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=elements&page=90",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=elements&page=88",
"results": [
{
"id": "jvasp-16852",
"created_at": "2022-09-04T14:38:32.423487Z",
"updated_at": "2022-09-04T14:38:32.423512Z",
"structure_string": "Al2 Cu1\n1.0\n4.120239 0.000000 0.000000\n0.000000 4.120239 -0.000000\n0.000000 0.000000 2.909718\nAl Cu\n2 1\ndirect\n0.500000 0.000000 0.500000 Al\n0.000000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Cu\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Al",
"Cu"
],
"chemical_system": "Al-Cu",
"density": 3.9502519428845466,
"density_atomic": 0.06073311223075926,
"volume": 49.39644766764648,
"volume_molar": 9.915745363284692,
"formula_full": "Al2 Cu1",
"formula_reduced": "Al2Cu",
"formula_anonymous": "AB2",
"energy_above_hull": 0.8539920166666666,
"spacegroup": 123
},
{
"id": "jvasp-36200",
"created_at": "2022-09-04T14:37:28.803305Z",
"updated_at": "2022-09-04T14:37:28.803331Z",
"structure_string": "Al1 Cu3\n1.0\n3.687996 -0.000000 -0.000000\n-0.000000 3.687996 0.000000\n-0.000000 0.000000 3.687996\nAl Cu\n1 3\ndirect\n0.000000 0.000000 0.000000 Al\n0.500001 0.500001 0.000000 Cu\n0.500001 0.000000 0.500001 Cu\n0.000000 0.500001 0.500001 Cu\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Al",
"Cu"
],
"chemical_system": "Al-Cu",
"density": 7.2040324200903,
"density_atomic": 0.0797422833767183,
"volume": 50.161593456049026,
"volume_molar": 7.552004413455553,
"formula_full": "Al1 Cu3",
"formula_reduced": "AlCu3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0621510375,
"spacegroup": 221
},
{
"id": "jvasp-100950",
"created_at": "2022-09-04T14:36:57.703359Z",
"updated_at": "2022-09-04T14:36:57.703373Z",
"structure_string": "Al2 Cu6\n1.0\n5.202811 -0.000000 0.000000\n-2.601405 4.505766 0.000000\n-0.000000 -0.000000 4.221997\nAl Cu\n2 6\ndirect\n0.333334 0.666667 0.750001 Al\n0.666667 0.333334 0.250000 Al\n0.165826 0.331652 0.250000 Cu\n0.668350 0.834175 0.250000 Cu\n0.165827 0.834175 0.250000 Cu\n0.834175 0.668349 0.750001 Cu\n0.331652 0.165826 0.750001 Cu\n0.834174 0.165826 0.750001 Cu\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Al",
"Cu"
],
"chemical_system": "Al-Cu",
"density": 7.302177316540431,
"density_atomic": 0.08082866079540944,
"volume": 98.97479336258345,
"volume_molar": 7.450501716517391,
"formula_full": "Al2 Cu6",
"formula_reduced": "AlCu3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0575110375,
"spacegroup": 194
},
{
"id": "jvasp-16362",
"created_at": "2022-09-04T14:38:00.653529Z",
"updated_at": "2022-09-04T14:38:00.653545Z",
"structure_string": "Al3 Cu2\n1.0\n2.073470 -3.591355 0.000000\n2.073470 3.591355 -0.000000\n0.000000 -0.000000 5.074783\nAl Cu\n3 2\ndirect\n0.000000 0.000000 0.000000 Al\n0.333333 0.666667 0.650565 Al\n0.666667 0.333333 0.349434 Al\n0.333333 0.666667 0.164831 Cu\n0.666667 0.333333 0.835169 Cu\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Al",
"Cu"
],
"chemical_system": "Al-Cu",
"density": 4.570727320786087,
"density_atomic": 0.06615557363547474,
"volume": 75.5794217362638,
"volume_molar": 9.102998325103682,
"formula_full": "Al3 Cu2",
"formula_reduced": "Al3Cu2",
"formula_anonymous": "A2B3",
"energy_above_hull": 0.86309386,
"spacegroup": 164
},
{
"id": "jvasp-13988",
"created_at": "2022-09-04T14:37:17.608967Z",
"updated_at": "2022-09-04T14:37:17.608994Z",
"structure_string": "Al2 Cu1\n1.0\n4.120229 0.000000 0.000000\n0.000000 4.120229 0.000000\n0.000000 0.000000 2.909730\nAl Cu\n2 1\ndirect\n0.500000 0.000000 0.500000 Al\n0.000000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Cu\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Al",
"Cu"
],
"chemical_system": "Al-Cu",
"density": 3.9502548265329613,
"density_atomic": 0.06073315656538534,
"volume": 49.39641160870996,
"volume_molar": 9.915738124884982,
"formula_full": "Al2 Cu1",
"formula_reduced": "Al2Cu",
"formula_anonymous": "AB2",
"energy_above_hull": 0.8539920166666666,
"spacegroup": 123
},
{
"id": "jvasp-85872",
"created_at": "2022-09-04T14:35:48.992290Z",
"updated_at": "2022-09-04T14:35:48.992313Z",
"structure_string": "Al5 Cu5\n1.0\n3.885560 -0.000000 1.321915\n1.273200 5.713218 2.629084\n-0.012093 -0.005534 6.407001\nAl Cu\n5 5\ndirect\n0.500000 0.500001 0.500000 Al\n0.844594 0.461469 0.849344 Al\n0.155407 0.538532 0.150656 Al\n0.622010 0.995889 0.760091 Al\n0.377990 0.004112 0.239908 Al\n0.000000 0.000000 0.000000 Cu\n0.741941 0.244082 0.272037 Cu\n0.258060 0.755919 0.727962 Cu\n0.891032 0.772657 0.445279 Cu\n0.108969 0.227344 0.554720 Cu\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Al",
"Cu"
],
"chemical_system": "Al-Cu",
"density": 5.279438742420252,
"density_atomic": 0.0702405560635431,
"volume": 142.36789342831375,
"volume_molar": 8.573594939299845,
"formula_full": "Al5 Cu5",
"formula_reduced": "AlCu",
"formula_anonymous": "AB",
"energy_above_hull": 0.3094116250000001,
"spacegroup": 12
},
{
"id": "jvasp-86371",
"created_at": "2022-09-04T14:35:53.864086Z",
"updated_at": "2022-09-04T14:35:53.864103Z",
"structure_string": "Al5 Cu5\n1.0\n3.885560 -0.000000 1.321915\n1.273200 5.713218 2.629084\n-0.012093 -0.005534 6.407001\nAl Cu\n5 5\ndirect\n0.500000 0.500001 0.500000 Al\n0.844594 0.461469 0.849344 Al\n0.155407 0.538532 0.150656 Al\n0.622010 0.995889 0.760091 Al\n0.377990 0.004112 0.239908 Al\n0.000000 0.000000 0.000000 Cu\n0.741941 0.244082 0.272037 Cu\n0.258060 0.755919 0.727962 Cu\n0.891032 0.772657 0.445279 Cu\n0.108969 0.227344 0.554720 Cu\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Al",
"Cu"
],
"chemical_system": "Al-Cu",
"density": 5.279438742420252,
"density_atomic": 0.0702405560635431,
"volume": 142.36789342831375,
"volume_molar": 8.573594939299845,
"formula_full": "Al5 Cu5",
"formula_reduced": "AlCu",
"formula_anonymous": "AB",
"energy_above_hull": 0.3094116250000001,
"spacegroup": 12
},
{
"id": "jvasp-35244",
"created_at": "2022-09-04T14:38:06.606671Z",
"updated_at": "2022-09-04T14:38:06.606704Z",
"structure_string": "Al1 Cu1\n1.0\n2.997266 -0.000000 -0.000000\n0.000000 2.997266 -0.000000\n-0.000000 0.000000 2.997266\nAl Cu\n1 1\ndirect\n0.000000 0.000000 0.000000 Al\n0.500001 0.500001 0.500001 Cu\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Al",
"Cu"
],
"chemical_system": "Al-Cu",
"density": 5.582824144555491,
"density_atomic": 0.07427696227777103,
"volume": 26.926249252368024,
"volume_molar": 8.107683156830252,
"formula_full": "Al1 Cu1",
"formula_reduced": "AlCu",
"formula_anonymous": "AB",
"energy_above_hull": 0.3559166250000001,
"spacegroup": 221
},
{
"id": "jvasp-38019",
"created_at": "2022-09-04T14:38:06.425497Z",
"updated_at": "2022-09-04T14:38:06.425525Z",
"structure_string": "Al2 Cu1\n1.0\n0.000000 4.098680 0.000000\n2.897805 -2.049340 2.049340\n0.000000 0.000000 -4.098680\nAl Cu\n2 1\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.000000 0.500000 Al\n0.250000 0.500001 0.750000 Cu\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Al",
"Cu"
],
"chemical_system": "Al-Cu",
"density": 4.008328721563757,
"density_atomic": 0.06162601313139138,
"volume": 48.680741257815434,
"volume_molar": 9.7720758718568,
"formula_full": "Al2 Cu1",
"formula_reduced": "Al2Cu",
"formula_anonymous": "AB2",
"energy_above_hull": 0.7957786833333333,
"spacegroup": 225
},
{
"id": "jvasp-38020",
"created_at": "2022-09-04T14:38:07.461132Z",
"updated_at": "2022-09-04T14:38:07.461155Z",
"structure_string": "Al3 Cu1\n1.0\n2.815937 -0.000000 0.000000\n-0.000000 2.815937 0.000000\n-0.000000 -0.000000 7.696921\nAl Cu\n3 1\ndirect\n0.000000 0.000000 0.500000 Al\n0.500000 0.500000 0.777363 Al\n0.500000 0.500000 0.222637 Al\n0.000000 0.000000 0.000000 Cu\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Al",
"Cu"
],
"chemical_system": "Al-Cu",
"density": 3.93120636120906,
"density_atomic": 0.06553859000714339,
"volume": 61.032744213203536,
"volume_molar": 9.188694415524678,
"formula_full": "Al3 Cu1",
"formula_reduced": "Al3Cu",
"formula_anonymous": "AB3",
"energy_above_hull": 1.1361372125000002,
"spacegroup": 123
},
{
"id": "jvasp-106483",
"created_at": "2022-09-04T14:36:56.484119Z",
"updated_at": "2022-09-04T14:36:56.484134Z",
"structure_string": "Al3 Cu1\n1.0\n3.928758 0.000000 0.000000\n0.000000 3.928758 0.000000\n-0.000000 -0.000000 3.928758\nAl Cu\n3 1\ndirect\n-0.000000 0.500000 0.500000 Al\n0.500000 0.000000 0.500000 Al\n0.500000 0.500000 -0.000000 Al\n0.000000 0.000000 0.000000 Cu\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Al",
"Cu"
],
"chemical_system": "Al-Cu",
"density": 3.9566069028610182,
"density_atomic": 0.06596205179783278,
"volume": 60.6409274875137,
"volume_molar": 9.129705028669017,
"formula_full": "Al3 Cu1",
"formula_reduced": "Al3Cu",
"formula_anonymous": "AB3",
"energy_above_hull": 1.1474447125000002,
"spacegroup": 221
},
{
"id": "jvasp-59483",
"created_at": "2022-09-04T14:37:37.404088Z",
"updated_at": "2022-09-04T14:37:37.404109Z",
"structure_string": "Al16 F48\n1.0\n10.303533 0.000000 -0.000000\n-0.000000 10.303533 -0.000000\n0.000000 -0.000000 7.256549\nAl F\n16 48\ndirect\n0.000000 0.836227 0.671783 Al\n0.250000 0.750000 0.000000 Al\n0.250000 0.250000 0.000000 Al\n0.750000 0.750000 0.000000 Al\n0.500000 0.000000 0.909041 Al\n0.000000 0.500000 0.090959 Al\n0.500000 0.000000 0.412881 Al\n0.000000 0.500000 0.587119 Al\n0.750000 0.250000 0.000000 Al\n0.500000 0.336227 0.328217 Al\n0.500000 0.663772 0.328217 Al\n0.836227 0.000000 0.328217 Al\n0.336227 0.500000 0.671783 Al\n0.663772 0.500000 0.671783 Al\n0.000000 0.163773 0.671783 Al\n0.163773 0.000000 0.328217 Al\n0.301448 0.627472 0.837206 F\n0.127472 0.801448 0.837206 F\n0.872528 0.198552 0.837206 F\n0.698552 0.627472 0.837206 F\n0.627472 0.698552 0.162794 F\n0.801448 0.127472 0.162794 F\n0.372528 0.301448 0.162794 F\n0.127472 0.198552 0.837206 F\n0.301448 0.372528 0.837206 F\n0.872528 0.801448 0.837206 F\n0.500000 0.000000 0.662215 F\n0.198552 0.127472 0.162794 F\n0.801448 0.872528 0.162794 F\n0.627472 0.301448 0.162794 F\n0.372528 0.698552 0.162794 F\n0.500000 0.000000 0.158778 F\n0.000000 0.500000 0.841222 F\n0.198552 0.872528 0.162794 F\n0.000000 0.500000 0.337785 F\n0.326435 0.000000 0.411487 F\n0.500000 0.173565 0.411487 F\n0.698552 0.372528 0.837206 F\n0.128845 0.628845 0.091345 F\n0.673565 0.000000 0.411487 F\n0.871155 0.628845 0.091345 F\n0.000000 0.000000 0.755732 F\n0.500000 0.500000 0.755732 F\n0.500000 0.500000 0.244268 F\n0.000000 0.000000 0.244268 F\n0.623504 0.376495 0.500000 F\n0.876495 0.876495 0.500000 F\n0.123505 0.123505 0.500000 F\n0.376495 0.623504 0.500000 F\n0.876495 0.123505 0.500000 F\n0.623504 0.623504 0.500000 F\n0.376495 0.376495 0.500000 F\n0.123505 0.876495 0.500000 F\n0.000000 0.673565 0.588513 F\n0.000000 0.326435 0.588513 F\n0.826434 0.500000 0.588513 F\n0.500000 0.826434 0.411487 F\n0.173565 0.500000 0.588513 F\n0.371155 0.128845 0.908655 F\n0.628845 0.871155 0.908655 F\n0.628845 0.128845 0.908655 F\n0.128845 0.371155 0.091345 F\n0.871155 0.371155 0.091345 F\n0.371155 0.871155 0.908655 F\n",
"nsites": 64,
"nelements": 2,
"elements": [
"Al",
"F"
],
"chemical_system": "Al-F",
"density": 2.8961807911490056,
"density_atomic": 0.08307636945025115,
"volume": 770.3755041718006,
"volume_molar": 7.248921444028984,
"formula_full": "Al16 F48",
"formula_reduced": "AlF3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0073349999999998,
"spacegroup": 129
}
]
}