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_anonymous&page=3585",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_anonymous&page=3583",
"results": [
{
"id": "jvasp-103533",
"created_at": "2022-09-04T14:38:40.318633Z",
"updated_at": "2022-09-04T14:38:40.318666Z",
"structure_string": "Mn1 Fe2 N2\n1.0\n2.895591 -0.000042 0.000142\n-1.447501 2.507760 -0.000065\n0.000020 0.000024 6.237555\nMn Fe N\n1 2 2\ndirect\n0.000002 0.000001 0.499999 Mn\n0.666797 0.333370 0.166332 Fe\n0.333201 0.666648 0.833668 Fe\n0.666577 0.333309 0.705144 N\n0.333422 0.666706 0.294856 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Mn",
"Fe",
"N"
],
"chemical_system": "Fe-Mn-N",
"density": 7.135928282500261,
"density_atomic": 0.11039160900529785,
"volume": 45.29329760706761,
"volume_molar": 5.4552522734866455,
"formula_full": "Mn1 Fe2 N2",
"formula_reduced": "Mn(FeN)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 4.540688948275861,
"spacegroup": 164
},
{
"id": "jvasp-114375",
"created_at": "2022-09-04T14:38:41.653688Z",
"updated_at": "2022-09-04T14:38:41.653719Z",
"structure_string": "Y2 S1 O2\n1.0\n3.794302 -0.000000 0.000000\n-1.897151 3.285962 -0.000000\n0.000000 0.000000 6.604872\nY S O\n2 1 2\ndirect\n0.333333 0.666667 0.282132 Y\n0.666666 0.333333 0.717867 Y\n0.000000 0.000000 0.000000 S\n0.333333 0.666667 0.629841 O\n0.666666 0.333333 0.370158 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Y",
"S",
"O"
],
"chemical_system": "O-S-Y",
"density": 4.87732999497347,
"density_atomic": 0.060717120528641096,
"volume": 82.3490962098809,
"volume_molar": 9.918356976693705,
"formula_full": "Y2 S1 O2",
"formula_reduced": "Y2SO2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.97499958,
"spacegroup": 164
},
{
"id": "jvasp-106386",
"created_at": "2022-09-04T14:38:39.429347Z",
"updated_at": "2022-09-04T14:38:39.429379Z",
"structure_string": "Sr1 Co2 N2\n1.0\n3.341673 -0.000000 -0.000007\n-1.670835 2.893973 -0.000000\n0.000000 0.000000 6.168274\nSr Co N\n1 2 2\ndirect\n-0.000000 -0.000000 0.500000 Sr\n0.666667 0.333333 0.119689 Co\n0.333333 0.666666 0.880310 Co\n0.666667 0.333333 0.802819 N\n0.333333 0.666666 0.197180 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sr",
"Co",
"N"
],
"chemical_system": "Co-N-Sr",
"density": 6.500002294581929,
"density_atomic": 0.08382005134099407,
"volume": 59.65159791729497,
"volume_molar": 7.184606384337464,
"formula_full": "Sr1 Co2 N2",
"formula_reduced": "Sr(CoN)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.4248249219999995,
"spacegroup": 164
},
{
"id": "jvasp-112400",
"created_at": "2022-09-04T14:38:39.663345Z",
"updated_at": "2022-09-04T14:38:39.663362Z",
"structure_string": "Fe4 H8 O8\n1.0\n3.128321 0.000204 -0.526812\n1.543744 5.385102 -0.381308\n0.006766 0.124008 9.600389\nFe H O\n4 8 8\ndirect\n0.435188 0.491504 0.505152 Fe\n0.171296 0.258497 0.744851 Fe\n0.935333 -0.008673 0.005144 Fe\n0.671151 0.758674 0.244858 Fe\n0.238480 0.406896 0.027084 H\n0.479400 0.676589 0.778991 H\n0.979081 0.176871 0.278854 H\n0.738291 0.907065 0.527098 H\n0.868173 0.842928 0.722901 H\n0.127065 0.073407 0.471009 H\n0.367979 0.343105 0.222915 H\n0.627374 0.573131 0.971143 H\n0.533368 0.517830 0.728239 O\n0.317132 0.498574 0.276606 O\n0.073114 0.232167 0.521762 O\n0.817256 -0.001595 0.776588 O\n0.573255 0.732014 0.021771 O\n0.033224 0.017989 0.228228 O\n0.789226 0.751592 0.473413 O\n0.289351 0.251428 0.973395 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Fe",
"H",
"O"
],
"chemical_system": "Fe-H-O",
"density": 3.689012183184555,
"density_atomic": 0.12361356417121441,
"volume": 161.79454199943982,
"volume_molar": 4.871747530601793,
"formula_full": "Fe4 H8 O8",
"formula_reduced": "Fe(HO)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.6622064999999995,
"spacegroup": 12
},
{
"id": "jvasp-110616",
"created_at": "2022-09-04T14:38:39.393978Z",
"updated_at": "2022-09-04T14:38:39.394006Z",
"structure_string": "Fe4 Ni2 N4\n1.0\n2.776490 -0.000000 0.000000\n-0.000000 2.776841 0.000000\n0.000000 0.000000 11.829301\nFe Ni N\n4 2 4\ndirect\n0.750000 0.749947 0.070293 Fe\n0.750000 0.749947 0.429707 Fe\n0.250000 0.250052 0.929707 Fe\n0.250000 0.250052 0.570293 Fe\n0.750000 0.750118 0.750000 Ni\n0.250000 0.249882 0.250000 Ni\n0.750000 0.749995 0.595091 N\n0.750000 0.749995 0.904909 N\n0.250000 0.250004 0.404909 N\n0.250000 0.250004 0.095091 N\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Fe",
"Ni",
"N"
],
"chemical_system": "Fe-N-Ni",
"density": 7.224495863952061,
"density_atomic": 0.10964625192491055,
"volume": 91.2023879014883,
"volume_molar": 5.492336175908836,
"formula_full": "Fe4 Ni2 N4",
"formula_reduced": "Fe2NiN2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.88161598,
"spacegroup": 139
},
{
"id": "jvasp-100533",
"created_at": "2022-09-04T14:38:40.093615Z",
"updated_at": "2022-09-04T14:38:40.093632Z",
"structure_string": "Nd4 Cd2 Au4\n1.0\n3.882623 0.000000 0.000000\n-0.000000 8.097714 -0.000000\n-0.000000 0.000000 8.097714\nNd Cd Au\n4 2 4\ndirect\n0.500000 0.171462 0.671462 Nd\n0.500000 0.828537 0.328538 Nd\n0.500000 0.328538 0.171462 Nd\n0.500000 0.671462 0.828537 Nd\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Cd\n0.000000 0.628459 0.128459 Au\n0.000000 0.371540 0.871540 Au\n0.000000 0.871540 0.628459 Au\n0.000000 0.128459 0.371540 Au\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Nd",
"Cd",
"Au"
],
"chemical_system": "Au-Cd-Nd",
"density": 10.368173009987574,
"density_atomic": 0.03927804913202224,
"volume": 254.59512936571215,
"volume_molar": 15.332077058507283,
"formula_full": "Nd4 Cd2 Au4",
"formula_reduced": "Nd2CdAu2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.4338998139999998,
"spacegroup": 127
},
{
"id": "jvasp-102850",
"created_at": "2022-09-04T14:38:44.369246Z",
"updated_at": "2022-09-04T14:38:44.369265Z",
"structure_string": "W2 O4 F4\n1.0\n3.890185 -0.000000 0.000000\n0.000000 6.489797 0.000000\n0.000000 -0.000000 7.709201\nW O F\n2 4 4\ndirect\n0.950774 0.000000 0.984451 W\n0.049225 0.000000 0.484451 W\n0.493016 0.000000 0.968085 O\n0.004225 0.000000 0.716360 O\n0.506982 0.000000 0.468085 O\n0.995774 0.000000 0.216360 O\n0.014431 0.284640 0.954112 F\n0.014431 0.715360 0.954112 F\n0.985567 0.284640 0.454112 F\n0.985567 0.715360 0.454112 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
"W",
"O",
"F"
],
"chemical_system": "F-O-W",
"density": 4.331326263250256,
"density_atomic": 0.05137942783859947,
"volume": 194.63042740400795,
"volume_molar": 11.720918300058973,
"formula_full": "W2 O4 F4",
"formula_reduced": "W(OF)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.167407513,
"spacegroup": 26
},
{
"id": "jvasp-106385",
"created_at": "2022-09-04T14:38:40.022406Z",
"updated_at": "2022-09-04T14:38:40.022424Z",
"structure_string": "Sr2 Sn1 N2\n1.0\n3.692896 0.000000 -0.994204\n-0.267679 3.683023 -0.994273\n0.007393 0.008229 7.383052\nSr Sn N\n2 1 2\ndirect\n0.839949 0.839948 0.179899 Sr\n0.160051 0.160052 0.820102 Sr\n0.500000 0.500000 0.500000 Sn\n0.346756 0.346756 0.193514 N\n0.653244 0.653244 0.806487 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sr",
"Sn",
"N"
],
"chemical_system": "N-Sn-Sr",
"density": 5.320972531837168,
"density_atomic": 0.049762869906782276,
"volume": 100.47652013170045,
"volume_molar": 12.101674946161479,
"formula_full": "Sr2 Sn1 N2",
"formula_reduced": "Sr2SnN2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.923394164,
"spacegroup": 139
},
{
"id": "jvasp-110605",
"created_at": "2022-09-04T14:38:38.951851Z",
"updated_at": "2022-09-04T14:38:38.951876Z",
"structure_string": "Ce1 Ni2 Sb2\n1.0\n4.226631 -0.040566 -3.883597\n-0.842278 4.142055 -3.883597\n0.033473 0.040566 5.739827\nCe Ni Sb\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ce\n0.629251 0.629252 -0.000001 Ni\n0.370748 0.370749 -0.000000 Ni\n0.749999 0.250000 0.499999 Sb\n0.249999 0.750001 0.500000 Sb\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ce",
"Ni",
"Sb"
],
"chemical_system": "Ce-Ni-Sb",
"density": 8.186004589138978,
"density_atomic": 0.04919663527771288,
"volume": 101.63296680301845,
"volume_molar": 12.240960638883687,
"formula_full": "Ce1 Ni2 Sb2",
"formula_reduced": "Ce(NiSb)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.5044205000000002,
"spacegroup": 139
},
{
"id": "jvasp-114159",
"created_at": "2022-09-04T14:38:39.578947Z",
"updated_at": "2022-09-04T14:38:39.578970Z",
"structure_string": "Li2 Ag1 O2\n1.0\n-1.573685 1.820707 4.907841\n1.573685 -1.820707 4.907841\n1.573685 1.820707 -4.907841\nLi Ag O\n2 1 2\ndirect\n0.213838 0.713839 0.500001 Li\n0.786162 0.286162 0.500000 Li\n0.500000 -0.000000 0.500000 Ag\n0.654254 0.654254 0.000000 O\n0.345746 0.345746 0.000000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Li",
"Ag",
"O"
],
"chemical_system": "Ag-Li-O",
"density": 4.538925498556368,
"density_atomic": 0.0888917920146007,
"volume": 56.24816292575964,
"volume_molar": 6.774687092606759,
"formula_full": "Li2 Ag1 O2",
"formula_reduced": "Li2AgO2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.9931268519999996,
"spacegroup": 71
},
{
"id": "jvasp-114481",
"created_at": "2022-09-04T14:38:41.246917Z",
"updated_at": "2022-09-04T14:38:41.246943Z",
"structure_string": "B2 C1 Cl2\n1.0\n2.842872 0.000000 0.000000\n-1.421436 2.461999 -0.000000\n0.000000 0.000000 8.049579\nB C Cl\n2 1 2\ndirect\n0.666665 0.333333 0.394906 B\n0.333332 0.666667 0.605093 B\n0.000000 0.000000 0.500000 C\n0.666665 0.333333 0.796272 Cl\n0.333332 0.666667 0.203728 Cl\n",
"nsites": 5,
"nelements": 3,
"elements": [
"B",
"C",
"Cl"
],
"chemical_system": "B-C-Cl",
"density": 3.0811145673362548,
"density_atomic": 0.08874658680755358,
"volume": 56.3401949287635,
"volume_molar": 6.785771686137039,
"formula_full": "B2 C1 Cl2",
"formula_reduced": "B2CCl2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.3891446603333337,
"spacegroup": 164
},
{
"id": "jvasp-4993",
"created_at": "2022-09-04T14:38:35.660561Z",
"updated_at": "2022-09-04T14:38:35.660585Z",
"structure_string": "Ag4 Pb2 O4\n1.0\n5.323629 -0.312682 -3.038513\n-3.396532 5.464443 0.107919\n-0.101062 0.104980 6.433271\nAg Pb O\n4 2 4\ndirect\n0.500000 0.500000 0.000000 Ag\n0.000000 0.500000 0.500000 Ag\n0.000000 0.500000 0.000000 Ag\n0.500000 0.000000 0.000000 Ag\n0.250000 0.120922 0.379078 Pb\n0.750001 0.879077 0.620923 Pb\n0.624715 0.136469 0.750075 O\n0.375286 0.863531 0.249926 O\n0.875286 0.749925 0.363532 O\n0.124714 0.250075 0.636469 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ag",
"Pb",
"O"
],
"chemical_system": "Ag-O-Pb",
"density": 8.409434920781404,
"density_atomic": 0.055659356346251215,
"volume": 179.66431264118495,
"volume_molar": 10.819637802738631,
"formula_full": "Ag4 Pb2 O4",
"formula_reduced": "Ag2PbO2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.8349144679999996,
"spacegroup": 15
}
]
}