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=3574",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_anonymous&page=3572",
"results": [
{
"id": "jvasp-12834",
"created_at": "2022-09-04T14:37:14.713865Z",
"updated_at": "2022-09-04T14:37:14.713890Z",
"structure_string": "Tl1 Cu2 Se2\n1.0\n3.747028 0.000000 -0.992174\n-0.262717 3.737806 -0.992174\n0.021500 0.023065 7.652769\nTl Cu Se\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Tl\n0.250000 0.750001 0.500001 Cu\n0.750000 0.250001 0.500001 Cu\n0.641469 0.641470 0.282937 Se\n0.358531 0.358533 0.717064 Se\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Tl",
"Cu",
"Se"
],
"chemical_system": "Cu-Se-Tl",
"density": 7.5699369461255825,
"density_atomic": 0.04657505481728856,
"volume": 107.35360419037039,
"volume_molar": 12.929970310554726,
"formula_full": "Tl1 Cu2 Se2",
"formula_reduced": "Tl(CuSe)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.2247400466666668,
"spacegroup": 139
},
{
"id": "jvasp-29863",
"created_at": "2022-09-04T14:37:15.260495Z",
"updated_at": "2022-09-04T14:37:15.260517Z",
"structure_string": "Ni1 H2 O2\n1.0\n1.577801 2.067875 4.825770\n-1.577801 2.067875 4.825770\n0.000000 -0.637612 4.437677\nNi H O\n1 2 2\ndirect\n0.942885 0.057113 0.000002 Ni\n0.609456 0.723879 0.224407 H\n0.276119 0.390543 0.775597 H\n0.609507 0.723798 0.442794 O\n0.276200 0.390491 0.557209 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ni",
"H",
"O"
],
"chemical_system": "H-Ni-O",
"density": 3.9812847158763387,
"density_atomic": 0.12930834600894262,
"volume": 38.66726436709827,
"volume_molar": 4.6571941764559615,
"formula_full": "Ni1 H2 O2",
"formula_reduced": "Ni(HO)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.17120788,
"spacegroup": 164
},
{
"id": "jvasp-36094",
"created_at": "2022-09-04T14:37:30.691523Z",
"updated_at": "2022-09-04T14:37:30.691546Z",
"structure_string": "Ce2 Cu4 Sb4\n1.0\n4.703366 0.000000 0.000000\n0.000000 4.703366 0.000000\n0.000000 -0.000000 9.902674\nCe Cu Sb\n2 4 4\ndirect\n0.000000 0.500000 0.759007 Ce\n0.500000 0.000000 0.240993 Ce\n0.500000 0.500000 0.000000 Cu\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.378265 Cu\n0.500000 0.000000 0.621734 Cu\n0.000000 0.500000 0.126404 Sb\n0.500000 0.000000 0.873595 Sb\n0.500000 0.500000 0.500000 Sb\n0.000000 0.000000 0.500000 Sb\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ce",
"Cu",
"Sb"
],
"chemical_system": "Ce-Cu-Sb",
"density": 7.7428122476882315,
"density_atomic": 0.04564886324026122,
"volume": 219.06350542329028,
"volume_molar": 13.192312650380774,
"formula_full": "Ce2 Cu4 Sb4",
"formula_reduced": "Ce(CuSb)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.89315372,
"spacegroup": 129
},
{
"id": "jvasp-85160",
"created_at": "2022-09-04T14:37:14.602832Z",
"updated_at": "2022-09-04T14:37:14.602847Z",
"structure_string": "Ho1 Cu2 S2\n1.0\n3.962842 0.001859 -0.012778\n-1.979812 3.432852 0.012778\n-0.021102 0.012183 6.302245\nHo Cu S\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ho\n0.664184 0.335815 0.673031 Cu\n0.335816 0.664184 0.326970 Cu\n0.668396 0.331604 0.265301 S\n0.331604 0.668396 0.734700 S\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ho",
"Cu",
"S"
],
"chemical_system": "Cu-Ho-S",
"density": 6.896306072380876,
"density_atomic": 0.05830444387709231,
"volume": 85.75675656113219,
"volume_molar": 10.328785182643834,
"formula_full": "Ho1 Cu2 S2",
"formula_reduced": "Ho(CuS)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.7514392933333331,
"spacegroup": 164
},
{
"id": "jvasp-85125",
"created_at": "2022-09-04T14:37:16.454384Z",
"updated_at": "2022-09-04T14:37:16.454398Z",
"structure_string": "Ba1 Fe2 As2\n1.0\n3.804604 0.000000 -1.106044\n-0.321541 3.790993 -1.106044\n-0.053741 -0.058492 6.911760\nBa Fe As\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.250000 0.750000 0.500001 Fe\n0.749999 0.250000 0.500001 Fe\n0.346203 0.346203 0.692406 As\n0.653797 0.653797 0.307595 As\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"Fe",
"As"
],
"chemical_system": "As-Ba-Fe",
"density": 6.676803562634035,
"density_atomic": 0.05040444107352261,
"volume": 99.19760825651717,
"volume_molar": 11.947639199521694,
"formula_full": "Ba1 Fe2 As2",
"formula_reduced": "Ba(FeAs)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.280262094,
"spacegroup": 139
},
{
"id": "jvasp-54998",
"created_at": "2022-09-04T14:37:29.804795Z",
"updated_at": "2022-09-04T14:37:29.804825Z",
"structure_string": "Np1 Si2 Ni2\n1.0\n3.658415 0.000000 -1.404295\n-0.539043 3.618486 -1.404295\n0.021146 0.024530 5.522618\nNp Si Ni\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Np\n0.377750 0.377749 0.755495 Si\n0.622254 0.622253 0.244504 Si\n0.750002 0.250000 0.500000 Ni\n0.250002 0.750001 0.500000 Ni\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Np",
"Si",
"Ni"
],
"chemical_system": "Ni-Np-Si",
"density": 9.293169545999378,
"density_atomic": 0.06815699900463928,
"volume": 73.36003745792361,
"volume_molar": 8.835689434609773,
"formula_full": "Np1 Si2 Ni2",
"formula_reduced": "Np(SiNi)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.2089343999999995,
"spacegroup": 139
},
{
"id": "jvasp-10878",
"created_at": "2022-09-04T14:37:15.472324Z",
"updated_at": "2022-09-04T14:37:15.472350Z",
"structure_string": "Ca2 Be4 N4\n1.0\n4.702403 0.016761 -2.249613\n-2.839549 4.312935 -0.713569\n0.011035 -0.016761 5.212795\nCa Be N\n2 4 4\ndirect\n0.000001 0.750001 0.750000 Ca\n0.000000 0.250000 0.250000 Ca\n0.751982 0.125991 0.625991 Be\n0.500001 0.625992 0.874009 Be\n0.248019 0.874010 0.374009 Be\n0.500000 0.374009 0.125991 Be\n0.500000 0.169531 0.330470 N\n0.839062 0.669531 0.169531 N\n0.160939 0.330470 0.830469 N\n0.500001 0.830471 0.669530 N\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ca",
"Be",
"N"
],
"chemical_system": "Be-Ca-N",
"density": 2.7002966939291952,
"density_atomic": 0.0944168990373464,
"volume": 105.91324330663011,
"volume_molar": 6.378244595406543,
"formula_full": "Ca2 Be4 N4",
"formula_reduced": "Ca(BeN)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.619939824,
"spacegroup": 140
},
{
"id": "jvasp-51929",
"created_at": "2022-09-04T14:37:30.033877Z",
"updated_at": "2022-09-04T14:37:30.033892Z",
"structure_string": "Hf4 Ni4 Sn2\n1.0\n7.070241 0.000000 0.000000\n0.000000 7.070241 -0.000000\n0.000000 -0.000000 3.380610\nHf Ni Sn\n4 4 2\ndirect\n0.665923 0.165923 0.500000 Hf\n0.334077 0.834077 0.500000 Hf\n0.834077 0.665923 0.500000 Hf\n0.165923 0.334077 0.500000 Hf\n0.625895 0.874105 0.000000 Ni\n0.125895 0.625895 0.000000 Ni\n0.874105 0.374105 0.000000 Ni\n0.374105 0.125895 0.000000 Ni\n0.500000 0.500000 0.000000 Sn\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Hf",
"Ni",
"Sn"
],
"chemical_system": "Hf-Ni-Sn",
"density": 11.655382262120089,
"density_atomic": 0.05917475832670462,
"volume": 168.9909732252706,
"volume_molar": 10.17687427931971,
"formula_full": "Hf4 Ni4 Sn2",
"formula_reduced": "Hf2Ni2Sn",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.7512925,
"spacegroup": 127
},
{
"id": "jvasp-56523",
"created_at": "2022-09-04T14:37:34.023764Z",
"updated_at": "2022-09-04T14:37:34.023794Z",
"structure_string": "Ba4 Al8 Ge8\n1.0\n4.315003 0.000000 0.000000\n-0.000000 10.288694 0.000000\n0.000000 0.000000 11.079972\nBa Al Ge\n4 8 8\ndirect\n0.749999 0.251704 0.675316 Ba\n0.749999 0.751704 0.824684 Ba\n0.250000 0.748295 0.324684 Ba\n0.250000 0.248295 0.175316 Ba\n0.250000 0.101072 0.452799 Al\n0.749999 0.957457 0.118663 Al\n0.250000 0.601071 0.047201 Al\n0.250000 0.542543 0.618663 Al\n0.749999 0.457457 0.381337 Al\n0.749999 0.898928 0.547201 Al\n0.250000 0.042543 0.881337 Al\n0.749999 0.398928 0.952799 Al\n0.250000 0.975520 0.656737 Ge\n0.250000 0.353817 0.459838 Ge\n0.749999 0.646182 0.540161 Ge\n0.250000 0.475520 0.843262 Ge\n0.749999 0.524480 0.156737 Ge\n0.749999 0.024480 0.343263 Ge\n0.250000 0.853817 0.040161 Ge\n0.749999 0.146182 0.959838 Ge\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ba",
"Al",
"Ge"
],
"chemical_system": "Al-Ba-Ge",
"density": 4.544693250939024,
"density_atomic": 0.04065837151258626,
"volume": 491.9036167941152,
"volume_molar": 14.811564103436309,
"formula_full": "Ba4 Al8 Ge8",
"formula_reduced": "Ba(AlGe)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.9106006940000002,
"spacegroup": 62
},
{
"id": "jvasp-10229",
"created_at": "2022-09-04T14:37:09.833359Z",
"updated_at": "2022-09-04T14:37:09.833385Z",
"structure_string": "Na4 Zn2 S4\n1.0\n5.357650 -0.000000 -2.477066\n-1.345240 5.557925 -2.909623\n0.016884 0.001447 7.069088\nNa Zn S\n4 2 4\ndirect\n0.141681 0.490033 0.283362 Na\n0.858318 0.509967 0.716637 Na\n0.358318 0.206671 0.716638 Na\n0.641681 0.793329 0.283362 Na\n0.250000 0.000000 -0.000000 Zn\n0.750000 0.000000 -0.000000 Zn\n0.612663 0.328634 0.225327 S\n0.387336 0.671366 0.774672 S\n0.887336 0.103307 0.774672 S\n0.112663 0.896693 0.225327 S\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Na",
"Zn",
"S"
],
"chemical_system": "Na-S-Zn",
"density": 2.7657692500891975,
"density_atomic": 0.04744755703905029,
"volume": 210.75900687088694,
"volume_molar": 12.692204058142883,
"formula_full": "Na4 Zn2 S4",
"formula_reduced": "Na2ZnS2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.00134,
"spacegroup": 72
},
{
"id": "jvasp-105564",
"created_at": "2022-09-04T14:37:16.336622Z",
"updated_at": "2022-09-04T14:37:16.336649Z",
"structure_string": "Ca4 Pb2 N4\n1.0\n3.567131 0.000000 0.000000\n0.000000 3.571601 0.000000\n-0.000000 -0.000000 13.965414\nCa Pb N\n4 2 4\ndirect\n0.750000 0.751770 0.080531 Ca\n0.750000 0.751770 0.419469 Ca\n0.250000 0.248230 0.919469 Ca\n0.250000 0.248230 0.580531 Ca\n0.750000 0.643884 0.750000 Pb\n0.250000 0.356116 0.250000 Pb\n0.750000 0.773851 0.590748 N\n0.750000 0.773851 0.909251 N\n0.250000 0.226149 0.409252 N\n0.250000 0.226149 0.090748 N\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ca",
"Pb",
"N"
],
"chemical_system": "Ca-N-Pb",
"density": 5.886577086380665,
"density_atomic": 0.05620360729516836,
"volume": 177.92452266421816,
"volume_molar": 10.714865201397318,
"formula_full": "Ca4 Pb2 N4",
"formula_reduced": "Ca2PbN2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.942819632,
"spacegroup": 59
},
{
"id": "jvasp-60063",
"created_at": "2022-09-04T14:37:33.242186Z",
"updated_at": "2022-09-04T14:37:33.242204Z",
"structure_string": "Si16 N16 O8\n1.0\n5.360716 0.000000 -1.226025\n-0.280399 5.353377 -1.226025\n-0.002899 -0.003054 12.320029\nSi N O\n16 16 8\ndirect\n0.000000 0.000000 0.000000 Si\n0.500000 0.000000 0.500000 Si\n0.500000 -0.000000 -0.000000 Si\n0.956112 0.206112 0.412222 Si\n0.706112 0.456113 0.912222 Si\n0.043888 0.793889 0.587777 Si\n0.293888 0.543889 0.087777 Si\n0.331890 0.332104 0.664206 Si\n0.832104 0.831890 0.164206 Si\n0.832104 0.332318 0.164206 Si\n0.167682 0.667897 0.335793 Si\n0.668111 0.667897 0.335793 Si\n0.167897 0.667683 0.835793 Si\n0.167897 0.168111 0.835793 Si\n0.832318 0.332104 0.664206 Si\n0.500000 0.500001 0.500000 Si\n0.262426 0.749396 0.498790 N\n0.087201 0.573880 0.674402 N\n0.249396 0.762427 0.998790 N\n0.399477 0.412800 0.825597 N\n0.249396 0.236366 0.998790 N\n0.263635 0.250605 0.501209 N\n0.736366 0.749396 0.498790 N\n0.750605 0.763635 0.001209 N\n0.912799 0.899478 0.325597 N\n0.912799 0.426121 0.325597 N\n0.073879 0.587202 0.174402 N\n0.600523 0.587202 0.174402 N\n0.750605 0.237574 0.001209 N\n0.087201 0.100524 0.674403 N\n0.926121 0.412800 0.825597 N\n0.737574 0.250605 0.501209 N\n0.576535 0.541464 0.653068 O\n0.958537 0.923467 0.846931 O\n0.423466 0.458537 0.346931 O\n0.423466 0.888396 0.346931 O\n0.611606 0.076534 0.153068 O\n0.576535 0.111606 0.653068 O\n0.041463 0.076534 0.153069 O\n0.388395 0.923467 0.846931 O\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Si",
"N",
"O"
],
"chemical_system": "N-O-Si",
"density": 3.764640814994613,
"density_atomic": 0.11314801847490992,
"volume": 353.51922675402244,
"volume_molar": 5.322356362197702,
"formula_full": "Si16 N16 O8",
"formula_reduced": "Si2N2O",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.73209344,
"spacegroup": 141
}
]
}