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=density&page=1124",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density&page=1122",
"results": [
{
"id": "jvasp-116744",
"created_at": "2022-09-04T14:38:51.257608Z",
"updated_at": "2022-09-04T14:38:51.257627Z",
"structure_string": "Ca8 Rh2 N8\n1.0\n5.964988 -0.014192 1.293118\n1.577244 5.258071 2.302250\n0.024226 0.032707 8.665377\nCa Rh N\n8 2 8\ndirect\n0.787321 0.586725 0.153525 Ca\n0.212679 0.413275 0.846475 Ca\n0.720500 0.213324 0.986803 Ca\n0.279500 0.786677 0.013198 Ca\n0.731567 0.476729 0.573102 Ca\n0.268434 0.523272 0.426899 Ca\n0.215225 0.956459 0.619512 Ca\n0.784775 0.043542 0.380489 Ca\n0.289630 0.145877 0.240781 Rh\n0.710370 0.854124 0.759220 Rh\n0.982999 0.676525 0.619231 N\n0.017001 0.323475 0.380769 N\n0.947073 0.857617 0.884443 N\n0.052928 0.142384 0.115557 N\n0.509357 0.618833 0.793722 N\n0.490643 0.381167 0.206279 N\n0.531400 0.833069 0.326198 N\n0.468600 0.166932 0.673803 N\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ca",
"Rh",
"N"
],
"chemical_system": "Ca-N-Rh",
"density": 3.906112958170119,
"density_atomic": 0.06631550151410878,
"volume": 271.4297500437429,
"volume_molar": 9.081045340083532,
"formula_full": "Ca8 Rh2 N8",
"formula_reduced": "Ca4RhN4",
"formula_anonymous": "AB4C4",
"energy_above_hull": 2.777519742222222,
"spacegroup": 2
},
{
"id": "jvasp-29651",
"created_at": "2022-09-04T14:37:26.721310Z",
"updated_at": "2022-09-04T14:37:26.721481Z",
"structure_string": "Ru6 Cl18\n1.0\n5.966511 -0.000000 0.000000\n-2.983255 5.167149 0.000000\n0.000000 -0.000000 17.160256\nRu Cl\n6 18\ndirect\n0.558422 0.116844 0.166667 Ru\n0.883155 0.441578 0.500000 Ru\n0.558422 0.441578 0.833333 Ru\n0.224771 0.449542 0.166667 Ru\n0.550457 0.775229 0.500000 Ru\n0.224771 0.775229 0.833333 Ru\n0.545568 0.437344 0.088116 Cl\n0.891776 0.437344 0.245218 Cl\n0.562656 0.108224 0.421449 Cl\n0.237937 0.129319 0.245573 Cl\n0.216855 0.762700 0.578370 Cl\n0.870681 0.108617 0.578906 Cl\n0.562656 0.454432 0.578551 Cl\n0.237300 0.454157 0.911703 Cl\n0.891383 0.129319 0.087761 Cl\n0.545843 0.783144 0.245037 Cl\n0.237937 0.108617 0.754427 Cl\n0.216856 0.454157 0.421630 Cl\n0.870680 0.762063 0.421094 Cl\n0.545568 0.108224 0.911884 Cl\n0.891382 0.762063 0.912239 Cl\n0.545843 0.762700 0.754963 Cl\n0.891776 0.454432 0.754782 Cl\n0.237300 0.783144 0.088297 Cl\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Ru",
"Cl"
],
"chemical_system": "Cl-Ru",
"density": 3.9063812646334335,
"density_atomic": 0.04536449164963242,
"volume": 529.04814155885,
"volume_molar": 13.27500990534917,
"formula_full": "Ru6 Cl18",
"formula_reduced": "RuCl3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.057358175625,
"spacegroup": 151
},
{
"id": "jvasp-34769",
"created_at": "2022-09-04T14:37:53.241723Z",
"updated_at": "2022-09-04T14:37:53.241745Z",
"structure_string": "Ba4 Cl8\n1.0\n4.733923 -0.000000 0.000000\n-0.000000 7.875217 0.000000\n0.000000 0.000000 9.497074\nBa Cl\n4 8\ndirect\n0.250000 0.748613 0.619052 Ba\n0.750000 0.251388 0.380947 Ba\n0.250000 0.248612 0.880947 Ba\n0.750000 0.751388 0.119052 Ba\n0.250000 0.530433 0.328487 Cl\n0.750000 0.469567 0.671513 Cl\n0.250000 0.030433 0.171513 Cl\n0.750000 0.969567 0.828486 Cl\n0.750000 0.856353 0.430796 Cl\n0.250000 0.143648 0.569203 Cl\n0.750000 0.356353 0.069203 Cl\n0.250000 0.643648 0.930796 Cl\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Ba",
"Cl"
],
"chemical_system": "Ba-Cl",
"density": 3.906475489124365,
"density_atomic": 0.03389281998404666,
"volume": 354.05729017675117,
"volume_molar": 17.76819032123801,
"formula_full": "Ba4 Cl8",
"formula_reduced": "BaCl2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-85689",
"created_at": "2022-09-04T14:35:47.933735Z",
"updated_at": "2022-09-04T14:35:47.933761Z",
"structure_string": "K2 H6 Pb1 O6\n1.0\n3.353541 1.936168 4.227054\n-3.353541 1.936168 4.227054\n0.000000 -3.872335 4.227054\nK H Pb O\n2 6 1 6\ndirect\n0.709518 0.709518 0.709517 K\n0.290481 0.290481 0.290481 K\n0.632721 0.195241 0.747368 H\n0.195241 0.747369 0.632720 H\n0.747369 0.632721 0.195240 H\n0.367278 0.804759 0.252630 H\n0.804759 0.252631 0.367277 H\n0.252631 0.367278 0.804758 H\n0.000000 0.000000 0.000000 Pb\n0.813248 0.207577 0.684339 O\n0.207577 0.684340 0.813247 O\n0.684340 0.813248 0.207575 O\n0.186752 0.792423 0.315658 O\n0.792423 0.315659 0.186751 O\n0.315659 0.186752 0.792422 O\n",
"nsites": 15,
"nelements": 4,
"elements": [
"K",
"H",
"Pb",
"O"
],
"chemical_system": "H-K-O-Pb",
"density": 3.90677716828629,
"density_atomic": 0.0910868386193485,
"volume": 164.67801745414542,
"volume_molar": 6.611428007910671,
"formula_full": "K2 H6 Pb1 O6",
"formula_reduced": "K2H6PbO6",
"formula_anonymous": "AB2C6D6",
"energy_above_hull": 2.2600371880000005,
"spacegroup": 148
},
{
"id": "jvasp-50726",
"created_at": "2022-09-04T14:36:41.585727Z",
"updated_at": "2022-09-04T14:36:41.585746Z",
"structure_string": "Li2 Cu2 P2 O8\n1.0\n2.797981 4.093515 -0.000000\n-2.797981 4.093515 -0.000000\n0.000000 -0.000000 6.140012\nLi Cu P O\n2 2 2 8\ndirect\n0.500001 0.500001 0.000000 Li\n0.500001 0.500001 0.500000 Li\n0.198356 0.198356 0.250000 Cu\n0.801645 0.801645 0.750000 Cu\n0.139776 0.139776 0.750000 P\n0.860225 0.860225 0.250000 P\n0.197036 0.749379 0.250000 O\n0.250622 0.802965 0.750000 O\n0.253990 0.253990 0.549084 O\n0.253990 0.253990 0.950916 O\n0.746011 0.746011 0.049084 O\n0.746011 0.746011 0.450916 O\n0.749379 0.197036 0.250000 O\n0.802965 0.250622 0.750000 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Cu",
"P",
"O"
],
"chemical_system": "Cu-Li-O-P",
"density": 3.9068564209769097,
"density_atomic": 0.09953771640175184,
"volume": 140.65020281853285,
"volume_molar": 6.050109423541097,
"formula_full": "Li2 Cu2 P2 O8",
"formula_reduced": "LiCuPO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.833627135714286,
"spacegroup": 63
},
{
"id": "jvasp-9233",
"created_at": "2022-09-04T14:37:14.464783Z",
"updated_at": "2022-09-04T14:37:14.464800Z",
"structure_string": "Ni4 S8\n1.0\n6.658494 0.022646 -0.003512\n3.307826 5.778674 0.001727\n3.326097 1.930597 5.436858\nNi S\n4 8\ndirect\n0.499998 0.500005 0.499990 Ni\n-0.000003 0.000003 0.500008 Ni\n0.499998 0.000014 -0.000005 Ni\n0.500004 -0.000014 0.500007 Ni\n0.721022 0.759751 0.259593 S\n0.259749 0.221026 0.259642 S\n0.259629 0.759609 0.259745 S\n0.259599 0.759626 0.721026 S\n0.740253 0.778971 0.740374 S\n0.278975 0.240245 0.740399 S\n0.740407 0.240351 0.278979 S\n0.740370 0.240414 0.740251 S\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Ni",
"S"
],
"chemical_system": "Ni-S",
"density": 3.906937686682991,
"density_atomic": 0.057468190991011255,
"volume": 208.81116654388774,
"volume_molar": 10.479085309892454,
"formula_full": "Ni4 S8",
"formula_reduced": "NiS2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.3310441333333336,
"spacegroup": 227
},
{
"id": "jvasp-110318",
"created_at": "2022-09-04T14:37:53.849066Z",
"updated_at": "2022-09-04T14:37:53.849094Z",
"structure_string": "Rb2 Co1 F6\n1.0\n5.120344 -0.000000 2.956232\n1.706781 4.827507 2.956232\n-0.000000 -0.000000 5.912464\nRb Co F\n2 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.749999 0.750000 0.749999 Rb\n0.000000 0.000000 0.000000 Co\n0.783119 0.783121 0.216879 F\n0.783119 0.216880 0.783120 F\n0.216879 0.783121 0.216879 F\n0.216880 0.216880 0.783120 F\n0.216879 0.783121 0.783119 F\n0.783119 0.216880 0.216880 F\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Rb",
"Co",
"F"
],
"chemical_system": "Co-F-Rb",
"density": 3.9069621429444923,
"density_atomic": 0.06158173899311045,
"volume": 146.14722070461323,
"volume_molar": 9.779101497399635,
"formula_full": "Rb2 Co1 F6",
"formula_reduced": "Rb2CoF6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-90779",
"created_at": "2022-09-04T14:35:51.516683Z",
"updated_at": "2022-09-04T14:35:51.516716Z",
"structure_string": "Mg2 Ti6\n1.0\n2.882151 0.000000 0.000000\n0.000000 9.532724 0.000000\n0.000000 0.000000 5.194667\nMg Ti\n2 6\ndirect\n0.000000 0.000000 0.327640 Mg\n0.500000 0.500000 0.827641 Mg\n0.500000 0.000000 0.839131 Ti\n0.000000 0.247803 0.999948 Ti\n0.500000 0.252197 0.499948 Ti\n0.000000 0.500000 0.339131 Ti\n0.500000 0.747803 0.499948 Ti\n0.000000 0.752197 0.999948 Ti\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mg",
"Ti"
],
"chemical_system": "Mg-Ti",
"density": 3.907093879499478,
"density_atomic": 0.056052956566201274,
"volume": 142.72217720668507,
"volume_molar": 10.743663008904013,
"formula_full": "Mg2 Ti6",
"formula_reduced": "MgTi3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.775076666666666,
"spacegroup": 44
},
{
"id": "jvasp-43114",
"created_at": "2022-09-04T14:36:36.151578Z",
"updated_at": "2022-09-04T14:36:36.151602Z",
"structure_string": "Li2 Fe1 O2\n1.0\n3.088222 -0.000000 -0.000000\n-1.544111 2.672472 0.000344\n-0.000000 -0.001372 5.236962\nLi Fe O\n2 1 2\ndirect\n0.333264 0.666610 0.636585 Li\n0.666655 0.333390 0.363413 Li\n0.999959 0.000000 0.000000 Fe\n0.333195 0.666471 0.245662 O\n0.666724 0.333529 0.754337 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Li",
"Fe",
"O"
],
"chemical_system": "Fe-Li-O",
"density": 3.9082208555365345,
"density_atomic": 0.11568282638889113,
"volume": 43.22162723783643,
"volume_molar": 5.205734462050021,
"formula_full": "Li2 Fe1 O2",
"formula_reduced": "Li2FeO2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.7288664999999994,
"spacegroup": 164
},
{
"id": "jvasp-93106",
"created_at": "2022-09-04T14:36:15.218638Z",
"updated_at": "2022-09-04T14:36:15.218661Z",
"structure_string": "La1 Hf1 Mg6\n1.0\n6.650325 -0.013879 0.000000\n-3.337182 5.752410 0.000000\n0.000000 0.000000 5.150808\nLa Hf Mg\n1 1 6\ndirect\n0.176572 0.323428 0.250000 La\n0.326240 0.173760 0.750000 Hf\n0.184190 0.842708 0.250000 Mg\n0.657292 0.315810 0.250000 Mg\n0.668775 0.831225 0.250000 Mg\n0.336785 0.684551 0.750000 Mg\n0.815450 0.163216 0.750000 Mg\n0.834698 0.665303 0.750000 Mg\n",
"nsites": 8,
"nelements": 3,
"elements": [
"La",
"Hf",
"Mg"
],
"chemical_system": "Hf-La-Mg",
"density": 3.9084053026470333,
"density_atomic": 0.040648830277496974,
"volume": 196.80763125006249,
"volume_molar": 14.81504072537564,
"formula_full": "La1 Hf1 Mg6",
"formula_reduced": "LaHfMg6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.3446315375000001,
"spacegroup": 38
},
{
"id": "jvasp-11011",
"created_at": "2022-09-04T14:37:09.897090Z",
"updated_at": "2022-09-04T14:37:09.897112Z",
"structure_string": "Mn4 Zn1 S8\n1.0\n6.876443 0.002498 0.001766\n3.440384 5.958920 0.000000\n3.440384 1.986306 5.618125\nMn Zn S\n4 1 8\ndirect\n-0.000001 0.500000 0.500000 Mn\n0.499999 0.500000 0.000000 Mn\n0.499999 0.500000 0.500000 Mn\n0.499999 0.000001 0.500000 Mn\n0.500000 0.000000 0.000000 Zn\n0.263144 0.254078 0.254078 S\n0.263143 0.254079 0.728700 S\n0.263143 0.728700 0.254078 S\n0.729058 0.256980 0.256980 S\n0.270940 0.743021 0.743020 S\n0.736855 0.745922 0.271300 S\n0.736855 0.271301 0.745922 S\n0.736854 0.745923 0.745922 S\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Mn",
"Zn",
"S"
],
"chemical_system": "Mn-S-Zn",
"density": 3.9084691268148117,
"density_atomic": 0.05648812945597487,
"volume": 230.13684689509512,
"volume_molar": 10.660896046652551,
"formula_full": "Mn4 Zn1 S8",
"formula_reduced": "Mn4ZnS8",
"formula_anonymous": "AB4C8",
"energy_above_hull": 2.839109951193634,
"spacegroup": 166
},
{
"id": "jvasp-13998",
"created_at": "2022-09-04T14:36:30.754288Z",
"updated_at": "2022-09-04T14:36:30.754320Z",
"structure_string": "Rb12 As4 Se16\n1.0\n9.648050 -0.000000 0.000000\n0.000000 10.048310 0.000000\n0.000000 0.000000 11.344404\nRb As Se\n12 4 16\ndirect\n0.649028 0.910609 0.250000 Rb\n0.149028 0.589391 0.250000 Rb\n0.850972 0.410609 0.750000 Rb\n0.350972 0.089391 0.750000 Rb\n0.054061 0.807523 0.956969 Rb\n0.554061 0.692477 0.543031 Rb\n0.445939 0.307523 0.043031 Rb\n0.945939 0.192477 0.456969 Rb\n0.945939 0.192477 0.043031 Rb\n0.445939 0.307523 0.456969 Rb\n0.554061 0.692477 0.956969 Rb\n0.054061 0.807523 0.543031 Rb\n0.729040 0.474299 0.250000 As\n0.270960 0.525701 0.750000 As\n0.770960 0.974299 0.750000 As\n0.229040 0.025701 0.250000 As\n0.309083 0.756945 0.750000 Se\n0.809083 0.743055 0.750000 Se\n0.148111 0.469408 0.576099 Se\n0.851889 0.530592 0.076100 Se\n0.351889 0.969408 0.423900 Se\n0.648111 0.030592 0.923900 Se\n0.989261 0.085378 0.750000 Se\n0.489261 0.414622 0.750000 Se\n0.010739 0.914622 0.250000 Se\n0.648111 0.030592 0.576099 Se\n0.148111 0.469408 0.923900 Se\n0.851889 0.530592 0.423900 Se\n0.351889 0.969408 0.076100 Se\n0.690917 0.243055 0.250000 Se\n0.510739 0.585378 0.250000 Se\n0.190917 0.256945 0.250000 Se\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Rb",
"As",
"Se"
],
"chemical_system": "As-Rb-Se",
"density": 3.9084976546357804,
"density_atomic": 0.029096163166401894,
"volume": 1099.8013661454595,
"volume_molar": 20.697370734275797,
"formula_full": "Rb12 As4 Se16",
"formula_reduced": "Rb3AsSe4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 0.6295844020833333,
"spacegroup": 62
}
]
}