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=-volume&page=176",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=174",
"results": [
{
"id": "jvasp-97784",
"created_at": "2022-09-04T14:35:56.740934Z",
"updated_at": "2022-09-04T14:35:56.740957Z",
"structure_string": "Ba8 Ir6 O20\n1.0\n5.798186 0.007907 0.000000\n-2.823537 6.788276 0.000000\n0.000000 0.000000 13.281229\nBa Ir O\n8 6 20\ndirect\n0.263720 0.518350 0.387259 Ba\n0.965079 0.917038 0.362693 Ba\n0.534923 0.082963 0.862693 Ba\n0.034922 0.082963 0.637307 Ba\n0.465078 0.917038 0.137307 Ba\n0.736280 0.481651 0.612741 Ba\n0.763721 0.518350 0.112741 Ba\n0.236280 0.481651 0.887259 Ba\n0.631646 0.243565 0.349591 Ir\n0.000000 0.000000 0.000000 Ir\n0.500000 0.000000 0.500000 Ir\n0.131645 0.243565 0.150409 Ir\n0.368355 0.756436 0.650409 Ir\n0.868355 0.756436 0.849591 Ir\n0.838930 0.227503 0.475391 O\n0.661071 0.772498 0.975391 O\n0.526472 0.073694 0.651290 O\n0.067551 0.766840 0.725690 O\n0.026471 0.073693 0.848710 O\n0.338930 0.227503 0.024609 O\n0.161071 0.772498 0.524609 O\n0.135347 0.787425 0.959954 O\n0.364653 0.212576 0.459954 O\n0.864653 0.212576 0.040046 O\n0.635348 0.787425 0.540046 O\n0.728107 0.465572 0.846053 O\n0.771894 0.534429 0.346053 O\n0.271893 0.534429 0.153948 O\n0.228107 0.465572 0.653948 O\n0.567551 0.766840 0.774310 O\n0.932450 0.233162 0.274310 O\n0.432449 0.233161 0.225690 O\n0.473529 0.926307 0.348710 O\n0.973529 0.926308 0.151290 O\n",
"nsites": 34,
"nelements": 3,
"elements": [
"Ba",
"Ir",
"O"
],
"chemical_system": "Ba-Ir-O",
"density": 8.165222385281163,
"density_atomic": 0.06500439872091765,
"volume": 523.0415274814195,
"volume_molar": 9.264205005348579,
"formula_full": "Ba8 Ir6 O20",
"formula_reduced": "Ba4Ir3O10",
"formula_anonymous": "A3B4C10",
"energy_above_hull": 2.6108871870588235,
"spacegroup": 14
},
{
"id": "jvasp-98213",
"created_at": "2022-09-04T14:35:53.952787Z",
"updated_at": "2022-09-04T14:35:53.952811Z",
"structure_string": "Si1 Bi12 O20\n1.0\n8.287887 -0.000000 -2.930211\n-4.143944 7.177521 -2.930211\n0.000000 0.000000 8.790632\nSi Bi O\n1 12 20\ndirect\n0.000000 0.000000 0.000000 Si\n0.332028 0.189086 0.493926 Bi\n0.142942 0.304840 0.810914 Bi\n0.161899 0.857058 0.667972 Bi\n0.506074 0.695159 0.838102 Bi\n0.810915 0.142942 0.304841 Bi\n0.857058 0.667972 0.161899 Bi\n0.493926 0.332028 0.189086 Bi\n0.189086 0.493926 0.332028 Bi\n0.695160 0.838102 0.506074 Bi\n0.304841 0.810914 0.142942 Bi\n0.667973 0.161898 0.857058 Bi\n0.838102 0.506074 0.695160 Bi\n0.872818 0.253692 0.643814 O\n0.380874 0.127183 0.770996 O\n0.609878 0.229003 0.356186 O\n0.189413 0.000000 0.000000 O\n0.356186 0.609878 0.229004 O\n0.746309 0.619126 0.390122 O\n0.390123 0.746308 0.619126 O\n0.619126 0.390122 0.746308 O\n0.229004 0.356186 0.609878 O\n0.770997 0.380874 0.127183 O\n0.253692 0.643814 0.872817 O\n0.397079 0.397079 0.397079 O\n0.000000 0.602921 0.000000 O\n-0.000000 -0.000000 0.602921 O\n0.602921 0.000000 0.000000 O\n0.810588 0.810587 0.810587 O\n0.000000 0.189413 0.000000 O\n-0.000000 -0.000000 0.189413 O\n0.127183 0.770996 0.380874 O\n0.643815 0.872817 0.253692 O\n",
"nsites": 33,
"nelements": 3,
"elements": [
"Si",
"Bi",
"O"
],
"chemical_system": "Bi-O-Si",
"density": 9.068685032210963,
"density_atomic": 0.06310671115733114,
"volume": 522.9237809228848,
"volume_molar": 9.5427897438455,
"formula_full": "Si1 Bi12 O20",
"formula_reduced": "Si(Bi3O5)4",
"formula_anonymous": "AB12C20",
"energy_above_hull": 2.3844694000000004,
"spacegroup": 197
},
{
"id": "jvasp-25368",
"created_at": "2022-09-04T14:38:27.589115Z",
"updated_at": "2022-09-04T14:38:27.589134Z",
"structure_string": "Si23\n1.0\n-5.075096 -5.075096 5.075096\n-5.075096 5.075096 -5.075096\n5.075096 -5.075096 -5.075096\nSi\n23\ndirect\n0.830576 0.558793 0.558793 Si\n0.250000 0.500000 0.750001 Si\n0.750001 0.500000 0.250000 Si\n0.750001 0.250000 0.500000 Si\n0.250000 0.750001 0.500000 Si\n0.000000 0.000000 0.271534 Si\n0.000000 0.271534 0.000000 Si\n0.271534 0.000000 0.000000 Si\n0.728467 0.728467 0.728467 Si\n0.000000 0.000000 0.000000 Si\n0.500000 0.250000 0.750001 Si\n0.728218 0.169425 0.728218 Si\n0.271783 0.000000 0.441208 Si\n0.558793 0.830576 0.558793 Si\n0.271783 0.441208 0.000000 Si\n0.441208 0.271783 0.000000 Si\n0.728218 0.728218 0.169425 Si\n0.000000 0.271783 0.441208 Si\n0.558793 0.558793 0.830576 Si\n0.000000 0.441208 0.271783 Si\n0.169425 0.728218 0.728218 Si\n0.441208 0.000000 0.271783 Si\n0.500000 0.750001 0.250000 Si\n",
"nsites": 23,
"nelements": 1,
"elements": [
"Si"
],
"chemical_system": "Si",
"density": 2.0514754157618835,
"density_atomic": 0.043988085395193104,
"volume": 522.868858541258,
"volume_molar": 13.690390718069493,
"formula_full": "Si23",
"formula_reduced": "Si",
"formula_anonymous": "A",
"energy_above_hull": 0.1221899999999998,
"spacegroup": 217
},
{
"id": "jvasp-25616",
"created_at": "2022-09-04T14:37:50.677234Z",
"updated_at": "2022-09-04T14:37:50.677254Z",
"structure_string": "K4 Sc2 Si8 O20 F2\n1.0\n7.297586 0.000000 3.759969\n3.648793 7.980217 1.879985\n-0.006265 -0.000000 8.973954\nK Sc Si O F\n4 2 8 20 2\ndirect\n0.681768 0.633978 0.002487 K\n0.684254 -0.002487 0.633978 K\n0.318232 0.366022 -0.002487 K\n0.315746 0.002487 0.366022 K\n0.754553 -0.000000 -0.000000 Sc\n0.245448 -0.000000 -0.000000 Sc\n0.878232 0.302639 0.324090 Si\n0.819128 0.675910 0.302639 Si\n0.504962 0.697361 0.675909 Si\n0.797676 0.324090 0.697360 Si\n0.202323 0.675910 0.302639 Si\n0.495037 0.302639 0.324090 Si\n0.121767 0.697361 0.675909 Si\n0.180871 0.324090 0.697360 Si\n0.588768 0.497245 0.728300 O\n0.682932 0.728300 0.502755 O\n0.086011 0.728300 0.502755 O\n0.683425 0.260699 0.372450 O\n0.730023 0.820363 0.187953 O\n0.550386 0.187954 0.179637 O\n0.261661 0.820363 0.187953 O\n0.082024 0.187954 0.179637 O\n0.316574 0.739301 0.627549 O\n0.317067 0.271700 0.497245 O\n0.738338 0.179637 0.812046 O\n0.055875 0.627550 0.260699 O\n0.269976 0.179637 0.812046 O\n0.411231 0.502755 0.271700 O\n0.185687 0.497245 0.728300 O\n0.917975 0.812047 0.820362 O\n0.913988 0.271700 0.497244 O\n0.449613 0.812047 0.820362 O\n0.944124 0.372450 0.739300 O\n0.814312 0.502755 0.271700 O\n0.000000 0.000000 0.000000 F\n0.500000 -0.000000 -0.000000 F\n",
"nsites": 36,
"nelements": 5,
"elements": [
"K",
"Sc",
"Si",
"O",
"F"
],
"chemical_system": "F-K-O-Sc-Si",
"density": 2.633030974638205,
"density_atomic": 0.0688602429694834,
"volume": 522.7980391523454,
"volume_molar": 8.745453835631707,
"formula_full": "K4 Sc2 Si8 O20 F2",
"formula_reduced": "K2ScSi4O10F",
"formula_anonymous": "ABC2D4E10",
"energy_above_hull": 2.4319250518055555,
"spacegroup": 87
},
{
"id": "jvasp-115942",
"created_at": "2022-09-04T14:38:40.169094Z",
"updated_at": "2022-09-04T14:38:40.169120Z",
"structure_string": "Cr2\n1.0\n7.408481 0.000000 0.000000\n0.000000 7.408481 0.000000\n0.000000 0.000000 9.525190\nCr\n2\ndirect\n0.000000 0.000000 0.792373 Cr\n0.000000 0.000000 0.207627 Cr\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Cr"
],
"chemical_system": "Cr",
"density": 0.3303070728154883,
"density_atomic": 0.003825586317446597,
"volume": 522.7956799403518,
"volume_molar": 157.41745866603534,
"formula_full": "Cr2",
"formula_reduced": "Cr",
"formula_anonymous": "A",
"energy_above_hull": 4.40577,
"spacegroup": 123
},
{
"id": "jvasp-113470",
"created_at": "2022-09-04T14:38:45.019427Z",
"updated_at": "2022-09-04T14:38:45.019457Z",
"structure_string": "S2\n1.0\n7.408481 0.000000 0.000000\n0.000000 7.408481 0.000000\n0.000000 0.000000 9.525190\nS\n2\ndirect\n0.000000 0.000000 0.865214 S\n0.000000 0.000000 0.134786 S\n",
"nsites": 2,
"nelements": 1,
"elements": [
"S"
],
"chemical_system": "S",
"density": 0.20369405185828615,
"density_atomic": 0.003825586317446597,
"volume": 522.7956799403518,
"volume_molar": 157.41745866603534,
"formula_full": "S2",
"formula_reduced": "S",
"formula_anonymous": "A",
"energy_above_hull": 1.9087,
"spacegroup": 123
},
{
"id": "jvasp-50956",
"created_at": "2022-09-04T14:36:47.138392Z",
"updated_at": "2022-09-04T14:36:47.138416Z",
"structure_string": "Ba2 Sr2 I8\n1.0\n-1.812590 0.000000 8.475581\n3.242012 -7.427318 4.254470\n3.242012 7.427318 4.254470\nBa Sr I\n2 2 8\ndirect\n0.750000 0.233183 0.266817 Ba\n0.250000 0.766817 0.733182 Ba\n0.250000 0.381739 0.118261 Sr\n0.750000 0.618260 0.881739 Sr\n0.257212 0.997563 0.119907 I\n0.930508 0.763364 0.126797 I\n0.430508 0.626797 0.263364 I\n0.242789 0.380092 0.502437 I\n0.757212 0.619907 0.497563 I\n0.569492 0.373202 0.736635 I\n0.069493 0.236635 0.873202 I\n0.742789 0.002437 0.880093 I\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ba",
"Sr",
"I"
],
"chemical_system": "Ba-I-Sr",
"density": 4.654247997897843,
"density_atomic": 0.02295649492640848,
"volume": 522.7278832621591,
"volume_molar": 26.232840768179752,
"formula_full": "Ba2 Sr2 I8",
"formula_reduced": "BaSrI4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0012783333333333,
"spacegroup": 15
},
{
"id": "jvasp-116947",
"created_at": "2022-09-04T14:38:48.220266Z",
"updated_at": "2022-09-04T14:38:48.220291Z",
"structure_string": "Li8 Lu8 Sn8\n1.0\n9.235095 0.000000 0.000000\n-4.617548 7.997826 0.000000\n-0.000000 0.000000 7.075681\nLi Lu Sn\n8 8 8\ndirect\n0.166810 0.333621 0.287909 Li\n0.166810 0.833190 0.287909 Li\n0.666378 0.833190 0.287909 Li\n0.833189 0.666379 0.787909 Li\n0.833189 0.166810 0.787909 Li\n0.333621 0.166810 0.787909 Li\n0.333333 0.666667 0.678001 Li\n0.666666 0.333333 0.178001 Li\n0.000000 0.000000 -0.000611 Lu\n0.000000 0.000000 0.499389 Lu\n0.022282 0.511141 0.993376 Lu\n0.488859 0.511141 0.993376 Lu\n0.488859 0.977718 0.993376 Lu\n0.977717 0.488859 0.493376 Lu\n0.511141 0.488859 0.493376 Lu\n0.511141 0.022282 0.493376 Lu\n0.166684 0.333369 0.730933 Sn\n0.166684 0.833316 0.730933 Sn\n0.666631 0.833316 0.730933 Sn\n0.833315 0.666631 0.230933 Sn\n0.833315 0.166684 0.230933 Sn\n0.333369 0.166684 0.230933 Sn\n0.333333 0.666667 0.256954 Sn\n0.666666 0.333333 0.756954 Sn\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Li",
"Lu",
"Sn"
],
"chemical_system": "Li-Lu-Sn",
"density": 7.641392396320096,
"density_atomic": 0.04592293937382592,
"volume": 522.6146306671075,
"volume_molar": 13.113578621303061,
"formula_full": "Li8 Lu8 Sn8",
"formula_reduced": "LiLuSn",
"formula_anonymous": "ABC",
"energy_above_hull": 0.5065458166666666,
"spacegroup": 186
},
{
"id": "jvasp-95239",
"created_at": "2022-09-04T14:36:19.769643Z",
"updated_at": "2022-09-04T14:36:19.769671Z",
"structure_string": "Zr4 H24 N4 O4 F20\n1.0\n10.051389 0.000000 2.288374\n0.000000 7.641161 0.000000\n0.053005 0.000000 6.816414\nZr H N O F\n4 24 4 4 20\ndirect\n0.542438 0.553624 0.734373 Zr\n0.042438 0.946376 0.234374 Zr\n0.457562 0.446376 0.265626 Zr\n0.957563 0.053624 0.765625 Zr\n0.712673 0.879313 0.304032 H\n0.787327 0.379313 0.195967 H\n0.287327 0.120687 0.695966 H\n0.053995 0.650285 0.776787 H\n0.553995 0.849715 0.276787 H\n0.946006 0.349715 0.223212 H\n0.446006 0.150285 0.723212 H\n0.109020 0.444735 0.812470 H\n0.609020 0.055265 0.312470 H\n0.890981 0.555265 0.187528 H\n0.390981 0.944735 0.687528 H\n0.212674 0.620687 0.804032 H\n0.668670 0.957254 0.095529 H\n0.168670 0.542746 0.595529 H\n0.809954 0.444206 0.738125 H\n0.309954 0.055794 0.238126 H\n0.690046 0.944206 0.761872 H\n0.814701 0.650864 0.700154 H\n0.190046 0.555794 0.261873 H\n0.185300 0.349136 0.299845 H\n0.685300 0.150864 0.799844 H\n0.331331 0.042746 0.904470 H\n0.831330 0.457254 0.404470 H\n0.314701 0.849136 0.200155 H\n0.135092 0.566268 0.749617 N\n0.364908 0.066268 0.750382 N\n0.864908 0.433732 0.250382 N\n0.635092 0.933732 0.249617 N\n0.228507 0.459094 0.331644 O\n0.728507 0.040905 0.831644 O\n0.771493 0.540905 0.668354 O\n0.271493 0.959094 0.168355 O\n0.088169 0.899119 0.516176 F\n0.588169 0.600881 0.016176 F\n0.125352 0.201369 0.680849 F\n0.625351 0.298631 0.180849 F\n0.874649 0.798631 0.319150 F\n0.374649 0.701368 0.819150 F\n0.890063 0.307688 0.827315 F\n0.390063 0.192311 0.327315 F\n0.109937 0.692311 0.172684 F\n0.609938 0.807688 0.672683 F\n0.397825 0.707172 0.307023 F\n0.102176 0.207172 0.192976 F\n0.602176 0.292828 0.692975 F\n0.897937 0.067616 0.088351 F\n0.397937 0.432384 0.588350 F\n0.102064 0.932384 0.911648 F\n0.602064 0.567616 0.411648 F\n0.411831 0.399119 0.983822 F\n0.897825 0.792827 0.807023 F\n0.911831 0.100881 0.483822 F\n",
"nsites": 56,
"nelements": 5,
"elements": [
"Zr",
"H",
"N",
"O",
"F"
],
"chemical_system": "F-H-N-O-Zr",
"density": 2.8249945201348217,
"density_atomic": 0.10715592144395748,
"volume": 522.602943872663,
"volume_molar": 5.619979445699208,
"formula_full": "Zr4 H24 N4 O4 F20",
"formula_reduced": "ZrH6NOF5",
"formula_anonymous": "ABCD5E6",
"energy_above_hull": 2.201429475892857,
"spacegroup": 14
},
{
"id": "jvasp-114445",
"created_at": "2022-09-04T14:38:40.982868Z",
"updated_at": "2022-09-04T14:38:40.982894Z",
"structure_string": "Ba1 Au1 Cl1\n1.0\n7.572333 0.000000 0.000000\n0.000000 7.572333 -0.000000\n0.000000 -0.000000 9.112906\nBa Au Cl\n1 1 1\ndirect\n0.000000 0.000000 -0.000722 Ba\n0.000000 0.000000 0.321326 Au\n0.000000 0.000000 0.691429 Cl\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Au",
"Cl"
],
"chemical_system": "Au-Ba-Cl",
"density": 1.1749975235310315,
"density_atomic": 0.005741230135769507,
"volume": 522.5360992427636,
"volume_molar": 104.89286472737506,
"formula_full": "Ba1 Au1 Cl1",
"formula_reduced": "BaAuCl",
"formula_anonymous": "ABC",
"energy_above_hull": 0.3554499999999999,
"spacegroup": 99
},
{
"id": "jvasp-29572",
"created_at": "2022-09-04T14:37:31.935975Z",
"updated_at": "2022-09-04T14:37:31.935999Z",
"structure_string": "Ag2 Bi2 P4 Se12\n1.0\n6.522120 -0.002664 12.260264\n3.056082 5.761807 12.260264\n-0.004433 -0.002665 13.887120\nAg Bi P Se\n2 2 4 12\ndirect\n0.595742 0.595743 0.595742 Ag\n0.404258 0.404258 0.404257 Ag\n0.088154 0.088154 0.088154 Bi\n0.911846 0.911847 0.911846 Bi\n0.722044 0.722045 0.722044 P\n0.779575 0.779575 0.779575 P\n0.220425 0.220425 0.220425 P\n0.277956 0.277956 0.277955 P\n0.497826 0.867651 0.250984 Se\n0.272885 0.993769 0.620576 Se\n0.502174 0.132349 0.749015 Se\n0.620576 0.272885 0.993769 Se\n0.006231 0.379424 0.727115 Se\n0.727115 0.006231 0.379424 Se\n0.379424 0.727116 0.006231 Se\n0.993769 0.620577 0.272884 Se\n0.867651 0.250985 0.497826 Se\n0.749015 0.502174 0.132349 Se\n0.132349 0.749016 0.502173 Se\n0.250985 0.497826 0.867651 Se\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ag",
"Bi",
"P",
"Se"
],
"chemical_system": "Ag-Bi-P-Se",
"density": 5.4199286098795305,
"density_atomic": 0.03828436872400579,
"volume": 522.4064198153859,
"volume_molar": 15.730024970279535,
"formula_full": "Ag2 Bi2 P4 Se12",
"formula_reduced": "AgBi(PSe3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.7718192760000002,
"spacegroup": 148
},
{
"id": "jvasp-101369",
"created_at": "2022-09-04T14:36:22.359018Z",
"updated_at": "2022-09-04T14:36:22.359042Z",
"structure_string": "Mn4 Si2 P8 O28\n1.0\n5.037461 0.000043 -0.000015\n-2.518946 8.331063 -2.016575\n0.000028 -0.010024 12.447651\nMn Si P O\n4 2 8 28\ndirect\n0.092221 0.491566 0.631280 Mn\n0.400814 0.491573 0.131276 Mn\n0.599930 0.507091 0.867870 Mn\n0.908537 0.507083 0.367883 Mn\n0.157813 0.999337 0.749589 Si\n0.842928 0.999323 0.249577 Si\n0.692828 0.730205 0.586639 P\n0.038825 0.730210 0.086634 P\n0.488337 0.240795 0.629541 P\n0.753859 0.240796 0.129550 P\n0.512437 0.757851 0.369617 P\n0.246866 0.757869 0.869615 P\n0.307941 0.268437 0.412523 P\n0.961894 0.268446 0.912526 P\n0.484039 0.275101 0.114310 O\n0.130788 0.818124 0.987241 O\n0.312001 0.180522 0.511915 O\n0.609420 0.621618 0.299641 O\n-0.012916 0.377039 0.199516 O\n0.391361 0.377039 0.699506 O\n0.013643 0.621635 0.799641 O\n0.033307 0.130816 0.826702 O\n0.792462 0.275102 0.614301 O\n0.901888 0.867822 0.672463 O\n0.967394 0.867831 0.172458 O\n0.098885 0.130817 0.326698 O\n0.779578 0.591204 0.046544 O\n0.187712 0.407443 0.452615 O\n0.221151 0.407446 0.952610 O\n0.813057 0.591197 0.546551 O\n0.282828 0.695168 0.132949 O\n0.586983 0.303477 0.366204 O\n0.717899 0.303492 0.866206 O\n0.413783 0.695168 0.632955 O\n0.869919 0.180538 0.011921 O\n0.688789 0.818112 0.487241 O\n0.387292 0.081697 0.672158 O\n0.304957 0.916985 0.827017 O\n0.613464 0.916959 0.327010 O\n0.695793 0.081684 0.172154 O\n0.516676 0.723555 0.884861 O\n0.208316 0.723535 0.384867 O\n",
"nsites": 42,
"nelements": 4,
"elements": [
"Mn",
"Si",
"P",
"O"
],
"chemical_system": "Mn-O-P-Si",
"density": 3.0893260653867665,
"density_atomic": 0.08041430520536995,
"volume": 522.2951301106971,
"volume_molar": 7.488892361402695,
"formula_full": "Mn4 Si2 P8 O28",
"formula_reduced": "Mn2Si(P2O7)2",
"formula_anonymous": "AB2C4D14",
"energy_above_hull": 3.350836861083744,
"spacegroup": 15
}
]
}