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=nsites&page=3667",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nsites&page=3665",
"results": [
{
"id": "jvasp-47617",
"created_at": "2022-09-04T14:38:06.044667Z",
"updated_at": "2022-09-04T14:38:06.044678Z",
"structure_string": "Li3 Mn3 Si1 O8\n1.0\n0.000000 5.215427 0.055437\n5.592011 0.000000 0.000000\n0.000000 -2.029956 -4.913195\nLi Mn Si O\n3 3 1 8\ndirect\n0.000000 0.500000 0.000000 Li\n-0.000001 0.244075 0.499999 Li\n-0.000001 0.755925 0.499999 Li\n0.500000 0.249548 -0.000000 Mn\n0.500000 0.750452 -0.000000 Mn\n0.500000 0.500000 0.499999 Mn\n0.500000 0.000000 0.499999 Si\n0.311199 0.000000 0.733413 O\n0.721934 0.236945 0.702104 O\n0.261427 0.500000 0.786719 O\n0.278065 0.236945 0.297894 O\n0.721934 0.763055 0.702104 O\n0.688801 0.000000 0.266586 O\n0.738572 0.500000 0.213279 O\n0.278065 0.763055 0.297894 O\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Si",
"O"
],
"chemical_system": "Li-Mn-O-Si",
"density": 3.977464801470108,
"density_atomic": 0.10514312010086936,
"volume": 142.66268668467995,
"volume_molar": 5.7275652027661375,
"formula_full": "Li3 Mn3 Si1 O8",
"formula_reduced": "Li3Mn3SiO8",
"formula_anonymous": "AB3C3D8",
"energy_above_hull": 2.9404312216091952,
"spacegroup": 10
},
{
"id": "jvasp-88949",
"created_at": "2022-09-04T14:35:51.269299Z",
"updated_at": "2022-09-04T14:35:51.269313Z",
"structure_string": "Ba3 Ca1 Ir2 O9\n1.0\n5.874755 0.000000 -0.000000\n-2.937377 5.087686 0.000000\n0.000000 0.000000 7.211911\nBa Ca Ir O\n3 1 2 9\ndirect\n0.333333 0.666667 0.664016 Ba\n0.000000 0.000000 0.000000 Ba\n0.666666 0.333333 0.335984 Ba\n0.000000 0.000000 0.500000 Ca\n0.333333 0.666667 0.157781 Ir\n0.666666 0.333333 0.842219 Ir\n0.821722 0.178277 0.684878 O\n0.821722 0.643446 0.684878 O\n0.356554 0.178277 0.684878 O\n0.643445 0.821724 0.315122 O\n0.178277 0.356554 0.315122 O\n0.178277 0.821724 0.315122 O\n0.500000 0.000000 0.000000 O\n-0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Ba",
"Ca",
"Ir",
"O"
],
"chemical_system": "Ba-Ca-Ir-O",
"density": 7.553196532619438,
"density_atomic": 0.06958743699017303,
"volume": 215.5561499142189,
"volume_molar": 8.654063176447254,
"formula_full": "Ba3 Ca1 Ir2 O9",
"formula_reduced": "Ba3CaIr2O9",
"formula_anonymous": "AB2C3D9",
"energy_above_hull": 2.320406135333333,
"spacegroup": 164
},
{
"id": "jvasp-48896",
"created_at": "2022-09-04T14:36:00.530824Z",
"updated_at": "2022-09-04T14:36:00.530842Z",
"structure_string": "Li3 V1 Cr3 O8\n1.0\n5.788367 0.006114 0.004364\n-2.793691 -5.069569 -0.004364\n-2.793691 -1.652272 -4.792760\nLi V Cr O\n3 1 3 8\ndirect\n0.000000 1.000000 0.499999 Li\n0.000000 0.500000 0.999999 Li\n0.500000 1.000000 0.999999 Li\n0.500000 0.500001 0.500001 V\n-0.000002 0.500000 0.499999 Cr\n0.500001 0.000002 0.500000 Cr\n0.500001 0.500000 0.000002 Cr\n0.258036 0.741964 0.741964 O\n0.264153 0.279326 0.735848 O\n0.264153 0.735848 0.279326 O\n0.720675 0.735848 0.735848 O\n0.279328 0.264155 0.264155 O\n0.735846 0.264156 0.720672 O\n0.735846 0.720673 0.264155 O\n0.741964 0.258037 0.258037 O\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Li",
"V",
"Cr",
"O"
],
"chemical_system": "Cr-Li-O-V",
"density": 4.205224444726313,
"density_atomic": 0.10677974384516409,
"volume": 140.47608150990456,
"volume_molar": 5.639778241772524,
"formula_full": "Li3 V1 Cr3 O8",
"formula_reduced": "Li3VCr3O8",
"formula_anonymous": "AB3C3D8",
"energy_above_hull": 3.169674293333334,
"spacegroup": 166
},
{
"id": "jvasp-97708",
"created_at": "2022-09-04T14:35:52.790493Z",
"updated_at": "2022-09-04T14:35:52.790517Z",
"structure_string": "Pb5 I2 F8\n1.0\n4.252751 -0.018546 18.741044\n2.083956 3.707203 18.741044\n-0.031859 -0.018546 19.217482\nPb I F\n5 2 8\ndirect\n0.005651 0.005650 0.005650 Pb\n0.388516 0.388514 0.388515 Pb\n0.475067 0.475064 0.475066 Pb\n0.191250 0.191249 0.191250 Pb\n0.919262 0.919257 0.919261 Pb\n0.761858 0.761854 0.761857 I\n0.626046 0.626043 0.626045 I\n0.146708 0.146707 0.146708 F\n0.242442 0.242441 0.242442 F\n0.342340 0.342338 0.342340 F\n0.517729 0.517726 0.517728 F\n0.879075 0.879070 0.879074 F\n0.047989 0.047989 0.047989 F\n0.694067 0.694063 0.694066 F\n0.828215 0.828211 0.828214 F\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Pb",
"I",
"F"
],
"chemical_system": "F-I-Pb",
"density": 7.806184155078915,
"density_atomic": 0.048907682914785804,
"volume": 306.7002790979736,
"volume_molar": 12.313281679061884,
"formula_full": "Pb5 I2 F8",
"formula_reduced": "Pb5(IF4)2",
"formula_anonymous": "A2B5C8",
"energy_above_hull": 0.1125806666666666,
"spacegroup": 160
},
{
"id": "jvasp-85691",
"created_at": "2022-09-04T14:35:54.802438Z",
"updated_at": "2022-09-04T14:35:54.802453Z",
"structure_string": "Na2 Hf1 H6 O6\n1.0\n2.986175 1.723998 4.719139\n-2.986171 1.724068 4.719118\n0.000062 -3.447979 4.719106\nNa Hf H O\n2 1 6 6\ndirect\n0.168028 0.168018 0.168030 Na\n0.831972 0.831984 0.831970 Na\n0.500000 0.500001 0.500000 Hf\n0.077485 0.646998 0.325024 H\n0.646979 0.325041 0.077483 H\n0.325032 0.077490 0.646967 H\n0.922515 0.353004 0.674976 H\n0.353020 0.674961 0.922517 H\n0.674968 0.922511 0.353033 H\n0.128188 0.712646 0.414211 O\n0.712651 0.414225 0.128164 O\n0.414206 0.128190 0.712633 O\n0.871812 0.287355 0.585789 O\n0.287349 0.585777 0.871836 O\n0.585794 0.871811 0.287367 O\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Na",
"Hf",
"H",
"O"
],
"chemical_system": "H-Hf-Na-O",
"density": 3.71950157936112,
"density_atomic": 0.10290243750879545,
"volume": 145.76914175349728,
"volume_molar": 5.852281934026359,
"formula_full": "Na2 Hf1 H6 O6",
"formula_reduced": "Na2Hf(HO)6",
"formula_anonymous": "AB2C6D6",
"energy_above_hull": 2.6965528,
"spacegroup": 148
},
{
"id": "jvasp-87101",
"created_at": "2022-09-04T14:36:01.217692Z",
"updated_at": "2022-09-04T14:36:01.217722Z",
"structure_string": "Sr1 Mo6 S8\n1.0\n6.604880 -0.042952 0.101854\n0.166315 6.603058 0.105754\n0.024172 0.018570 6.605994\nSr Mo S\n1 6 8\ndirect\n0.000000 0.000000 0.000000 Sr\n0.562898 0.417871 0.230213 Mo\n0.582125 0.769813 0.437082 Mo\n0.417875 0.230187 0.562916 Mo\n0.769794 0.437117 0.582100 Mo\n0.230207 0.562884 0.417898 Mo\n0.437103 0.582129 0.769785 Mo\n0.257345 0.875429 0.616708 S\n0.742656 0.124572 0.383291 S\n0.616671 0.257356 0.875423 S\n0.383330 0.742644 0.124575 S\n0.754655 0.754700 0.754583 S\n0.245346 0.245301 0.245415 S\n0.875452 0.616680 0.257323 S\n0.124548 0.383320 0.742675 S\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Sr",
"Mo",
"S"
],
"chemical_system": "Mo-S-Sr",
"density": 5.300995747869039,
"density_atomic": 0.052061377567778455,
"volume": 288.12145780183346,
"volume_molar": 11.567386499060277,
"formula_full": "Sr1 Mo6 S8",
"formula_reduced": "Sr(Mo3S4)2",
"formula_anonymous": "AB6C8",
"energy_above_hull": 4.117513447333334,
"spacegroup": 148
},
{
"id": "jvasp-86087",
"created_at": "2022-09-04T14:35:54.164338Z",
"updated_at": "2022-09-04T14:35:54.164359Z",
"structure_string": "Ca9 N6\n1.0\n3.776797 0.000000 -0.000000\n-1.888399 7.324701 -1.359168\n-0.000000 0.013990 9.306880\nCa N\n9 6\ndirect\n0.126873 0.253745 0.278625 Ca\n0.790467 0.580933 0.378616 Ca\n0.827811 0.655622 0.034966 Ca\n0.209533 0.419067 0.621383 Ca\n0.172189 0.344378 0.965033 Ca\n0.873128 0.746255 0.721375 Ca\n0.469622 0.939243 0.340449 Ca\n0.500000 -0.000000 -0.000000 Ca\n0.530379 0.060757 0.659551 Ca\n0.359073 0.718145 0.512241 N\n0.030691 0.061382 0.811902 N\n0.969310 0.938617 0.188097 N\n0.317708 0.635415 0.869376 N\n0.640927 0.281855 0.487759 N\n0.682293 0.364585 0.130624 N\n",
"nsites": 15,
"nelements": 2,
"elements": [
"Ca",
"N"
],
"chemical_system": "Ca-N",
"density": 2.8676005717864146,
"density_atomic": 0.05824417255453419,
"volume": 257.53649407510176,
"volume_molar": 10.339473454381126,
"formula_full": "Ca9 N6",
"formula_reduced": "Ca3N2",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.718789552,
"spacegroup": 12
},
{
"id": "jvasp-86017",
"created_at": "2022-09-04T14:35:50.952319Z",
"updated_at": "2022-09-04T14:35:50.952354Z",
"structure_string": "Li2 U1 Mo2 O10\n1.0\n5.244928 0.015195 -1.003132\n-1.761253 5.227936 -1.829808\n-0.033263 -0.011169 8.278357\nLi U Mo O\n2 1 2 10\ndirect\n0.480377 0.215807 0.423927 Li\n0.519625 0.784195 0.576074 Li\n0.000000 0.000000 0.000000 U\n0.913707 0.656268 0.303489 Mo\n0.086295 0.343733 0.696512 Mo\n0.783310 0.126183 0.540482 O\n0.784690 0.793901 0.150625 O\n0.683106 0.947846 0.836736 O\n0.980963 0.375823 0.177479 O\n0.314683 0.431824 0.583398 O\n0.019039 0.624179 0.822522 O\n0.215312 0.206100 0.849376 O\n0.685319 0.568177 0.416603 O\n0.216692 0.873818 0.459519 O\n0.316896 0.052155 0.163265 O\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Li",
"U",
"Mo",
"O"
],
"chemical_system": "Li-Mo-O-U",
"density": 4.418434047566701,
"density_atomic": 0.06610408278277073,
"volume": 226.91487981601006,
"volume_molar": 9.110088978603303,
"formula_full": "Li2 U1 Mo2 O10",
"formula_reduced": "Li2U(MoO5)2",
"formula_anonymous": "AB2C2D10",
"energy_above_hull": 3.429262853333334,
"spacegroup": 2
},
{
"id": "jvasp-48671",
"created_at": "2022-09-04T14:35:57.225240Z",
"updated_at": "2022-09-04T14:35:57.225253Z",
"structure_string": "Li3 Co2 Si2 O8\n1.0\n5.198678 0.017671 -0.002931\n0.149140 5.197417 0.012974\n0.052951 0.032016 6.316043\nLi Co Si O\n3 2 2 8\ndirect\n0.187530 0.187189 0.248861 Li\n0.685535 0.314402 0.499981 Li\n0.812912 0.812352 0.751164 Li\n0.182351 0.174237 0.758231 Co\n0.825869 0.817548 0.241722 Co\n0.673335 0.326572 0.999995 Si\n0.318946 0.681156 0.500012 Si\n0.799193 0.194407 0.218393 O\n0.805409 0.200651 0.781582 O\n0.364758 0.271022 0.997369 O\n0.287759 0.363172 0.507945 O\n0.729210 0.635032 0.002629 O\n0.637017 0.712082 0.492053 O\n0.186496 0.812044 0.289474 O\n0.188169 0.813657 0.710574 O\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Li",
"Co",
"Si",
"O"
],
"chemical_system": "Co-Li-O-Si",
"density": 3.141793656753522,
"density_atomic": 0.08790458133178038,
"volume": 170.63957046089712,
"volume_molar": 6.850770083609737,
"formula_full": "Li3 Co2 Si2 O8",
"formula_reduced": "Li3Co2(SiO4)2",
"formula_anonymous": "A2B2C3D8",
"energy_above_hull": 2.6905998,
"spacegroup": 5
},
{
"id": "jvasp-47538",
"created_at": "2022-09-04T14:35:57.472538Z",
"updated_at": "2022-09-04T14:35:57.472566Z",
"structure_string": "Li4 Mn1 P2 O8\n1.0\n4.990907 0.046093 0.000687\n-0.780532 5.089123 0.089488\n-0.472759 -0.544343 6.114007\nLi Mn P O\n4 1 2 8\ndirect\n0.152854 0.295475 0.513356 Li\n0.354398 0.617664 0.208847 Li\n0.645603 0.382335 0.791154 Li\n0.847147 0.704524 0.486645 Li\n0.000000 0.000000 0.000000 Mn\n0.367598 0.820720 0.728708 P\n0.632403 0.179280 0.271294 P\n0.226784 0.690954 0.921398 O\n0.238869 0.677271 0.509694 O\n0.323823 0.201236 0.246278 O\n0.306064 0.110018 0.742102 O\n0.693937 0.889982 0.257899 O\n0.676178 0.798763 0.753723 O\n0.761132 0.322728 0.490308 O\n0.773217 0.309046 0.078604 O\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Li",
"Mn",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P",
"density": 2.906730588481854,
"density_atomic": 0.09630520782860476,
"volume": 155.75481677684175,
"volume_molar": 6.25318287118767,
"formula_full": "Li4 Mn1 P2 O8",
"formula_reduced": "Li4Mn(PO4)2",
"formula_anonymous": "AB2C4D8",
"energy_above_hull": 2.514511082758621,
"spacegroup": 2
},
{
"id": "jvasp-42241",
"created_at": "2022-09-04T14:35:51.209902Z",
"updated_at": "2022-09-04T14:35:51.209928Z",
"structure_string": "Li3 Mn2 Cr2 O8\n1.0\n5.737443 0.028040 -0.021579\n-0.013921 5.797703 -0.087115\n-2.844653 -2.913687 4.128112\nLi Mn Cr O\n3 2 2 8\ndirect\n0.500000 -0.000000 0.500000 Li\n0.499999 0.499999 -0.000001 Li\n0.000000 -0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Mn\n-0.000000 0.499999 0.499999 Mn\n-0.000000 0.499999 -0.000001 Cr\n0.500000 0.499999 0.499999 Cr\n0.780081 0.260761 0.019326 O\n0.765664 0.277959 0.518465 O\n0.234352 0.252802 0.012313 O\n0.758082 0.744343 0.513741 O\n0.241917 0.255655 0.486257 O\n0.765647 0.747196 0.987685 O\n0.234335 0.722039 0.481533 O\n0.219918 0.739237 0.980672 O\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Cr",
"O"
],
"chemical_system": "Cr-Li-Mn-O",
"density": 4.444261866603827,
"density_atomic": 0.11069051901094101,
"volume": 135.51296112829095,
"volume_molar": 5.440520844793177,
"formula_full": "Li3 Mn2 Cr2 O8",
"formula_reduced": "Li3Mn2Cr2O8",
"formula_anonymous": "A2B2C3D8",
"energy_above_hull": 3.125243818850575,
"spacegroup": 12
},
{
"id": "jvasp-86104",
"created_at": "2022-09-04T14:35:53.060344Z",
"updated_at": "2022-09-04T14:35:53.060356Z",
"structure_string": "Cd2 Ru1 C6 N6\n1.0\n6.369767 0.000000 0.000000\n-3.184884 5.516381 -0.000000\n-0.000000 -0.000000 6.674365\nCd Ru C N\n2 1 6 6\ndirect\n0.666667 0.333333 0.500121 Cd\n0.333333 0.666667 0.499880 Cd\n0.000000 0.000000 0.000000 Ru\n0.250127 0.000066 0.183222 C\n0.000066 0.749939 0.816778 C\n0.749940 0.749873 0.183222 C\n0.749874 0.999934 0.816778 C\n0.999935 0.250061 0.183222 C\n0.250061 0.250127 0.816778 C\n0.385715 0.385789 0.696121 N\n0.999927 0.385714 0.303880 N\n0.614286 0.614211 0.303880 N\n0.385789 0.000073 0.303880 N\n0.000073 0.614285 0.696121 N\n0.614212 0.999927 0.696121 N\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Cd",
"Ru",
"C",
"N"
],
"chemical_system": "C-Cd-N-Ru",
"density": 3.412755209877636,
"density_atomic": 0.06395927104562035,
"volume": 234.52424886614045,
"volume_molar": 9.415586922034453,
"formula_full": "Cd2 Ru1 C6 N6",
"formula_reduced": "Cd2Ru(CN)6",
"formula_anonymous": "AB2C6D6",
"energy_above_hull": 5.627499299999999,
"spacegroup": 162
}
]
}