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=-spacegroup&page=3650",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=3648",
"results": [
{
"id": "jvasp-63306",
"created_at": "2022-09-04T14:35:42.538442Z",
"updated_at": "2022-09-04T14:35:42.538460Z",
"structure_string": "Be4 B8 C8\n1.0\n4.694214 0.000000 0.000000\n0.000000 5.426814 0.000000\n0.000000 0.000000 6.141766\nBe B C\n4 8 8\ndirect\n0.816616 0.500000 0.704091 Be\n0.816616 0.500000 0.295910 Be\n0.183384 0.000000 0.795910 Be\n0.183384 0.000000 0.204090 Be\n0.478469 0.500000 0.500000 B\n0.521530 0.000000 0.000000 B\n0.499064 0.500000 0.000000 B\n0.500935 0.000000 0.500000 B\n0.991748 0.248384 0.500000 B\n0.008251 0.251615 0.000000 B\n0.008251 0.748384 0.000000 B\n0.991748 0.751615 0.500000 B\n0.855903 0.000000 0.000000 C\n0.339578 0.757114 0.000000 C\n0.339578 0.242886 0.000000 C\n0.660421 0.257114 0.500000 C\n0.660421 0.742885 0.500000 C\n0.834028 0.500000 0.000000 C\n0.165971 0.000000 0.500000 C\n0.144096 0.500000 0.500000 C\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Be",
"B",
"C"
],
"chemical_system": "B-Be-C",
"density": 2.3202913718750637,
"density_atomic": 0.12782885790580323,
"volume": 156.45919339072833,
"volume_molar": 4.7110964289751385,
"formula_full": "Be4 B8 C8",
"formula_reduced": "Be(BC)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 4.830820253333334,
"spacegroup": 59
},
{
"id": "jvasp-3837",
"created_at": "2022-09-04T14:35:44.023045Z",
"updated_at": "2022-09-04T14:35:44.023072Z",
"structure_string": "In2 Cl2 O2\n1.0\n3.576713 0.000000 0.000000\n0.000000 4.116284 0.000000\n0.000000 0.000000 8.091498\nIn Cl O\n2 2 2\ndirect\n0.000000 0.000000 0.125388 In\n0.500000 0.500000 0.874612 In\n0.000000 0.500000 0.650545 Cl\n0.500000 0.000000 0.349456 Cl\n0.500000 0.000000 0.954019 O\n0.000000 0.500000 0.045982 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"In",
"Cl",
"O"
],
"chemical_system": "Cl-In-O",
"density": 4.635276862562667,
"density_atomic": 0.05036547047021622,
"volume": 119.12923564464901,
"volume_molar": 11.956883761388097,
"formula_full": "In2 Cl2 O2",
"formula_reduced": "InClO",
"formula_anonymous": "ABC",
"energy_above_hull": 0.1115125125000001,
"spacegroup": 59
},
{
"id": "jvasp-91964",
"created_at": "2022-09-04T14:35:43.103531Z",
"updated_at": "2022-09-04T14:35:43.103559Z",
"structure_string": "Ag6 Sb2\n1.0\n4.858541 -0.000000 0.000000\n-0.000000 5.398462 0.000000\n0.000000 0.000000 6.031634\nAg Sb\n6 2\ndirect\n0.750000 0.682197 0.250000 Ag\n0.250000 0.317803 0.749999 Ag\n0.250000 0.846272 0.501262 Ag\n0.750000 0.153728 0.498738 Ag\n0.250000 0.846272 0.998737 Ag\n0.750000 0.153728 0.001262 Ag\n0.250000 0.337843 0.250000 Sb\n0.750000 0.662157 0.749999 Sb\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ag",
"Sb"
],
"chemical_system": "Ag-Sb",
"density": 9.349403120956499,
"density_atomic": 0.05056838521592475,
"volume": 158.20161086497734,
"volume_molar": 11.908904613595487,
"formula_full": "Ag6 Sb2",
"formula_reduced": "Ag3Sb",
"formula_anonymous": "AB3",
"energy_above_hull": 0.21210197,
"spacegroup": 59
},
{
"id": "jvasp-91745",
"created_at": "2022-09-04T14:35:44.748297Z",
"updated_at": "2022-09-04T14:35:44.748325Z",
"structure_string": "Li2 Ti2 N2 Cl2\n1.0\n0.000000 -3.362280 0.000000\n-4.114062 0.000000 0.000000\n0.000000 0.000000 -7.969106\nLi Ti N Cl\n2 2 2 2\ndirect\n0.000000 0.000000 0.336031 Li\n0.500000 0.500000 0.663970 Li\n0.000000 0.500000 0.054758 Ti\n0.500000 0.000000 0.945243 Ti\n0.000000 0.000000 0.083757 N\n0.500000 0.500000 0.916244 N\n0.500000 0.500000 0.346949 Cl\n0.000000 0.000000 0.653052 Cl\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Li",
"Ti",
"N",
"Cl"
],
"chemical_system": "Cl-Li-N-Ti",
"density": 3.1413373183355464,
"density_atomic": 0.07257309986580733,
"volume": 110.23368182966625,
"volume_molar": 8.298034355891307,
"formula_full": "Li2 Ti2 N2 Cl2",
"formula_reduced": "LiTiNCl",
"formula_anonymous": "ABCD",
"energy_above_hull": 2.030816412708334,
"spacegroup": 59
},
{
"id": "jvasp-93919",
"created_at": "2022-09-04T14:35:44.215355Z",
"updated_at": "2022-09-04T14:35:44.215380Z",
"structure_string": "Co2 Te2 Mo2\n1.0\n0.000000 -3.783669 0.000000\n-4.889497 0.000000 0.000000\n0.000000 0.000000 -5.920673\nCo Te Mo\n2 2 2\ndirect\n0.000000 0.500000 0.257636 Co\n0.500000 0.000000 0.742364 Co\n0.500000 0.500000 0.950153 Te\n0.000000 0.000000 0.049846 Te\n0.500000 0.500000 0.502544 Mo\n0.000000 0.000000 0.497456 Mo\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Co",
"Te",
"Mo"
],
"chemical_system": "Co-Mo-Te",
"density": 8.56461684997722,
"density_atomic": 0.054777581544175884,
"volume": 109.53386094932367,
"volume_molar": 10.99380547705157,
"formula_full": "Co2 Te2 Mo2",
"formula_reduced": "CoTeMo",
"formula_anonymous": "ABC",
"energy_above_hull": 3.160028188888889,
"spacegroup": 59
},
{
"id": "jvasp-94795",
"created_at": "2022-09-04T14:35:44.253111Z",
"updated_at": "2022-09-04T14:35:44.253143Z",
"structure_string": "Hf2 Au6\n1.0\n0.000000 4.842190 0.000000\n0.000000 -0.000000 4.934712\n6.110951 0.000000 0.000000\nHf Au\n2 6\ndirect\n0.750000 0.337956 0.750000 Hf\n0.250000 0.662044 0.250000 Hf\n0.750000 0.835207 0.001272 Au\n0.750000 0.835207 0.498728 Au\n0.250000 0.164793 0.998728 Au\n0.250000 0.164793 0.501272 Au\n0.250000 0.654804 0.750000 Au\n0.750000 0.345195 0.250000 Au\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Hf",
"Au"
],
"chemical_system": "Au-Hf",
"density": 17.49899172573349,
"density_atomic": 0.05478700346941863,
"volume": 146.02003200385823,
"volume_molar": 10.991914831336741,
"formula_full": "Hf2 Au6",
"formula_reduced": "HfAu3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.5619889274999998,
"spacegroup": 59
},
{
"id": "jvasp-91676",
"created_at": "2022-09-04T14:35:44.674038Z",
"updated_at": "2022-09-04T14:35:44.674067Z",
"structure_string": "Ti2 Cu2 Ni4\n1.0\n0.000000 4.238313 0.000000\n0.000000 0.000000 4.424400\n5.191641 0.000000 0.000000\nTi Cu Ni\n2 2 4\ndirect\n0.749999 0.329641 0.750000 Ti\n0.250000 0.670359 0.250000 Ti\n0.250000 0.690322 0.750000 Cu\n0.749999 0.309678 0.250000 Cu\n0.749999 0.824792 0.999191 Ni\n0.749999 0.824792 0.500809 Ni\n0.250000 0.175208 0.000809 Ni\n0.250000 0.175208 0.499191 Ni\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ti",
"Cu",
"Ni"
],
"chemical_system": "Cu-Ni-Ti",
"density": 7.805175455325629,
"density_atomic": 0.0821746614546194,
"volume": 97.35361069200104,
"volume_molar": 7.3284643385183905,
"formula_full": "Ti2 Cu2 Ni4",
"formula_reduced": "TiCuNi2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.2778058958333331,
"spacegroup": 59
},
{
"id": "jvasp-95675",
"created_at": "2022-09-04T14:35:44.995272Z",
"updated_at": "2022-09-04T14:35:44.995293Z",
"structure_string": "Ba2 Ti8 O18\n1.0\n3.816067 -0.000000 0.000000\n-0.000000 6.356528 0.000000\n0.000000 0.000000 14.661951\nBa Ti O\n2 8 18\ndirect\n0.750000 0.711288 0.250000 Ba\n0.250000 0.288713 0.750000 Ba\n0.250000 0.805589 0.037579 Ti\n0.750000 0.194411 0.962421 Ti\n0.250000 0.805589 0.462421 Ti\n0.750000 0.194411 0.537579 Ti\n0.250000 0.251749 0.128453 Ti\n0.750000 0.748251 0.871547 Ti\n0.250000 0.251749 0.371547 Ti\n0.750000 0.748251 0.628453 Ti\n0.750000 0.257844 0.100216 O\n0.250000 0.742157 0.899784 O\n0.750000 0.257844 0.399784 O\n0.250000 0.742157 0.600216 O\n0.750000 0.657893 0.750000 O\n0.750000 0.849220 0.489694 O\n0.250000 0.150781 0.510306 O\n0.250000 0.955229 0.151613 O\n0.750000 0.044771 0.848387 O\n0.250000 0.955229 0.348387 O\n0.750000 0.044771 0.651613 O\n0.250000 0.560042 0.094272 O\n0.750000 0.439958 0.905727 O\n0.250000 0.560042 0.405727 O\n0.750000 0.439958 0.594272 O\n0.250000 0.342108 0.250000 O\n0.250000 0.150781 0.989694 O\n0.750000 0.849220 0.010306 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Ba",
"Ti",
"O"
],
"chemical_system": "Ba-O-Ti",
"density": 4.414883913783273,
"density_atomic": 0.0787281981834429,
"volume": 355.65401782418286,
"volume_molar": 7.649280561417065,
"formula_full": "Ba2 Ti8 O18",
"formula_reduced": "BaTi4O9",
"formula_anonymous": "AB4C9",
"energy_above_hull": 3.009782914523809,
"spacegroup": 59
},
{
"id": "jvasp-90786",
"created_at": "2022-09-04T14:35:45.649988Z",
"updated_at": "2022-09-04T14:35:45.650009Z",
"structure_string": "Mg2 Ti6\n1.0\n4.743304 0.000000 0.000000\n0.000000 5.808879 0.000000\n0.000000 0.000000 5.170211\nMg Ti\n2 6\ndirect\n0.000000 0.000000 0.156619 Mg\n0.500000 0.500000 0.843381 Mg\n0.000000 0.251885 0.652301 Ti\n0.000000 0.500000 0.166379 Ti\n0.000000 0.748115 0.652301 Ti\n0.500000 0.000000 0.833621 Ti\n0.500000 0.248115 0.347699 Ti\n0.500000 0.751885 0.347699 Ti\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mg",
"Ti"
],
"chemical_system": "Mg-Ti",
"density": 3.914386920943855,
"density_atomic": 0.05615758587584293,
"volume": 142.45626615230492,
"volume_molar": 10.723646086415046,
"formula_full": "Mg2 Ti6",
"formula_reduced": "MgTi3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.7726966666666666,
"spacegroup": 59
},
{
"id": "jvasp-3894",
"created_at": "2022-09-04T14:35:45.348821Z",
"updated_at": "2022-09-04T14:35:45.348850Z",
"structure_string": "Ti2 N2 Cl2\n1.0\n3.274125 0.000000 0.000000\n0.000000 3.953715 0.000000\n0.000000 0.000000 7.808354\nTi N Cl\n2 2 2\ndirect\n0.499999 0.000000 0.099460 Ti\n0.000000 0.499999 0.900539 Ti\n0.000000 0.000000 0.950902 N\n0.499999 0.499999 0.049097 N\n0.499999 0.499999 0.665670 Cl\n0.000000 0.000000 0.334330 Cl\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ti",
"N",
"Cl"
],
"chemical_system": "Cl-N-Ti",
"density": 3.197797662708227,
"density_atomic": 0.0593596237830409,
"volume": 101.07880774194201,
"volume_molar": 10.145180134582542,
"formula_full": "Ti2 N2 Cl2",
"formula_reduced": "TiNCl",
"formula_anonymous": "ABC",
"energy_above_hull": 2.132105216944444,
"spacegroup": 59
},
{
"id": "jvasp-50363",
"created_at": "2022-09-04T14:35:45.727259Z",
"updated_at": "2022-09-04T14:35:45.727290Z",
"structure_string": "Li10 Bi2 S8\n1.0\n5.660617 0.000000 0.000000\n0.000000 7.749389 0.000000\n0.000000 0.000000 9.232272\nLi Bi S\n10 2 8\ndirect\n0.243810 0.734761 0.704019 Li\n0.756191 0.765240 0.795981 Li\n0.233009 0.500000 0.000000 Li\n0.756191 0.234761 0.204019 Li\n0.756191 0.765240 0.204019 Li\n0.756191 0.234761 0.795981 Li\n0.243810 0.734761 0.295981 Li\n0.766992 0.000000 0.500000 Li\n0.243810 0.265240 0.704019 Li\n0.243810 0.265240 0.295981 Li\n0.819678 0.500000 0.500000 Bi\n0.180323 0.000000 0.000000 Bi\n0.486263 0.250128 0.000000 S\n0.987775 0.500000 0.784947 S\n0.513737 0.750128 0.500000 S\n0.513737 0.249872 0.500000 S\n0.987775 0.500000 0.215052 S\n0.012225 0.000000 0.284948 S\n0.486263 0.749872 0.000000 S\n0.012225 0.000000 0.715052 S\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Li",
"Bi",
"S"
],
"chemical_system": "Bi-Li-S",
"density": 3.0501307786401806,
"density_atomic": 0.04938444430749047,
"volume": 404.9858266192228,
"volume_molar": 12.194408268529573,
"formula_full": "Li10 Bi2 S8",
"formula_reduced": "Li5BiS4",
"formula_anonymous": "AB4C5",
"energy_above_hull": 1.3198044299999998,
"spacegroup": 59
},
{
"id": "jvasp-88418",
"created_at": "2022-09-04T14:35:45.856647Z",
"updated_at": "2022-09-04T14:35:45.856680Z",
"structure_string": "Mg2 Cu4 O6\n1.0\n3.203729 0.000000 0.000000\n-0.000000 4.065922 0.000000\n0.000000 0.000000 9.441304\nMg Cu O\n2 4 6\ndirect\n0.615692 0.750000 0.750000 Mg\n0.384308 0.250000 0.250000 Mg\n0.839066 0.750000 0.086539 Cu\n0.839066 0.750000 0.413461 Cu\n0.160935 0.250000 0.913461 Cu\n0.160935 0.250000 0.586538 Cu\n0.110234 0.750000 0.597816 O\n0.110234 0.750000 0.902183 O\n0.889767 0.250000 0.402184 O\n0.485130 0.750000 0.250000 O\n0.514871 0.250000 0.750000 O\n0.889767 0.250000 0.097816 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Mg",
"Cu",
"O"
],
"chemical_system": "Cu-Mg-O",
"density": 5.384520012856105,
"density_atomic": 0.09757407636792356,
"volume": 122.98348543676168,
"volume_molar": 6.171865503796575,
"formula_full": "Mg2 Cu4 O6",
"formula_reduced": "MgCu2O3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.783485075,
"spacegroup": 59
}
]
}