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=-volume&page=1149",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=1147",
"results": [
{
"id": "jvasp-12955",
"created_at": "2022-09-04T14:36:43.023134Z",
"updated_at": "2022-09-04T14:36:43.023156Z",
"structure_string": "Sr5 Au2 O8\n1.0\n5.732194 0.000000 3.179943\n2.866096 5.911963 1.589971\n-0.001947 -0.000000 6.759934\nSr Au O\n5 2 8\ndirect\n0.527720 0.500000 0.944558 Sr\n0.972279 0.500000 0.055441 Sr\n0.972247 0.055506 0.500000 Sr\n0.527753 0.944494 0.499999 Sr\n0.250000 0.500000 0.500000 Sr\n0.500000 -0.000000 -0.000000 Au\n0.000000 0.000000 0.000000 Au\n0.756226 0.755439 0.755449 O\n0.267116 0.244560 0.244550 O\n0.488335 0.755439 0.244549 O\n0.488323 0.244560 0.755450 O\n0.011653 0.244560 0.755449 O\n0.011665 0.755439 0.244550 O\n0.743786 0.244560 0.244550 O\n0.232896 0.755439 0.755449 O\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Sr",
"Au",
"O"
],
"chemical_system": "Au-O-Sr",
"density": 6.957748411709753,
"density_atomic": 0.06546766173030795,
"volume": 229.12075372100574,
"volume_molar": 9.198649532967936,
"formula_full": "Sr5 Au2 O8",
"formula_reduced": "Sr5(AuO4)2",
"formula_anonymous": "A2B5C8",
"energy_above_hull": 1.2854423126666663,
"spacegroup": 139
},
{
"id": "jvasp-103115",
"created_at": "2022-09-04T14:36:45.458534Z",
"updated_at": "2022-09-04T14:36:45.458569Z",
"structure_string": "Cd1 Ag2 Sn1 Se4\n1.0\n4.291149 0.000000 0.000000\n0.000000 7.098830 -0.028998\n0.000000 -0.034872 7.521500\nCd Ag Sn Se\n1 2 1 4\ndirect\n0.000000 0.107648 0.825184 Cd\n0.500000 0.131278 0.325699 Ag\n0.500000 0.646881 0.692032 Ag\n0.000000 0.631370 0.158730 Sn\n0.500000 0.505344 0.341571 Se\n0.000000 0.494033 0.841074 Se\n0.500000 0.009420 0.651542 Se\n0.000000 0.994427 0.164165 Se\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Cd",
"Ag",
"Sn",
"Se"
],
"chemical_system": "Ag-Cd-Se-Sn",
"density": 5.527703730458633,
"density_atomic": 0.034916715285409725,
"volume": 229.11662608031386,
"volume_molar": 17.247157158899217,
"formula_full": "Cd1 Ag2 Sn1 Se4",
"formula_reduced": "CdAg2SnSe4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 0.4834724295833332,
"spacegroup": 6
},
{
"id": "jvasp-65220",
"created_at": "2022-09-04T14:35:42.950666Z",
"updated_at": "2022-09-04T14:35:42.950694Z",
"structure_string": "K4 Be1 Sb1\n1.0\n0.000000 4.856689 4.856689\n4.856689 -0.000000 4.856689\n4.856689 4.856689 0.000000\nK Be Sb\n4 1 1\ndirect\n0.128642 0.623787 0.623787 K\n0.623787 0.623787 0.623787 K\n0.623787 0.128642 0.623787 K\n0.623787 0.623787 0.128642 K\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 Sb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"K",
"Be",
"Sb"
],
"chemical_system": "Be-K-Sb",
"density": 2.0812790063817967,
"density_atomic": 0.026187881814240786,
"volume": 229.11360462674924,
"volume_molar": 22.995906284887855,
"formula_full": "K4 Be1 Sb1",
"formula_reduced": "K4BeSb",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0284923666666667,
"spacegroup": 216
},
{
"id": "jvasp-100148",
"created_at": "2022-09-04T14:36:46.818847Z",
"updated_at": "2022-09-04T14:36:46.818872Z",
"structure_string": "As2 Pb6\n1.0\n6.798449 -0.000000 -0.000000\n-3.399225 5.887629 0.000000\n-0.000000 -0.000000 5.723904\nAs Pb\n2 6\ndirect\n0.333334 0.666667 0.749999 As\n0.666667 0.333333 0.250000 As\n0.170358 0.340714 0.250000 Pb\n0.659287 0.829643 0.250000 Pb\n0.170358 0.829643 0.250000 Pb\n0.829643 0.659287 0.749999 Pb\n0.340714 0.170357 0.749999 Pb\n0.829643 0.170357 0.749999 Pb\n",
"nsites": 8,
"nelements": 2,
"elements": [
"As",
"Pb"
],
"chemical_system": "As-Pb",
"density": 10.096504917073574,
"density_atomic": 0.03491783962803811,
"volume": 229.109248602431,
"volume_molar": 17.24660180627091,
"formula_full": "As2 Pb6",
"formula_reduced": "AsPb3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.7910435525,
"spacegroup": 194
},
{
"id": "jvasp-113185",
"created_at": "2022-09-04T14:38:45.031666Z",
"updated_at": "2022-09-04T14:38:45.031690Z",
"structure_string": "Ni4 P4 O14\n1.0\n4.466213 0.006699 0.000000\n-0.669946 5.181965 0.000000\n-0.000000 -0.000000 9.896799\nNi P O\n4 4 14\ndirect\n0.099281 0.420746 0.656788 Ni\n0.099281 0.920747 0.843212 Ni\n0.900717 0.579255 0.343212 Ni\n0.900718 0.079254 0.156788 Ni\n0.355486 0.157246 0.387792 P\n0.644513 0.342754 0.887792 P\n0.355486 0.657247 0.112208 P\n0.644513 0.842755 0.612208 P\n0.785225 0.123329 0.957470 O\n0.785224 0.623330 0.542530 O\n0.614776 0.260061 0.292670 O\n0.614775 0.760061 0.207330 O\n0.385223 0.239940 0.792670 O\n0.385223 0.739940 0.707330 O\n0.112570 0.961937 0.322255 O\n0.112571 0.461936 0.177745 O\n0.887428 0.038064 0.677745 O\n0.214774 0.376671 0.457470 O\n0.500000 0.000000 0.500000 O\n0.499999 0.500001 -0.000000 O\n0.887428 0.538065 0.822255 O\n0.214774 0.876672 0.042530 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Ni",
"P",
"O"
],
"chemical_system": "Ni-O-P",
"density": 4.2232969736263515,
"density_atomic": 0.09603063822117486,
"volume": 229.0935518863289,
"volume_molar": 6.271061893944711,
"formula_full": "Ni4 P4 O14",
"formula_reduced": "Ni2P2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 2.5816045727272723,
"spacegroup": 14
},
{
"id": "jvasp-111645",
"created_at": "2022-09-04T14:38:50.613783Z",
"updated_at": "2022-09-04T14:38:50.613808Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n10.188625 -0.095403 0.868763\n-9.104659 4.574097 0.868763\n-0.032130 -0.132755 4.956593\nLi Mn Co O\n8 2 4 14\ndirect\n0.858222 0.141779 0.499999 Li\n0.286137 0.713864 0.499999 Li\n0.713864 0.286137 0.499999 Li\n0.141779 0.858221 0.499999 Li\n0.568415 0.431585 0.499999 Li\n-0.000000 -0.000001 0.500000 Li\n0.431585 0.568415 0.499999 Li\n0.500001 0.500001 -0.000001 Li\n0.928835 0.071167 -0.000001 Mn\n0.071167 0.928834 -0.000001 Mn\n0.214209 0.785792 -0.000001 Co\n0.642460 0.357542 -0.000001 Co\n0.357542 0.642459 -0.000001 Co\n0.785793 0.214209 -0.000001 Co\n0.221471 0.221471 0.768972 O\n0.613596 0.899194 0.221919 O\n0.046457 0.476156 0.216919 O\n0.476156 0.046457 0.216919 O\n0.899194 0.613596 0.221919 O\n0.321884 0.170379 0.226371 O\n0.778530 0.778530 0.231026 O\n0.170379 0.321884 0.226372 O\n0.100806 0.386404 0.778079 O\n0.523845 0.953544 0.783079 O\n0.953544 0.523845 0.783079 O\n0.386405 0.100806 0.778079 O\n0.829622 0.678117 0.773626 O\n0.678117 0.829622 0.773626 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.53206018778771,
"density_atomic": 0.12224618773262386,
"volume": 229.04599741990674,
"volume_molar": 4.9262401320616975,
"formula_full": "Li8 Mn2 Co4 O14",
"formula_reduced": "Li4MnCo2O7",
"formula_anonymous": "AB2C4D7",
"energy_above_hull": 2.5544738243842366,
"spacegroup": 12
},
{
"id": "jvasp-44224",
"created_at": "2022-09-04T14:38:08.066788Z",
"updated_at": "2022-09-04T14:38:08.066810Z",
"structure_string": "Cr4 O12\n1.0\n5.101324 0.000000 0.000000\n0.000000 5.654633 0.000000\n0.000000 0.000000 7.940245\nCr O\n4 12\ndirect\n0.561032 0.262295 0.311287 Cr\n0.061032 0.237705 0.811288 Cr\n0.938967 0.762295 0.311287 Cr\n0.438967 0.737705 0.811288 Cr\n0.879894 0.202454 0.649961 O\n0.311101 0.028451 0.811287 O\n0.379895 0.297546 0.472614 O\n0.879894 0.202453 0.972614 O\n0.811101 0.471548 0.311287 O\n0.379895 0.297546 0.149960 O\n0.620105 0.702453 0.649961 O\n0.188899 0.528451 0.811287 O\n0.120105 0.797546 0.472614 O\n0.620105 0.702453 0.972614 O\n0.688898 0.971548 0.311287 O\n0.120105 0.797546 0.149960 O\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Cr",
"O"
],
"chemical_system": "Cr-O",
"density": 2.899766973568378,
"density_atomic": 0.0698552013147259,
"volume": 229.0452206688738,
"volume_molar": 8.620890995457621,
"formula_full": "Cr4 O12",
"formula_reduced": "CrO3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.5788144750000006,
"spacegroup": 62
},
{
"id": "jvasp-85563",
"created_at": "2022-09-04T14:37:52.400235Z",
"updated_at": "2022-09-04T14:37:52.400254Z",
"structure_string": "W4 O12\n1.0\n3.902838 -0.000000 -0.012153\n0.000000 7.518001 0.000000\n0.063268 -0.000000 7.805565\nW O\n4 12\ndirect\n0.061197 0.250000 0.030580 W\n0.938803 0.750000 0.469420 W\n0.938806 0.750000 0.969419 W\n0.061199 0.250000 0.530580 W\n0.000000 0.500001 0.499999 O\n0.000000 0.000001 0.000000 O\n0.000000 -0.000001 0.499999 O\n0.000000 0.499999 0.000000 O\n0.481435 0.750000 0.988898 O\n0.977724 0.750000 0.240740 O\n0.518563 0.250000 0.511102 O\n0.481439 0.750000 0.488898 O\n0.022277 0.250000 0.259261 O\n0.977724 0.750000 0.740738 O\n0.022278 0.250000 0.759261 O\n0.518564 0.250000 0.011102 O\n",
"nsites": 16,
"nelements": 2,
"elements": [
"W",
"O"
],
"chemical_system": "O-W",
"density": 6.7235072134791665,
"density_atomic": 0.06985890479556753,
"volume": 229.03307812829013,
"volume_molar": 8.620433969904003,
"formula_full": "W4 O12",
"formula_reduced": "WO3",
"formula_anonymous": "AB3",
"energy_above_hull": 3.213232625,
"spacegroup": 63
},
{
"id": "jvasp-64039",
"created_at": "2022-09-04T14:36:12.414707Z",
"updated_at": "2022-09-04T14:36:12.414729Z",
"structure_string": "Ba4 Cu1 P1\n1.0\n0.000000 4.856080 4.856080\n4.856080 -0.000000 4.856080\n4.856080 4.856080 0.000000\nBa Cu P\n4 1 1\ndirect\n0.121599 0.626134 0.626134 Ba\n0.626134 0.626134 0.626134 Ba\n0.626134 0.121599 0.626134 Ba\n0.626134 0.626134 0.121599 Ba\n0.250000 0.250000 0.250000 Cu\n0.000000 0.000000 0.000000 P\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Cu",
"P"
],
"chemical_system": "Ba-Cu-P",
"density": 4.668004898358793,
"density_atomic": 0.026197735700624395,
"volume": 229.02742697175148,
"volume_molar": 22.9872567187418,
"formula_full": "Ba4 Cu1 P1",
"formula_reduced": "Ba4CuP",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.3781899716666666,
"spacegroup": 216
},
{
"id": "jvasp-66302",
"created_at": "2022-09-04T14:36:02.559859Z",
"updated_at": "2022-09-04T14:36:02.559873Z",
"structure_string": "Ba4 Ni1 Mo1\n1.0\n0.000000 4.856076 4.856076\n4.856076 -0.000000 4.856076\n4.856076 4.856076 -0.000000\nBa Ni Mo\n4 1 1\ndirect\n0.124174 0.625276 0.625276 Ba\n0.625276 0.625276 0.625276 Ba\n0.625276 0.124174 0.625276 Ba\n0.625276 0.625276 0.124174 Ba\n0.000000 0.000000 0.000000 Ni\n0.250000 0.250000 0.250000 Mo\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ni",
"Mo"
],
"chemical_system": "Ba-Mo-Ni",
"density": 5.103865066796305,
"density_atomic": 0.026197800438714863,
"volume": 229.02686101590638,
"volume_molar": 22.987199914312413,
"formula_full": "Ba4 Ni1 Mo1",
"formula_reduced": "Ba4NiMo",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.345520363333333,
"spacegroup": 216
},
{
"id": "jvasp-4140",
"created_at": "2022-09-04T14:36:52.720591Z",
"updated_at": "2022-09-04T14:36:52.720612Z",
"structure_string": "Ga2 Cl6\n1.0\n5.928761 -0.000000 3.375131\n2.036331 5.626611 3.317779\n0.005523 0.043201 6.885098\nGa Cl\n2 6\ndirect\n0.339349 0.084780 0.236520 Ga\n0.660650 0.915219 0.763480 Ga\n0.741109 0.000000 -0.000000 Cl\n0.258891 0.000000 -0.000000 Cl\n0.689347 0.193083 0.428223 Cl\n0.310653 0.806916 0.571778 Cl\n0.828232 0.547985 0.795550 Cl\n0.171767 0.452015 0.204451 Cl\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ga",
"Cl"
],
"chemical_system": "Cl-Ga",
"density": 2.5533984930327316,
"density_atomic": 0.03493128234965284,
"volume": 229.02107972796787,
"volume_molar": 17.239964739112562,
"formula_full": "Ga2 Cl6",
"formula_reduced": "GaCl3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.500000000016378e-06,
"spacegroup": 12
},
{
"id": "jvasp-9990",
"created_at": "2022-09-04T14:37:19.075687Z",
"updated_at": "2022-09-04T14:37:19.075717Z",
"structure_string": "Ca5 B3 O9 F1\n1.0\n3.525148 -0.006944 0.298694\n1.208405 7.182976 3.687086\n-0.012725 0.000763 9.040983\nCa B O F\n5 3 9 1\ndirect\n0.642307 0.204606 -0.000000 Ca\n0.347434 0.698611 0.235476 Ca\n0.347434 0.934087 0.764523 Ca\n0.006099 0.261624 0.356638 Ca\n0.006099 0.618262 0.643362 Ca\n0.591630 0.319928 0.608045 B\n0.591631 0.927974 0.391954 B\n0.965346 0.558531 -0.000001 B\n0.793851 0.141587 0.653693 O\n0.918697 0.571261 0.148460 O\n0.581594 0.406465 0.709741 O\n0.403428 0.408596 0.456442 O\n0.403429 0.865038 0.543558 O\n0.581595 0.116206 0.290259 O\n0.056680 0.386709 0.000000 O\n0.918696 0.719720 0.851539 O\n0.793852 0.795282 0.346306 O\n0.247802 -0.000881 -0.000000 F\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Ca",
"B",
"O",
"F"
],
"chemical_system": "B-Ca-F-O",
"density": 2.8699016787413947,
"density_atomic": 0.07859539062943194,
"volume": 229.02106415970235,
"volume_molar": 7.662206029859549,
"formula_full": "Ca5 B3 O9 F1",
"formula_reduced": "Ca5B3O9F",
"formula_anonymous": "AB3C5D9",
"energy_above_hull": 2.110897868472222,
"spacegroup": 8
}
]
}