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=chemical_system&page=278",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=276",
"results": [
{
"id": "jvasp-22421",
"created_at": "2022-09-04T14:38:29.486252Z",
"updated_at": "2022-09-04T14:38:29.486280Z",
"structure_string": "K2 Al1 F5\n1.0\n5.896080 -0.000000 0.000000\n0.000000 5.896080 0.000000\n0.000000 -0.000000 3.716327\nK Al F\n2 1 5\ndirect\n0.000000 0.500000 0.500000 K\n0.500000 0.000000 0.500000 K\n0.000000 0.000000 0.000000 Al\n0.783074 0.783074 0.000000 F\n0.783074 0.216926 0.000000 F\n0.216926 0.783074 0.000000 F\n0.000000 0.000000 0.500000 F\n0.216926 0.216926 0.000000 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"K",
"Al",
"F"
],
"chemical_system": "Al-F-K",
"density": 2.572810303703788,
"density_atomic": 0.061922621118011154,
"volume": 129.1934975548552,
"volume_molar": 9.725267844400674,
"formula_full": "K2 Al1 F5",
"formula_reduced": "K2AlF5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 0.007819375,
"spacegroup": 123
},
{
"id": "jvasp-61646",
"created_at": "2022-09-04T14:35:41.293429Z",
"updated_at": "2022-09-04T14:35:41.293456Z",
"structure_string": "K3 Al1 F6\n1.0\n0.000000 4.297608 4.297608\n4.297608 -0.000000 4.297608\n4.297608 4.297608 -0.000000\nK Al F\n3 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 K\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 Al\n0.287435 0.712565 0.712565 F\n0.712565 0.287435 0.287435 F\n0.712565 0.287435 0.712565 F\n0.287435 0.712565 0.287435 F\n0.287435 0.287435 0.712565 F\n0.712565 0.712565 0.287435 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
"K",
"Al",
"F"
],
"chemical_system": "Al-F-K",
"density": 2.7015149935959455,
"density_atomic": 0.06299261043748008,
"volume": 158.7487791115588,
"volume_molar": 9.56007493287955,
"formula_full": "K3 Al1 F6",
"formula_reduced": "K3AlF6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-58438",
"created_at": "2022-09-04T14:38:18.954430Z",
"updated_at": "2022-09-04T14:38:18.954455Z",
"structure_string": "K2 Li1 Al1 F6\n1.0\n4.813989 0.000000 2.779357\n1.604663 4.538672 2.779357\n0.000000 0.000000 5.558716\nK Li Al F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750002 K\n0.250000 0.250000 0.250001 K\n0.500000 0.500000 0.500001 Li\n0.000000 0.000000 0.000000 Al\n0.765977 0.234023 0.234024 F\n0.765977 0.234023 0.765978 F\n0.234023 0.765976 0.765978 F\n0.234023 0.234023 0.765978 F\n0.765977 0.765976 0.234024 F\n0.234023 0.765976 0.234024 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Li",
"Al",
"F"
],
"chemical_system": "Al-F-K-Li",
"density": 3.091431587222437,
"density_atomic": 0.08233635214600107,
"volume": 121.45303671296642,
"volume_molar": 7.314072828149315,
"formula_full": "K2 Li1 Al1 F6",
"formula_reduced": "K2LiAlF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-96877",
"created_at": "2022-09-04T14:36:04.332974Z",
"updated_at": "2022-09-04T14:36:04.333004Z",
"structure_string": "K6 Li3 Al3 F18\n1.0\n4.301489 2.483466 10.095940\n-4.301489 2.483466 10.095940\n-0.000000 -4.966933 10.095940\nK Li Al F\n6 3 3 18\ndirect\n0.908239 0.908239 0.908238 K\n0.091761 0.091761 0.091761 K\n0.574906 0.574906 0.574905 K\n0.758429 0.758429 0.758427 K\n0.241572 0.241572 0.241571 K\n0.425095 0.425095 0.425094 K\n0.500000 0.500000 0.499999 Li\n0.166667 0.166667 0.166667 Li\n0.833334 0.833334 0.833332 Li\n0.333333 0.333333 0.333333 Al\n0.000000 0.000000 0.000000 Al\n0.666667 0.666667 0.666666 Al\n0.084751 0.584798 0.584797 F\n0.751417 0.251463 0.251463 F\n0.415203 0.915250 0.415202 F\n0.415203 0.415203 0.915249 F\n0.915250 0.415203 0.415202 F\n0.584798 0.084751 0.584797 F\n0.584798 0.584798 0.084750 F\n0.748537 0.248584 0.748536 F\n0.081870 0.581917 0.081869 F\n0.248584 0.748537 0.748536 F\n0.918131 0.418084 0.918129 F\n0.918131 0.918131 0.418082 F\n0.418084 0.918131 0.918129 F\n0.251463 0.251463 0.751416 F\n0.081870 0.081870 0.581916 F\n0.581917 0.081870 0.081869 F\n0.748537 0.748537 0.248583 F\n0.251463 0.751417 0.251463 F\n",
"nsites": 30,
"nelements": 4,
"elements": [
"K",
"Li",
"Al",
"F"
],
"chemical_system": "Al-F-K-Li",
"density": 1.740660875891065,
"density_atomic": 0.04636029062926864,
"volume": 647.1055205391681,
"volume_molar": 12.98986843753314,
"formula_full": "K6 Li3 Al3 F18",
"formula_reduced": "K2LiAlF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.2406210000000003,
"spacegroup": 191
},
{
"id": "jvasp-22176",
"created_at": "2022-09-04T14:37:46.740067Z",
"updated_at": "2022-09-04T14:37:46.740098Z",
"structure_string": "K4 Li2 Al2 F12\n1.0\n5.387175 0.001929 8.147248\n2.451439 4.797093 8.147248\n0.003151 0.001929 9.767256\nK Li Al F\n4 2 2 12\ndirect\n0.127722 0.127721 0.127721 K\n0.280927 0.280926 0.280927 K\n0.719074 0.719073 0.719074 K\n0.872279 0.872278 0.872279 K\n0.597348 0.597348 0.597348 Li\n0.402652 0.402652 0.402652 Li\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.271864 0.807080 0.807080 F\n0.610709 0.160049 0.610709 F\n0.610709 0.610708 0.160049 F\n0.160049 0.610708 0.610709 F\n0.192921 0.728136 0.192920 F\n0.389292 0.839950 0.389292 F\n0.389292 0.389291 0.839951 F\n0.807080 0.271864 0.807080 F\n0.807081 0.807080 0.271864 F\n0.192920 0.192920 0.728136 F\n0.728137 0.192920 0.192920 F\n0.839952 0.389291 0.389291 F\n",
"nsites": 20,
"nelements": 4,
"elements": [
"K",
"Li",
"Al",
"F"
],
"chemical_system": "Al-F-K-Li",
"density": 2.977536110775378,
"density_atomic": 0.07930289085404109,
"volume": 252.197615807102,
"volume_molar": 7.593847708633847,
"formula_full": "K4 Li2 Al2 F12",
"formula_reduced": "K2LiAlF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0007550000000003,
"spacegroup": 166
},
{
"id": "jvasp-120477",
"created_at": "2022-09-04T14:38:52.790918Z",
"updated_at": "2022-09-04T14:38:52.790945Z",
"structure_string": "K1 Li1 Al2 Si4 O10 F2\n1.0\n5.289807 -0.005804 0.499156\n-2.718660 4.537728 0.499156\n-0.008150 -0.014365 10.344890\nK Li Al Si O F\n1 1 2 4 10 2\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 Li\n0.830140 0.169861 0.500000 Al\n0.169861 0.830139 0.500000 Al\n0.585721 0.248953 0.231384 Si\n0.414279 0.751047 0.768617 Si\n0.751047 0.414279 0.768617 Si\n0.248953 0.585721 0.231384 Si\n0.546233 0.546232 0.824584 O\n0.453768 0.453768 0.175417 O\n0.171460 0.537112 0.396838 O\n0.828541 0.462889 0.603163 O\n0.462889 0.828541 0.603163 O\n0.571853 0.059600 0.831700 O\n0.940401 0.428148 0.168300 O\n0.059600 0.571852 0.831701 O\n0.428148 0.940400 0.168300 O\n0.537112 0.171460 0.396838 O\n0.878498 0.878498 0.412126 F\n0.121503 0.121502 0.587875 F\n",
"nsites": 20,
"nelements": 6,
"elements": [
"K",
"Li",
"Al",
"Si",
"O",
"F"
],
"chemical_system": "Al-F-K-Li-O-Si",
"density": 2.7449626924377477,
"density_atomic": 0.08057096920373032,
"volume": 248.22836559689824,
"volume_molar": 7.474330791246314,
"formula_full": "K1 Li1 Al2 Si4 O10 F2",
"formula_reduced": "KLiAl2Si4(O5F)2",
"formula_anonymous": "ABC2D2E4F10",
"energy_above_hull": 2.35972067825,
"spacegroup": 12
},
{
"id": "jvasp-120529",
"created_at": "2022-09-04T14:38:45.025291Z",
"updated_at": "2022-09-04T14:38:45.025309Z",
"structure_string": "K1 Mg3 Al1 Si3 O11 F1\n1.0\n5.280604 -0.004683 -0.537238\n-2.711294 4.600493 -0.425587\n-0.015260 -0.027790 10.067217\nK Mg Al Si O F\n1 3 1 3 11 1\ndirect\n0.939084 0.942736 0.826880 K\n0.449441 0.450769 0.341916 Mg\n0.784421 0.116985 0.344639 Mg\n0.115076 0.773897 0.340657 Mg\n0.529006 0.202894 0.619399 Al\n0.204313 0.541301 0.622181 Si\n0.355617 0.688611 0.063578 Si\n0.688346 0.354345 0.063802 Si\n0.489814 0.491043 0.002694 O\n0.453046 0.467489 0.681268 O\n0.899533 0.324434 0.674678 O\n0.311627 0.877798 0.679721 O\n0.749133 0.410386 0.227082 O\n0.152725 0.489383 0.453882 O\n-0.000176 0.511397 0.002222 O\n0.512333 0.002067 0.004349 O\n0.087504 0.081129 0.243614 O\n0.474483 0.145652 0.439644 O\n0.413815 0.740481 0.226962 O\n0.810857 0.807203 0.440827 F\n",
"nsites": 20,
"nelements": 6,
"elements": [
"K",
"Mg",
"Al",
"Si",
"O",
"F"
],
"chemical_system": "Al-F-K-Mg-O-Si",
"density": 2.8428738121268546,
"density_atomic": 0.08186714642483629,
"volume": 244.29824262120044,
"volume_molar": 7.355992022427502,
"formula_full": "K1 Mg3 Al1 Si3 O11 F1",
"formula_reduced": "KMg3AlSi3O11F",
"formula_anonymous": "ABCD3E3F11",
"energy_above_hull": 2.000029126625,
"spacegroup": 1
},
{
"id": "jvasp-101479",
"created_at": "2022-09-04T14:36:35.856386Z",
"updated_at": "2022-09-04T14:36:35.856407Z",
"structure_string": "K1 Na2 Al1 F6\n1.0\n5.186480 -0.000000 2.994416\n1.728827 4.889860 2.994416\n-0.000000 -0.000000 5.988831\nK Na Al F\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 K\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750001 Na\n0.000000 0.000000 0.000000 Al\n0.214286 0.214285 0.785715 F\n0.214286 0.785715 0.785715 F\n0.785715 0.785715 0.214286 F\n0.214286 0.785715 0.214286 F\n0.785715 0.214285 0.785715 F\n0.785715 0.214285 0.214286 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Na",
"Al",
"F"
],
"chemical_system": "Al-F-K-Na",
"density": 2.4713942227047507,
"density_atomic": 0.06583984647356075,
"volume": 151.8837077485545,
"volume_molar": 9.14665067212498,
"formula_full": "K1 Na2 Al1 F6",
"formula_reduced": "KNa2AlF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-21387",
"created_at": "2022-09-04T14:38:32.119918Z",
"updated_at": "2022-09-04T14:38:32.119952Z",
"structure_string": "K2 Na1 Al1 F6\n1.0\n4.983248 -0.000000 2.877080\n1.661083 4.698252 2.877080\n-0.000000 -0.000000 5.754160\nK Na Al F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Al\n0.225059 0.774940 0.774941 F\n0.225059 0.774940 0.225060 F\n0.774940 0.225060 0.774940 F\n0.225060 0.225060 0.774940 F\n0.774940 0.225060 0.225060 F\n0.774940 0.774940 0.225060 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Na",
"Al",
"F"
],
"chemical_system": "Al-F-K-Na",
"density": 2.9848173674096476,
"density_atomic": 0.07422825616773876,
"volume": 134.71958680266317,
"volume_molar": 8.113003148546758,
"formula_full": "K2 Na1 Al1 F6",
"formula_reduced": "K2NaAlF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-97867",
"created_at": "2022-09-04T14:36:04.289974Z",
"updated_at": "2022-09-04T14:36:04.290011Z",
"structure_string": "K4 Nb11 Al2 O20 F1\n1.0\n7.715780 0.000000 -4.404432\n-2.514201 7.294660 -4.404432\n-0.000582 -0.000815 8.959534\nK Nb Al O F\n4 11 2 20 1\ndirect\n0.500000 0.808217 0.000000 K\n0.191783 0.500000 0.000000 K\n0.808217 0.500000 0.000000 K\n0.500000 0.191783 0.000000 K\n0.324236 0.000728 0.324965 Nb\n0.316447 0.316446 0.632893 Nb\n0.000000 0.000000 0.000000 Nb\n0.000728 0.324236 0.324965 Nb\n0.324236 0.324236 0.324965 Nb\n0.683553 0.683553 0.367107 Nb\n0.000728 0.000728 0.324965 Nb\n0.675764 0.675763 0.675035 Nb\n0.999272 0.675763 0.675035 Nb\n0.675764 0.999271 0.675035 Nb\n0.999272 0.999271 0.675035 Nb\n0.250000 0.750000 0.500000 Al\n0.750000 0.250000 0.500000 Al\n0.170332 0.170332 0.000000 O\n0.834239 0.494555 0.668478 O\n0.165761 0.826078 0.331522 O\n0.173922 0.834239 0.668478 O\n0.165761 0.505444 0.331522 O\n0.839061 0.839060 0.347115 O\n0.491945 0.491945 0.652885 O\n0.494556 0.834239 0.668478 O\n0.160940 0.491945 0.652885 O\n0.508055 0.839060 0.347115 O\n0.839061 0.508054 0.347115 O\n0.829668 0.170332 0.000000 O\n0.829668 0.829668 0.000000 O\n0.508055 0.508054 0.347115 O\n0.160940 0.160939 0.652885 O\n0.505445 0.165761 0.331522 O\n0.826078 0.165761 0.331522 O\n0.834239 0.173922 0.668477 O\n0.491945 0.160939 0.652885 O\n0.170332 0.829668 0.000000 O\n0.500000 0.500000 0.000000 F\n",
"nsites": 38,
"nelements": 5,
"elements": [
"K",
"Nb",
"Al",
"O",
"F"
],
"chemical_system": "Al-F-K-Nb-O",
"density": 5.174747721269667,
"density_atomic": 0.07536349245921883,
"volume": 504.2229169589347,
"volume_molar": 7.990793106169727,
"formula_full": "K4 Nb11 Al2 O20 F1",
"formula_reduced": "K4Nb11Al2O20F",
"formula_anonymous": "AB2C4D11E20",
"energy_above_hull": 3.6205245074342094,
"spacegroup": 139
},
{
"id": "jvasp-61527",
"created_at": "2022-09-04T14:36:07.209079Z",
"updated_at": "2022-09-04T14:36:07.209105Z",
"structure_string": "K4 Nb11 Al2 O20 F1\n1.0\n-4.447355 4.447355 6.398458\n4.447355 -4.447355 6.398458\n4.447355 4.447355 -6.398458\nK Nb Al O F\n4 11 2 20 1\ndirect\n0.191918 0.499999 0.691918 K\n0.808081 0.500000 0.308081 K\n0.499999 0.191918 0.691918 K\n0.500000 0.808081 0.308081 K\n0.999341 0.675845 0.000000 Nb\n0.324156 0.324156 0.323497 Nb\n0.000659 0.000659 0.676501 Nb\n0.000000 0.000000 0.000000 Nb\n0.683629 0.683629 0.000000 Nb\n0.316372 0.316372 0.000000 Nb\n0.675844 0.675844 0.676501 Nb\n0.999341 0.999341 0.323497 Nb\n0.000659 0.324156 0.000000 Nb\n0.675845 0.999341 0.000000 Nb\n0.324156 0.000659 0.000000 Nb\n0.250000 0.750000 0.499999 Al\n0.750000 0.250000 0.499999 Al\n0.829784 0.170217 0.000000 O\n0.170217 0.829784 0.000000 O\n0.165798 0.505255 0.339458 O\n0.165798 0.826338 0.660541 O\n0.826338 0.165798 0.660541 O\n0.505255 0.165798 0.339458 O\n0.834202 0.173661 0.339458 O\n0.834202 0.494745 0.660541 O\n0.173661 0.834202 0.339458 O\n0.839312 0.839312 0.331011 O\n0.160688 0.160688 0.668988 O\n0.491700 0.491700 0.331011 O\n0.491700 0.160689 0.000000 O\n0.160689 0.491700 0.000000 O\n0.839312 0.508300 0.000000 O\n0.508300 0.839312 0.000000 O\n0.508300 0.508300 0.668988 O\n0.170216 0.170216 0.340432 O\n0.494745 0.834202 0.660541 O\n0.829784 0.829784 0.659567 O\n0.500000 0.500000 0.000000 F\n",
"nsites": 38,
"nelements": 5,
"elements": [
"K",
"Nb",
"Al",
"O",
"F"
],
"chemical_system": "Al-F-K-Nb-O",
"density": 5.154337506433203,
"density_atomic": 0.07506624413818541,
"volume": 506.2195456328925,
"volume_molar": 8.022435155959268,
"formula_full": "K4 Nb11 Al2 O20 F1",
"formula_reduced": "K4Nb11Al2O20F",
"formula_anonymous": "AB2C4D11E20",
"energy_above_hull": 3.620761086381579,
"spacegroup": 139
},
{
"id": "jvasp-39479",
"created_at": "2022-09-04T14:37:28.491367Z",
"updated_at": "2022-09-04T14:37:28.491393Z",
"structure_string": "K4 Al4 O6 F4\n1.0\n-0.149543 0.000000 -6.107826\n5.661069 4.097346 0.019418\n5.661069 -4.097346 0.019418\nK Al O F\n4 4 6 4\ndirect\n0.668631 0.159648 0.159648 K\n0.256843 0.398793 0.398793 K\n0.743158 0.601208 0.601208 K\n0.331370 0.840351 0.840351 K\n0.852073 0.672156 0.077401 Al\n0.147928 0.922600 0.327843 Al\n0.852073 0.077401 0.672156 Al\n0.147928 0.327843 0.922600 Al\n0.763972 0.878845 0.878845 O\n-0.000000 0.266752 0.733249 O\n-0.000000 -0.000000 0.500000 O\n-0.000000 0.500000 -0.000000 O\n0.236028 0.121156 0.121156 O\n-0.000000 0.733249 0.266752 O\n0.607594 0.184629 0.551063 F\n0.607594 0.551063 0.184629 F\n0.392405 0.815371 0.448938 F\n0.392405 0.448938 0.815371 F\n",
"nsites": 18,
"nelements": 4,
"elements": [
"K",
"Al",
"O",
"F"
],
"chemical_system": "Al-F-K-O",
"density": 2.557186300132983,
"density_atomic": 0.063531811649079,
"volume": 283.32263054961913,
"volume_molar": 9.478937564796013,
"formula_full": "K4 Al4 O6 F4",
"formula_reduced": "K2Al2O3F2",
"formula_anonymous": "A2B2C2D3",
"energy_above_hull": 0.8109414644444446,
"spacegroup": 12
}
]
}