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=formula_full&page=4533",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_full&page=4531",
"results": [
{
"id": "jvasp-7076",
"created_at": "2022-09-04T14:38:29.858550Z",
"updated_at": "2022-09-04T14:38:29.858574Z",
"structure_string": "Zn2 Cu4 Sn2 S8\n1.0\n5.466544 0.000000 0.000000\n-0.000000 5.466544 0.000000\n0.000000 -0.000000 10.926878\nZn Cu Sn S\n2 4 2 8\ndirect\n0.000000 0.500000 0.250000 Zn\n0.500000 -0.000000 0.750000 Zn\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.500000 Cu\n0.500000 -0.000000 0.250000 Cu\n0.000000 0.500000 0.750000 Cu\n0.000000 0.000000 0.500000 Sn\n0.500000 0.500000 0.000000 Sn\n0.241420 0.234707 0.129472 S\n0.758579 0.765293 0.129472 S\n0.234707 0.758579 0.870528 S\n0.765293 0.241420 0.870528 S\n0.741419 0.734706 0.629473 S\n0.258580 0.265293 0.629473 S\n0.734706 0.258580 0.370528 S\n0.265293 0.741419 0.370528 S\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Zn",
"Cu",
"Sn",
"S"
],
"chemical_system": "Cu-S-Sn-Zn",
"density": 4.469794170553366,
"density_atomic": 0.04900023832762938,
"volume": 326.5290240635056,
"volume_molar": 12.29002340709911,
"formula_full": "Zn2 Cu4 Sn2 S8",
"formula_reduced": "ZnCu2SnS4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 0.746049125,
"spacegroup": 82
},
{
"id": "jvasp-7079",
"created_at": "2022-09-04T14:38:32.235935Z",
"updated_at": "2022-09-04T14:38:32.235954Z",
"structure_string": "Zn2 Cu4 Sn2 Se8\n1.0\n5.756358 -0.000000 0.000000\n0.000000 5.756358 -0.000000\n-0.000000 -0.000000 11.508753\nZn Cu Sn Se\n2 4 2 8\ndirect\n0.500000 0.500000 0.000000 Zn\n0.000000 0.000000 0.500000 Zn\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.500000 Cu\n-0.000000 0.500000 0.750000 Cu\n0.500000 0.000000 0.250000 Cu\n0.500000 0.000000 0.750000 Sn\n-0.000000 0.500000 0.250000 Sn\n0.768210 0.260068 0.880322 Se\n0.231791 0.739932 0.880322 Se\n0.260068 0.231791 0.119677 Se\n0.739932 0.768210 0.119677 Se\n0.268209 0.760068 0.380323 Se\n0.731791 0.239932 0.380323 Se\n0.760068 0.731791 0.619677 Se\n0.239932 0.268209 0.619677 Se\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Zn",
"Cu",
"Sn",
"Se"
],
"chemical_system": "Cu-Se-Sn-Zn",
"density": 5.460822960437328,
"density_atomic": 0.041956197559124414,
"volume": 381.35009678731967,
"volume_molar": 14.353399760580393,
"formula_full": "Zn2 Cu4 Sn2 Se8",
"formula_reduced": "ZnCu2SnSe4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 0.4689470583333333,
"spacegroup": 82
},
{
"id": "jvasp-2154",
"created_at": "2022-09-04T14:35:42.679069Z",
"updated_at": "2022-09-04T14:35:42.679091Z",
"structure_string": "Zn2 F4\n1.0\n4.745809 0.000000 0.000000\n0.000000 4.745809 0.000000\n0.000000 0.000000 3.179803\nZn F\n2 4\ndirect\n0.500000 0.500000 0.499999 Zn\n0.000000 0.000000 0.000000 Zn\n0.696844 0.696844 0.000000 F\n0.196843 0.803157 0.499999 F\n0.303157 0.303157 0.000000 F\n0.803157 0.196843 0.499999 F\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Zn",
"F"
],
"chemical_system": "F-Zn",
"density": 4.795162098993239,
"density_atomic": 0.08377810340387323,
"volume": 71.6177587725459,
"volume_molar": 7.188203737399937,
"formula_full": "Zn2 F4",
"formula_reduced": "ZnF2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 136
},
{
"id": "jvasp-75516",
"created_at": "2022-09-04T14:35:49.113507Z",
"updated_at": "2022-09-04T14:35:49.113540Z",
"structure_string": "Zn2 Fe1 As1\n1.0\n-0.000000 3.123299 3.123299\n3.123299 -0.000000 3.123299\n3.123299 3.123299 0.000000\nZn Fe As\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Zn\n0.750000 0.750000 0.750000 Zn\n0.250000 0.250000 0.250000 Fe\n0.500000 0.500000 0.500000 As\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zn",
"Fe",
"As"
],
"chemical_system": "As-Fe-Zn",
"density": 7.1283758138248405,
"density_atomic": 0.06564313427605108,
"volume": 60.935542522675384,
"volume_molar": 9.174060358962917,
"formula_full": "Zn2 Fe1 As1",
"formula_reduced": "Zn2FeAs",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.7282145124999999,
"spacegroup": 216
},
{
"id": "jvasp-99900",
"created_at": "2022-09-04T14:36:20.632611Z",
"updated_at": "2022-09-04T14:36:20.632635Z",
"structure_string": "Zn2 Fe1 S3\n1.0\n3.813921 0.000000 -0.000000\n-1.906961 3.302953 -0.000000\n-0.000000 0.000000 9.399401\nZn Fe S\n2 1 3\ndirect\n0.666667 0.333333 0.333178 Zn\n0.333333 0.666666 0.668792 Zn\n0.000000 0.000000 -0.001100 Fe\n0.000000 0.000000 0.246397 S\n0.666667 0.333333 0.583373 S\n0.333333 0.666666 0.919361 S\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Zn",
"Fe",
"S"
],
"chemical_system": "Fe-S-Zn",
"density": 3.96682735002078,
"density_atomic": 0.05067304304074492,
"volume": 118.40615127801878,
"volume_molar": 11.884308497434716,
"formula_full": "Zn2 Fe1 S3",
"formula_reduced": "Zn2FeS3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.99655105,
"spacegroup": 156
},
{
"id": "jvasp-9539",
"created_at": "2022-09-04T14:37:28.448639Z",
"updated_at": "2022-09-04T14:37:28.448647Z",
"structure_string": "Zn2 Fe2 F8\n1.0\n-5.079452 0.007154 0.148803\n-0.008020 -5.254197 -0.007406\n2.359142 2.616262 5.071554\nZn Fe F\n2 2 8\ndirect\n0.265343 0.221392 0.509496 Zn\n0.765408 0.788740 0.509546 Zn\n-0.014866 0.531051 0.018886 Fe\n0.485176 -0.011476 0.018949 Fe\n0.366411 0.824175 0.263992 F\n0.179851 0.547109 0.771155 F\n0.684621 0.203602 0.708390 F\n0.679921 0.724770 0.771248 F\n0.766978 0.424141 0.216134 F\n0.866431 0.940408 0.264019 F\n0.266979 0.292613 0.216120 F\n0.184656 0.005505 0.708446 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Zn",
"Fe",
"F"
],
"chemical_system": "F-Fe-Zn",
"density": 4.7782551139503715,
"density_atomic": 0.08753056470960681,
"volume": 137.094968366895,
"volume_molar": 6.880043308276574,
"formula_full": "Zn2 Fe2 F8",
"formula_reduced": "ZnFeF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 9
},
{
"id": "jvasp-46371",
"created_at": "2022-09-04T14:36:14.311356Z",
"updated_at": "2022-09-04T14:36:14.311382Z",
"structure_string": "Zn2 Fe2 O6\n1.0\n2.479557 1.431573 4.588906\n-2.479556 1.431573 4.588906\n-0.000000 -2.863145 4.588906\nZn Fe O\n2 2 6\ndirect\n0.366857 0.366857 0.366858 Zn\n0.633143 0.633143 0.633145 Zn\n0.159599 0.159599 0.159599 Fe\n0.840401 0.840401 0.840404 Fe\n0.048045 0.786282 0.437530 O\n0.562471 0.951955 0.213720 O\n0.213718 0.562472 0.951956 O\n0.786282 0.437528 0.048047 O\n0.437528 0.048045 0.786283 O\n0.951954 0.213718 0.562474 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Zn",
"Fe",
"O"
],
"chemical_system": "Fe-O-Zn",
"density": 5.75129437563725,
"density_atomic": 0.10231803277668765,
"volume": 97.73448265786459,
"volume_molar": 5.885708116714396,
"formula_full": "Zn2 Fe2 O6",
"formula_reduced": "ZnFeO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.64546328,
"spacegroup": 148
},
{
"id": "jvasp-9516",
"created_at": "2022-09-04T14:37:15.774937Z",
"updated_at": "2022-09-04T14:37:15.774967Z",
"structure_string": "Zn2 Fe2 P2 O10\n1.0\n5.148941 -0.239037 -0.151130\n-0.907486 5.501986 0.131297\n-2.047597 -2.154808 6.287172\nZn Fe P O\n2 2 2 10\ndirect\n0.274505 0.164772 0.785523 Zn\n0.733990 0.825066 0.243622 Zn\n0.004259 0.494905 0.514549 Fe\n0.004244 0.494931 0.014549 Fe\n0.669418 0.846638 0.748590 P\n0.339079 0.143207 0.280515 P\n0.742659 0.720458 0.926216 O\n0.906207 0.864188 0.651088 O\n0.265833 0.269410 0.102902 O\n0.102282 0.125660 0.378013 O\n0.627841 0.290396 0.463865 O\n0.353953 0.865196 0.179562 O\n0.380661 0.699434 0.565239 O\n0.654541 0.124652 0.849532 O\n0.885470 0.536058 0.251994 O\n0.123031 0.453777 0.777110 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Zn",
"Fe",
"P",
"O"
],
"chemical_system": "Fe-O-P-Zn",
"density": 4.375292720561643,
"density_atomic": 0.09076940257914815,
"volume": 176.27085279148432,
"volume_molar": 6.634549296222234,
"formula_full": "Zn2 Fe2 P2 O10",
"formula_reduced": "ZnFePO5",
"formula_anonymous": "ABCD5",
"energy_above_hull": 2.2296548625,
"spacegroup": 2
},
{
"id": "jvasp-9966",
"created_at": "2022-09-04T14:37:19.711230Z",
"updated_at": "2022-09-04T14:37:19.711252Z",
"structure_string": "Zn2 Fe4 O8\n1.0\n2.868127 0.000000 0.000000\n-1.434064 4.740561 0.000000\n0.000000 -0.000000 9.670115\nZn Fe O\n2 4 8\ndirect\n0.382544 0.765084 0.750000 Zn\n0.617458 0.234916 0.250000 Zn\n0.872497 0.744992 0.069031 Fe\n0.127505 0.255008 0.930968 Fe\n0.872497 0.744992 0.430968 Fe\n0.127505 0.255008 0.569031 Fe\n0.225303 0.450605 0.389050 O\n0.774699 0.549395 0.610950 O\n0.774699 0.549395 0.889050 O\n0.225303 0.450605 0.110950 O\n0.955929 0.911855 0.250000 O\n0.044073 0.088145 0.750000 O\n0.500000 -0.000000 0.000000 O\n0.500000 -0.000000 0.500000 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Zn",
"Fe",
"O"
],
"chemical_system": "Fe-O-Zn",
"density": 6.089903669114658,
"density_atomic": 0.10648005814286036,
"volume": 131.48001836378336,
"volume_molar": 5.655651269386345,
"formula_full": "Zn2 Fe4 O8",
"formula_reduced": "Zn(FeO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.2442907714285707,
"spacegroup": 63
},
{
"id": "jvasp-10855",
"created_at": "2022-09-04T14:37:07.850928Z",
"updated_at": "2022-09-04T14:37:07.850948Z",
"structure_string": "Zn2 Fe4 O8\n1.0\n5.776870 -0.002268 -0.001757\n-2.885553 5.003640 -0.001136\n-2.887003 -1.664117 4.718120\nZn Fe O\n2 4 8\ndirect\n0.749997 0.874998 0.125001 Zn\n0.250003 0.125000 0.874997 Zn\n0.500000 -0.000001 0.500000 Fe\n-0.000000 0.500000 -0.000000 Fe\n0.500000 0.499999 0.499999 Fe\n-0.000000 0.499999 0.500000 Fe\n0.526787 0.263388 0.290090 O\n0.973208 0.263306 0.736590 O\n0.526798 0.263404 0.736696 O\n0.026797 0.290095 0.263390 O\n0.473201 0.736594 0.263302 O\n0.026791 0.736693 0.263409 O\n0.973202 0.709903 0.736609 O\n0.473212 0.736611 0.709908 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Zn",
"Fe",
"O"
],
"chemical_system": "Fe-O-Zn",
"density": 5.874398892490185,
"density_atomic": 0.10271202462511933,
"volume": 136.30341774585318,
"volume_molar": 5.863131198104354,
"formula_full": "Zn2 Fe4 O8",
"formula_reduced": "Zn(FeO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.223713628571428,
"spacegroup": 227
},
{
"id": "jvasp-9931",
"created_at": "2022-09-04T14:38:12.881119Z",
"updated_at": "2022-09-04T14:38:12.881150Z",
"structure_string": "Zn2 Fe4 O8\n1.0\n5.007200 -0.012049 -2.880943\n-3.329213 4.720397 -0.015238\n-0.008757 0.012118 5.776886\nZn Fe O\n2 4 8\ndirect\n0.250054 0.125029 0.875003 Zn\n0.749947 0.874971 0.124998 Zn\n0.500001 0.000000 0.500001 Fe\n0.499999 0.500000 0.500000 Fe\n0.000001 0.500001 0.000000 Fe\n-0.000000 0.500000 0.500000 Fe\n0.026726 0.736645 0.263376 O\n0.473257 0.736642 0.709906 O\n0.473241 0.736601 0.263356 O\n0.973277 0.709911 0.736638 O\n0.526761 0.263400 0.736646 O\n0.526743 0.263358 0.290095 O\n0.026721 0.290089 0.263363 O\n0.973276 0.263357 0.736627 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Zn",
"Fe",
"O"
],
"chemical_system": "Fe-O-Zn",
"density": 5.874173633750459,
"density_atomic": 0.10270808604661194,
"volume": 136.30864461485913,
"volume_molar": 5.863356033396412,
"formula_full": "Zn2 Fe4 O8",
"formula_reduced": "Zn(FeO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.2237064857142848,
"spacegroup": 227
},
{
"id": "jvasp-10853",
"created_at": "2022-09-04T14:37:06.562431Z",
"updated_at": "2022-09-04T14:37:06.562468Z",
"structure_string": "Zn2 Fe4 O8\n1.0\n5.949221 -0.011323 -0.026617\n2.964805 5.157838 -0.026617\n2.949609 1.702958 4.816693\nZn Fe O\n2 4 8\ndirect\n-0.000000 0.500001 0.499999 Zn\n0.500000 0.000001 0.499999 Zn\n0.128713 0.128713 0.121287 Fe\n0.500000 0.500001 -0.000001 Fe\n0.500000 0.500001 0.499999 Fe\n0.871286 0.871289 0.878711 Fe\n0.265858 0.265859 0.240026 O\n0.265859 0.265860 0.728255 O\n0.267576 0.743117 0.244653 O\n0.743116 0.267577 0.244653 O\n0.256883 0.732425 0.755345 O\n0.732424 0.256885 0.755345 O\n0.734141 0.734143 0.271743 O\n0.734141 0.734143 0.759972 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Zn",
"Fe",
"O"
],
"chemical_system": "Fe-O-Zn",
"density": 5.3917928876260355,
"density_atomic": 0.09427380979445701,
"volume": 148.50359851292606,
"volume_molar": 6.387925525795483,
"formula_full": "Zn2 Fe4 O8",
"formula_reduced": "Zn(FeO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.226227914285713,
"spacegroup": 74
}
]
}