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=3580",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_anonymous&page=3578",
"results": [
{
"id": "jvasp-12922",
"created_at": "2022-09-04T14:37:08.690948Z",
"updated_at": "2022-09-04T14:37:08.690968Z",
"structure_string": "Cd2 H4 O4\n1.0\n3.310701 0.114443 -0.987603\n-0.798034 5.029592 -2.669695\n-0.054937 -0.090852 6.143742\nCd H O\n2 4 4\ndirect\n0.849786 0.875410 0.690495 Cd\n0.159267 0.184921 0.309503 Cd\n0.149414 0.651470 0.273850 H\n0.875530 0.377624 0.726144 H\n0.358154 0.705344 0.000001 H\n0.505890 0.310228 -0.000003 H\n0.790997 0.198037 0.566600 O\n0.224419 0.631437 0.433404 O\n0.074039 0.712652 0.000009 O\n0.515504 0.139875 -0.000000 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Cd",
"H",
"O"
],
"chemical_system": "Cd-H-O",
"density": 4.780083550292653,
"density_atomic": 0.09829674683556476,
"volume": 101.7327665657995,
"volume_molar": 6.126490401634664,
"formula_full": "Cd2 H4 O4",
"formula_reduced": "Cd(HO)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.5002493500000005,
"spacegroup": 8
},
{
"id": "jvasp-56987",
"created_at": "2022-09-04T14:37:06.163550Z",
"updated_at": "2022-09-04T14:37:06.163578Z",
"structure_string": "Nd1 P2 Ru2\n1.0\n3.815160 -0.000000 -1.446577\n-0.548493 3.775527 -1.446577\n0.022419 0.025912 5.813413\nNd P Ru\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.367582 0.367582 0.735163 P\n0.632418 0.632418 0.264835 P\n0.750000 0.250000 0.499999 Ru\n0.250001 0.750000 0.500000 Ru\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Nd",
"P",
"Ru"
],
"chemical_system": "Nd-P-Ru",
"density": 8.069702903195243,
"density_atomic": 0.05950694712833996,
"volume": 84.02380295558413,
"volume_molar": 10.120063371780631,
"formula_full": "Nd1 P2 Ru2",
"formula_reduced": "Nd(PRu)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.3393147,
"spacegroup": 139
},
{
"id": "jvasp-29339",
"created_at": "2022-09-04T14:37:05.740678Z",
"updated_at": "2022-09-04T14:37:05.740699Z",
"structure_string": "Nb2 Se4 Br4\n1.0\n6.233294 0.000503 2.500822\n2.587680 5.731136 2.561664\n0.033479 0.011220 7.430995\nNb Se Br\n2 4 4\ndirect\n0.875270 0.251966 0.999500 Nb\n0.124730 0.748034 0.000498 Nb\n0.741148 0.039071 0.863814 Se\n0.258852 0.960929 0.136184 Se\n0.081364 0.092074 0.669820 Se\n0.918636 0.907926 0.330179 Se\n0.582707 0.649534 0.769239 Br\n0.417293 0.350466 0.230760 Br\n0.828399 0.521721 0.229963 Br\n0.171600 0.478279 0.770036 Br\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Nb",
"Se",
"Br"
],
"chemical_system": "Br-Nb-Se",
"density": 5.1487911492424825,
"density_atomic": 0.037754687095726935,
"volume": 264.8677758776021,
"volume_molar": 15.950710291230525,
"formula_full": "Nb2 Se4 Br4",
"formula_reduced": "Nb(SeBr)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.5720768686666664,
"spacegroup": 2
},
{
"id": "jvasp-29799",
"created_at": "2022-09-04T14:37:27.992598Z",
"updated_at": "2022-09-04T14:37:27.992625Z",
"structure_string": "Zn1 H2 O2\n1.0\n3.225037 -0.000007 -0.000003\n-1.612524 2.792966 -0.000000\n0.000003 0.000001 4.581949\nZn H O\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Zn\n0.666667 0.333333 0.558687 H\n0.333335 0.666667 0.441314 H\n0.666667 0.333333 0.772080 O\n0.333334 0.666667 0.227921 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Zn",
"H",
"O"
],
"chemical_system": "H-O-Zn",
"density": 4.000266029484739,
"density_atomic": 0.12114903167599739,
"volume": 41.27148133855554,
"volume_molar": 4.9708533998898945,
"formula_full": "Zn1 H2 O2",
"formula_reduced": "Zn(HO)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.5476254799999996,
"spacegroup": 164
},
{
"id": "jvasp-50131",
"created_at": "2022-09-04T14:37:06.309069Z",
"updated_at": "2022-09-04T14:37:06.309089Z",
"structure_string": "Ba2 Na4 O4\n1.0\n3.790122 0.000000 0.000000\n-1.895061 7.238825 0.000000\n0.000000 0.000000 6.241157\nBa Na O\n2 4 4\ndirect\n0.197323 0.394646 0.030581 Ba\n0.802676 0.605353 0.530581 Ba\n0.038433 0.076866 0.681447 Na\n0.417867 0.835733 0.868857 Na\n0.961566 0.923134 0.181447 Na\n0.582133 0.164266 0.368857 Na\n0.170137 0.340275 0.447944 O\n0.433932 0.867863 0.486062 O\n0.566068 0.132136 0.986063 O\n0.829863 0.659724 0.947944 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ba",
"Na",
"O"
],
"chemical_system": "Ba-Na-O",
"density": 4.175875255153761,
"density_atomic": 0.05840010461333583,
"volume": 171.23256997927487,
"volume_molar": 10.311866391117437,
"formula_full": "Ba2 Na4 O4",
"formula_reduced": "BaNa2O2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.3152707500000001,
"spacegroup": 36
},
{
"id": "jvasp-29800",
"created_at": "2022-09-04T14:37:28.048291Z",
"updated_at": "2022-09-04T14:37:28.048320Z",
"structure_string": "Zn1 H2 O2\n1.0\n3.224840 -0.000621 -0.001232\n-1.612957 2.793724 0.000000\n-0.000505 -0.000292 4.583025\nZn H O\n1 2 2\ndirect\n-0.000000 0.072095 -0.000000 Zn\n0.666434 0.405246 0.558795 H\n0.333563 0.738810 0.441207 H\n0.666510 0.405344 0.772137 O\n0.333487 0.738831 0.227864 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Zn",
"H",
"O"
],
"chemical_system": "H-O-Zn",
"density": 3.9989257983549544,
"density_atomic": 0.12110844244958126,
"volume": 41.285313384172646,
"volume_molar": 4.972519370403993,
"formula_full": "Zn1 H2 O2",
"formula_reduced": "Zn(HO)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.5475954799999996,
"spacegroup": 164
},
{
"id": "jvasp-49819",
"created_at": "2022-09-04T14:37:06.078247Z",
"updated_at": "2022-09-04T14:37:06.078264Z",
"structure_string": "Tm2 Se1 O2\n1.0\n0.000000 3.765013 -0.000000\n1.882506 -1.882506 5.935757\n3.765013 0.000000 0.000000\nTm Se O\n2 1 2\ndirect\n0.656725 0.313452 0.343274 Tm\n0.343273 0.686549 0.656726 Tm\n0.000000 0.000000 0.000000 Se\n0.249999 0.500000 0.250000 O\n0.749999 0.500000 0.750000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Tm",
"Se",
"O"
],
"chemical_system": "O-Se-Tm",
"density": 8.857664195052527,
"density_atomic": 0.05942386984222159,
"volume": 84.14127207258088,
"volume_molar": 10.13421168293078,
"formula_full": "Tm2 Se1 O2",
"formula_reduced": "Tm2SeO2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.235149773333333,
"spacegroup": 139
},
{
"id": "jvasp-50909",
"created_at": "2022-09-04T14:37:14.183531Z",
"updated_at": "2022-09-04T14:37:14.183559Z",
"structure_string": "Li4 Cu2 S4\n1.0\n5.530687 0.016785 0.005750\n-0.016471 5.530597 0.005296\n-0.010353 -0.009722 5.802619\nLi Cu S\n4 2 4\ndirect\n0.497726 0.497308 0.237402 Li\n0.997367 0.997692 0.237402 Li\n0.496835 0.497277 0.737451 Li\n0.997338 0.996755 0.737450 Li\n0.497387 -0.002672 0.737261 Cu\n0.497394 -0.002667 0.237482 Cu\n0.730630 0.230572 0.487720 S\n0.730450 0.764113 0.987409 S\n0.264170 0.230390 0.987393 S\n0.264098 0.764041 0.487084 S\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Li",
"Cu",
"S"
],
"chemical_system": "Cu-Li-S",
"density": 2.648700985466305,
"density_atomic": 0.056340334601863114,
"volume": 177.49273359248582,
"volume_molar": 10.688862255711301,
"formula_full": "Li4 Cu2 S4",
"formula_reduced": "Li2CuS2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.8367740899999999,
"spacegroup": 132
},
{
"id": "jvasp-56937",
"created_at": "2022-09-04T14:37:29.571215Z",
"updated_at": "2022-09-04T14:37:29.571248Z",
"structure_string": "Pr1 Ni2 Sn2\n1.0\n4.129207 0.000000 -1.654163\n-0.662658 4.075688 -1.654163\n0.050560 0.059445 6.107064\nPr Ni Sn\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Pr\n0.750001 0.250001 0.500000 Ni\n0.250000 0.750001 0.500000 Ni\n0.362751 0.362751 0.725501 Sn\n0.637250 0.637250 0.274500 Sn\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Pr",
"Ni",
"Sn"
],
"chemical_system": "Ni-Pr-Sn",
"density": 7.946258601838478,
"density_atomic": 0.04826719075081356,
"volume": 103.59003543034507,
"volume_molar": 12.476675493898504,
"formula_full": "Pr1 Ni2 Sn2",
"formula_reduced": "Pr(NiSn)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.8797816100000002,
"spacegroup": 139
},
{
"id": "jvasp-56446",
"created_at": "2022-09-04T14:37:28.671458Z",
"updated_at": "2022-09-04T14:37:28.671479Z",
"structure_string": "Ba1 Zn2 As2\n1.0\n3.991188 0.000000 -1.158880\n-0.336492 3.976979 -1.158880\n-0.011189 -0.012176 7.413744\nBa Zn As\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.250000 0.750000 0.500000 Zn\n0.750000 0.250000 0.500000 Zn\n0.635609 0.635608 0.271215 As\n0.364392 0.364391 0.728784 As\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"Zn",
"As"
],
"chemical_system": "As-Ba-Zn",
"density": 5.903858387658954,
"density_atomic": 0.042529748746346824,
"volume": 117.56476695455402,
"volume_molar": 14.159831500338415,
"formula_full": "Ba1 Zn2 As2",
"formula_reduced": "Ba(ZnAs)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.126270054,
"spacegroup": 139
},
{
"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-7928",
"created_at": "2022-09-04T14:37:08.563065Z",
"updated_at": "2022-09-04T14:37:08.563090Z",
"structure_string": "Dy1 Cr2 Si2\n1.0\n3.639846 -0.000000 -1.255555\n-0.433100 3.613987 -1.255555\n0.037098 0.041809 6.011272\nDy Cr Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Dy\n0.250001 0.750001 0.499999 Cr\n0.750001 0.250000 0.499999 Cr\n0.384491 0.384491 0.768979 Si\n0.615510 0.615510 0.231020 Si\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Dy",
"Cr",
"Si"
],
"chemical_system": "Cr-Dy-Si",
"density": 6.743243287483974,
"density_atomic": 0.06292747401963898,
"volume": 79.45655022541591,
"volume_molar": 9.569970595229286,
"formula_full": "Dy1 Cr2 Si2",
"formula_reduced": "Dy(CrSi)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.5975977,
"spacegroup": 139
}
]
}