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_reduced&page=73",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=71",
"results": [
{
"id": "jvasp-86885",
"created_at": "2022-09-04T14:36:08.841877Z",
"updated_at": "2022-09-04T14:36:08.841904Z",
"structure_string": "Al10 C6 N2\n1.0\n3.308165 -0.000000 -0.000000\n-1.654082 2.864954 0.000000\n0.000000 -0.000000 21.876286\nAl C N\n10 6 2\ndirect\n0.000000 0.000000 0.159119 Al\n0.000000 0.000000 0.847609 Al\n0.666668 0.333332 0.952872 Al\n0.000000 0.000000 0.659119 Al\n0.000000 0.000000 0.347609 Al\n0.333333 0.666666 0.262570 Al\n0.333333 0.666666 0.452872 Al\n0.666668 0.333332 0.762570 Al\n0.666668 0.333332 0.544560 Al\n0.333333 0.666666 0.044560 Al\n0.000000 0.000000 0.748889 C\n0.666668 0.333332 0.865873 C\n0.000000 0.000000 0.248889 C\n0.000000 0.000000 0.002039 C\n0.333333 0.666666 0.365873 C\n0.000000 0.000000 0.502039 C\n0.666668 0.333332 0.629469 N\n0.333333 0.666666 0.129469 N\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Al",
"C",
"N"
],
"chemical_system": "Al-C-N",
"density": 2.962421052223966,
"density_atomic": 0.08681486550675324,
"volume": 207.33776289269028,
"volume_molar": 6.936762183351587,
"formula_full": "Al10 C6 N2",
"formula_reduced": "Al5C3N",
"formula_anonymous": "AB3C5",
"energy_above_hull": 4.1103785833333335,
"spacegroup": 186
},
{
"id": "jvasp-86283",
"created_at": "2022-09-04T14:35:41.632646Z",
"updated_at": "2022-09-04T14:35:41.632670Z",
"structure_string": "Al10 C6 N2\n1.0\n3.308163 0.000000 0.000000\n-1.654081 2.864953 -0.000000\n0.000000 -0.000000 21.876318\nAl C N\n10 6 2\ndirect\n0.000000 0.000000 0.159120 Al\n0.000000 0.000000 0.847607 Al\n0.666666 0.333333 0.952871 Al\n0.000000 0.000000 0.659120 Al\n0.000000 0.000000 0.347607 Al\n0.333333 0.666666 0.262570 Al\n0.333333 0.666666 0.452871 Al\n0.666666 0.333333 0.762570 Al\n0.666666 0.333333 0.544560 Al\n0.333333 0.666666 0.044560 Al\n0.000000 0.000000 0.748890 C\n0.666666 0.333333 0.865872 C\n0.000000 0.000000 0.248890 C\n0.000000 0.000000 0.002039 C\n0.333333 0.666666 0.365872 C\n0.000000 0.000000 0.502039 C\n0.666666 0.333333 0.629470 N\n0.333333 0.666666 0.129470 N\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Al",
"C",
"N"
],
"chemical_system": "Al-C-N",
"density": 2.9624195438800465,
"density_atomic": 0.08681482130416616,
"volume": 207.33786846067258,
"volume_molar": 6.936765715269638,
"formula_full": "Al10 C6 N2",
"formula_reduced": "Al5C3N",
"formula_anonymous": "AB3C5",
"energy_above_hull": 4.1103785833333335,
"spacegroup": 186
},
{
"id": "jvasp-11965",
"created_at": "2022-09-04T14:35:53.091318Z",
"updated_at": "2022-09-04T14:35:53.091335Z",
"structure_string": "Al20 Co8\n1.0\n7.695706 0.000000 -0.000000\n-3.847852 6.664676 -0.000000\n0.000000 -0.000000 7.597702\nAl Co\n20 8\ndirect\n0.000000 0.000000 0.000000 Al\n0.194285 0.805716 0.560110 Al\n0.194284 0.388568 0.560110 Al\n0.611433 0.805716 0.560110 Al\n0.388568 0.194284 0.060110 Al\n0.805717 0.611432 0.439890 Al\n0.805717 0.194284 0.060110 Al\n0.194285 0.805716 0.939890 Al\n0.611433 0.805716 0.939890 Al\n0.388568 0.194284 0.439890 Al\n0.805717 0.611432 0.060110 Al\n0.194284 0.388568 0.939890 Al\n0.805717 0.194284 0.439890 Al\n0.468176 0.936352 0.250000 Al\n0.531825 0.468176 0.750000 Al\n0.936353 0.468176 0.750000 Al\n0.000000 0.000000 0.500000 Al\n0.468176 0.531825 0.250000 Al\n0.531825 0.063648 0.750000 Al\n0.063649 0.531825 0.250000 Al\n0.128617 0.871384 0.250000 Co\n0.333334 0.666667 0.750000 Co\n0.666668 0.333333 0.250000 Co\n0.128617 0.257233 0.250000 Co\n0.871384 0.128617 0.750000 Co\n0.257233 0.128617 0.750000 Co\n0.742768 0.871384 0.250000 Co\n0.871384 0.742767 0.750000 Co\n",
"nsites": 28,
"nelements": 2,
"elements": [
"Al",
"Co"
],
"chemical_system": "Al-Co",
"density": 4.308557246616491,
"density_atomic": 0.07185355610379734,
"volume": 389.6814788060329,
"volume_molar": 8.38113113191031,
"formula_full": "Al20 Co8",
"formula_reduced": "Al5Co2",
"formula_anonymous": "A2B5",
"energy_above_hull": 2.3789794000000004,
"spacegroup": 194
},
{
"id": "jvasp-20259",
"created_at": "2022-09-04T14:37:32.731776Z",
"updated_at": "2022-09-04T14:37:32.731810Z",
"structure_string": "Al20 Co8\n1.0\n3.847853 -6.664676 -0.000000\n3.847853 6.664676 0.000000\n0.000000 0.000000 7.597701\nAl Co\n20 8\ndirect\n0.000000 0.000000 0.000000 Al\n0.194284 0.805716 0.560110 Al\n0.194284 0.388568 0.560110 Al\n0.611431 0.805716 0.560110 Al\n0.388568 0.194284 0.060110 Al\n0.805716 0.611431 0.439890 Al\n0.805716 0.194284 0.060110 Al\n0.194284 0.805716 0.939890 Al\n0.611431 0.805716 0.939890 Al\n0.388568 0.194284 0.439890 Al\n0.805716 0.611431 0.060110 Al\n0.194284 0.388568 0.939890 Al\n0.805716 0.194284 0.439890 Al\n0.468175 0.936351 0.250000 Al\n0.531824 0.468175 0.750000 Al\n0.936351 0.468175 0.750000 Al\n0.000000 0.000000 0.500000 Al\n0.468175 0.531824 0.250000 Al\n0.531825 0.063648 0.750000 Al\n0.063648 0.531825 0.250000 Al\n0.128616 0.871383 0.250000 Co\n0.333333 0.666667 0.750000 Co\n0.666667 0.333333 0.250000 Co\n0.128616 0.257233 0.250000 Co\n0.871383 0.128616 0.750000 Co\n0.257233 0.128616 0.750000 Co\n0.742766 0.871383 0.250000 Co\n0.871383 0.742766 0.750000 Co\n",
"nsites": 28,
"nelements": 2,
"elements": [
"Al",
"Co"
],
"chemical_system": "Al-Co",
"density": 4.3085578137034615,
"density_atomic": 0.07185356556107345,
"volume": 389.6814275166458,
"volume_molar": 8.38113002879635,
"formula_full": "Al20 Co8",
"formula_reduced": "Al5Co2",
"formula_anonymous": "A2B5",
"energy_above_hull": 2.3789794000000004,
"spacegroup": 194
},
{
"id": "jvasp-11597",
"created_at": "2022-09-04T14:37:14.777981Z",
"updated_at": "2022-09-04T14:37:14.778005Z",
"structure_string": "Al5 Cu1 S8\n1.0\n7.079127 0.000000 0.000000\n3.539564 6.130704 0.000000\n3.539564 2.043568 5.780083\nAl Cu S\n5 1 8\ndirect\n0.019659 0.493447 0.493447 Al\n0.493447 0.493447 0.019660 Al\n0.493447 0.019660 0.493447 Al\n0.493447 0.493447 0.493447 Al\n0.875000 0.875000 0.875000 Al\n0.125000 0.125000 0.125000 Cu\n0.256929 0.256929 0.256929 S\n0.256929 0.729213 0.256929 S\n0.256928 0.256929 0.729212 S\n0.729213 0.256929 0.256929 S\n0.274885 0.741705 0.741704 S\n0.741705 0.741705 0.274885 S\n0.741705 0.274886 0.741704 S\n0.741705 0.741705 0.741704 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Al",
"Cu",
"S"
],
"chemical_system": "Al-Cu-S",
"density": 3.0116968649485947,
"density_atomic": 0.05580895736495781,
"volume": 250.85578840773212,
"volume_molar": 10.790634773229565,
"formula_full": "Al5 Cu1 S8",
"formula_reduced": "Al5CuS8",
"formula_anonymous": "AB5C8",
"energy_above_hull": 1.9630310321428572,
"spacegroup": 216
},
{
"id": "jvasp-13290",
"created_at": "2022-09-04T14:36:36.408820Z",
"updated_at": "2022-09-04T14:36:36.408840Z",
"structure_string": "Al5 Cu1 S8\n1.0\n7.079127 0.000000 0.000000\n3.539564 6.130704 0.000000\n3.539564 2.043568 5.780083\nAl Cu S\n5 1 8\ndirect\n0.019659 0.493447 0.493447 Al\n0.493447 0.493447 0.019660 Al\n0.493447 0.019660 0.493447 Al\n0.493447 0.493447 0.493447 Al\n0.875000 0.875000 0.875000 Al\n0.125000 0.125000 0.125000 Cu\n0.256929 0.256929 0.256929 S\n0.256929 0.729213 0.256929 S\n0.256928 0.256929 0.729212 S\n0.729213 0.256929 0.256929 S\n0.274885 0.741705 0.741704 S\n0.741705 0.741705 0.274885 S\n0.741705 0.274886 0.741704 S\n0.741705 0.741705 0.741704 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Al",
"Cu",
"S"
],
"chemical_system": "Al-Cu-S",
"density": 3.0116968649485947,
"density_atomic": 0.05580895736495781,
"volume": 250.85578840773212,
"volume_molar": 10.790634773229565,
"formula_full": "Al5 Cu1 S8",
"formula_reduced": "Al5CuS8",
"formula_anonymous": "AB5C8",
"energy_above_hull": 1.9630310321428572,
"spacegroup": 216
},
{
"id": "jvasp-11598",
"created_at": "2022-09-04T14:37:17.427339Z",
"updated_at": "2022-09-04T14:37:17.427367Z",
"structure_string": "Al5 Cu1 Se8\n1.0\n7.503843 0.000000 -0.000000\n3.751922 6.498519 0.000000\n3.751922 2.166173 6.126862\nAl Cu Se\n5 1 8\ndirect\n0.250000 0.250000 0.250000 Al\n0.104198 0.631934 0.631934 Al\n0.631934 0.631934 0.104198 Al\n0.631934 0.104198 0.631934 Al\n0.631934 0.631934 0.631934 Al\n0.000000 0.000000 0.000000 Cu\n0.383604 0.383604 0.383604 Se\n0.383603 0.849188 0.383604 Se\n0.383604 0.383604 0.849187 Se\n0.849187 0.383604 0.383604 Se\n0.393879 0.868707 0.868707 Se\n0.868706 0.868707 0.393880 Se\n0.868706 0.393879 0.868707 Se\n0.868706 0.868707 0.868707 Se\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Al",
"Cu",
"Se"
],
"chemical_system": "Al-Cu-Se",
"density": 4.613822771404699,
"density_atomic": 0.0468588693375346,
"volume": 298.76947945873303,
"volume_molar": 12.851656143517278,
"formula_full": "Al5 Cu1 Se8",
"formula_reduced": "Al5CuSe8",
"formula_anonymous": "AB5C8",
"energy_above_hull": 1.6308058130952383,
"spacegroup": 216
},
{
"id": "jvasp-13358",
"created_at": "2022-09-04T14:37:02.059856Z",
"updated_at": "2022-09-04T14:37:02.059875Z",
"structure_string": "Al5 Cu1 Se8\n1.0\n7.503843 0.000000 -0.000000\n3.751922 6.498519 0.000000\n3.751922 2.166173 6.126862\nAl Cu Se\n5 1 8\ndirect\n0.250000 0.250000 0.250000 Al\n0.104198 0.631934 0.631934 Al\n0.631934 0.631934 0.104198 Al\n0.631934 0.104198 0.631934 Al\n0.631934 0.631934 0.631934 Al\n0.000000 0.000000 0.000000 Cu\n0.383604 0.383604 0.383604 Se\n0.383603 0.849188 0.383604 Se\n0.383604 0.383604 0.849187 Se\n0.849187 0.383604 0.383604 Se\n0.393879 0.868707 0.868707 Se\n0.868706 0.868707 0.393880 Se\n0.868706 0.393879 0.868707 Se\n0.868706 0.868707 0.868707 Se\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Al",
"Cu",
"Se"
],
"chemical_system": "Al-Cu-Se",
"density": 4.613822771404699,
"density_atomic": 0.0468588693375346,
"volume": 298.76947945873303,
"volume_molar": 12.851656143517278,
"formula_full": "Al5 Cu1 Se8",
"formula_reduced": "Al5CuSe8",
"formula_anonymous": "AB5C8",
"energy_above_hull": 1.6308058130952383,
"spacegroup": 216
},
{
"id": "jvasp-54772",
"created_at": "2022-09-04T14:37:02.933952Z",
"updated_at": "2022-09-04T14:37:02.933976Z",
"structure_string": "Al10 H2 O16\n1.0\n5.628450 -0.000000 -0.000000\n-2.814225 4.874424 0.000000\n-0.000000 0.000001 8.827760\nAl H O\n10 2 16\ndirect\n0.834308 0.165676 0.865668 Al\n0.666666 0.333332 0.547733 Al\n0.666673 0.333344 0.158679 Al\n0.333328 0.666655 0.658679 Al\n0.668632 0.834323 0.365669 Al\n0.333334 0.666667 0.047733 Al\n0.165693 0.834323 0.365669 Al\n0.331368 0.165675 0.865668 Al\n0.834308 0.668615 0.865671 Al\n0.165692 0.331384 0.365672 Al\n-0.000006 -0.000013 0.597771 H\n0.000006 0.000012 0.097771 H\n0.668181 0.834080 0.762644 O\n0.834104 0.668206 0.262636 O\n0.834100 0.165920 0.262644 O\n0.331820 0.165920 0.262644 O\n0.165897 0.331793 0.762637 O\n0.165900 0.834080 0.762644 O\n0.970995 0.485491 0.000977 O\n-0.000002 -0.000004 0.985262 O\n0.514497 0.485491 0.000977 O\n0.029006 0.514508 0.500977 O\n0.485498 0.970995 0.500978 O\n0.485503 0.514508 0.500977 O\n0.666662 0.333324 0.754739 O\n0.000002 0.000004 0.485262 O\n0.514502 0.029004 0.000978 O\n0.333338 0.666675 0.254738 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Al",
"H",
"O"
],
"chemical_system": "Al-H-O",
"density": 3.6188757908820763,
"density_atomic": 0.11560999914865686,
"volume": 242.19358365357536,
"volume_molar": 5.209013756895236,
"formula_full": "Al10 H2 O16",
"formula_reduced": "Al5HO8",
"formula_anonymous": "AB5C8",
"energy_above_hull": 2.4551301428571426,
"spacegroup": 186
},
{
"id": "jvasp-52849",
"created_at": "2022-09-04T14:36:57.688242Z",
"updated_at": "2022-09-04T14:36:57.688267Z",
"structure_string": "Al10 H2 O16\n1.0\n2.871254 -4.973159 -0.000000\n2.871254 4.973159 -0.000000\n-0.000000 0.000000 8.729250\nAl H O\n10 2 16\ndirect\n0.826506 0.653013 0.121982 Al\n0.666666 0.333332 0.452890 Al\n0.666666 0.333332 0.826768 Al\n0.333332 0.666666 0.326768 Al\n0.653013 0.826506 0.621982 Al\n0.333332 0.666666 0.952890 Al\n0.173492 0.346985 0.621982 Al\n0.346985 0.173492 0.121982 Al\n0.826507 0.173492 0.121982 Al\n0.173492 0.826507 0.621982 Al\n0.000000 0.000000 0.138427 H\n0.000000 0.000000 0.638427 H\n0.170253 0.340507 0.220481 O\n0.340507 0.170253 0.720481 O\n0.829746 0.170253 0.720481 O\n0.829745 0.659491 0.720481 O\n0.659491 0.829745 0.220481 O\n0.170253 0.829746 0.220481 O\n0.966756 0.483378 0.986930 O\n0.000000 0.000000 0.021395 O\n0.516621 0.033242 0.986930 O\n0.033242 0.516621 0.486930 O\n0.483378 0.516620 0.486930 O\n0.483378 0.966756 0.486930 O\n0.666666 0.333332 0.239041 O\n0.000000 0.000000 0.521395 O\n0.516620 0.483378 0.986930 O\n0.333332 0.666666 0.739041 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Al",
"H",
"O"
],
"chemical_system": "Al-H-O",
"density": 3.515810230878412,
"density_atomic": 0.1123174270923567,
"volume": 249.29345983839247,
"volume_molar": 5.361715377479308,
"formula_full": "Al10 H2 O16",
"formula_reduced": "Al5HO8",
"formula_anonymous": "AB5C8",
"energy_above_hull": 2.4725515714285717,
"spacegroup": 186
},
{
"id": "jvasp-54857",
"created_at": "2022-09-04T14:37:55.055105Z",
"updated_at": "2022-09-04T14:37:55.055130Z",
"structure_string": "Al10 Mo2\n1.0\n4.788703 -0.004126 7.886826\n2.203749 4.251493 7.886826\n-0.006793 -0.004126 9.226791\nAl Mo\n10 2\ndirect\n0.330519 0.330517 0.330519 Al\n0.750000 0.402674 0.097326 Al\n0.250001 0.597323 0.902676 Al\n0.169482 0.169481 0.169482 Al\n0.597325 0.902674 0.250001 Al\n0.669482 0.669480 0.669483 Al\n0.402676 0.097323 0.750001 Al\n0.830519 0.830516 0.830520 Al\n0.902676 0.249998 0.597326 Al\n0.097325 0.749999 0.402676 Al\n0.500001 0.499999 0.500001 Mo\n0.000000 0.000000 0.000000 Mo\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Al",
"Mo"
],
"chemical_system": "Al-Mo",
"density": 4.072677275102077,
"density_atomic": 0.06374653914135592,
"volume": 188.24551358608477,
"volume_molar": 9.447008168782459,
"formula_full": "Al10 Mo2",
"formula_reduced": "Al5Mo",
"formula_anonymous": "AB5",
"energy_above_hull": 2.6302649833333334,
"spacegroup": 167
},
{
"id": "jvasp-86733",
"created_at": "2022-09-04T14:38:17.681938Z",
"updated_at": "2022-09-04T14:38:17.681959Z",
"structure_string": "Al10 Mo2\n1.0\n4.935291 0.000000 -0.000000\n-2.467645 4.274088 -0.000000\n0.000000 0.000000 8.898753\nAl Mo\n10 2\ndirect\n0.661300 -0.000000 0.250000 Al\n-0.000001 0.661301 0.250000 Al\n0.661300 0.661301 0.750000 Al\n0.000000 0.000000 0.000000 Al\n0.338699 -0.000000 0.750000 Al\n0.666667 0.333333 0.500000 Al\n0.338699 0.338700 0.250000 Al\n0.000000 0.000000 0.500000 Al\n0.333332 0.666667 0.000000 Al\n-0.000000 0.338700 0.750000 Al\n0.333332 0.666667 0.500000 Mo\n0.666667 0.333333 0.000000 Mo\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Al",
"Mo"
],
"chemical_system": "Al-Mo",
"density": 4.084315238382181,
"density_atomic": 0.06392869938427431,
"volume": 187.7091214990658,
"volume_molar": 9.420089596694304,
"formula_full": "Al10 Mo2",
"formula_reduced": "Al5Mo",
"formula_anonymous": "AB5",
"energy_above_hull": 2.62945665,
"spacegroup": 182
}
]
}