H12 C8 O4",
"formula_reduced": "CdH12(C2O)4",
"formula_anonymous": "AB4C8D12",
"energy_above_hull": 4.42290015,
"spacegroup": 1
},
{
"id": "jvasp-103794",
"created_at": "2022-09-04T14:37:05.988015Z",
"updated_at": "2022-09-04T14:37:05.988037Z",
"structure_string": "H10 C4 N2 O2\n1.0\n4.535152 0.106244 -0.499855\n-1.730735 4.313900 -0.900475\n-0.007019 0.135571 6.619078\nH C N O\n10 4 2 2\ndirect\n0.729433 0.691866 0.959211 H\n0.924822 0.534618 0.238161 H\n0.255573 0.867497 0.033105 H\n0.230077 0.689018 0.459028 H\n0.423766 0.538563 0.738403 H\n0.583484 -0.000044 0.242354 H\n0.757795 0.870504 0.533350 H\n0.294617 0.216352 0.450597 H\n0.786245 0.217967 0.949533 H\n0.082694 0.005219 0.744678 H\n0.823700 0.921322 0.703503 C\n0.681210 0.636289 0.787247 C\n0.324308 0.917756 0.203029 C\n0.182232 0.632867 0.287077 C\n0.687892 0.145888 0.793459 N\n0.191912 0.143842 0.295295 N\n0.825218 0.420058 0.710027 O\n0.326990 0.417007 0.210395 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"H",
"C",
"N",
"O"
],
"chemical_system": "C-H-N-O",
"density": 1.4932331977159077,
"density_atomic": 0.13701706626574373,
"volume": 131.37049632261952,
"volume_molar": 4.3951756698104285,
"formula_full": "H10 C4 N2 O2",
"formula_reduced": "H5C2NO",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 4.260558527777777,
"spacegroup": 1
}
]
}