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=3497",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume&page=3495",
"results": [
{
"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-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-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-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-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-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-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-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-36502",
"created_at": "2022-09-04T14:37:28.394682Z",
"updated_at": "2022-09-04T14:37:28.394710Z",
"structure_string": "Ba3 As1 P1\n1.0\n6.119167 -0.000000 -0.000000\n-0.000000 6.119167 0.000000\n0.000000 -0.000000 6.119167\nBa As P\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Ba\n0.500000 0.000000 0.500000 Ba\n0.500000 0.500000 0.000000 Ba\n0.500000 0.500000 0.500000 As\n0.000000 0.000000 0.000000 P\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"As",
"P"
],
"chemical_system": "As-Ba-P",
"density": 3.753170278748224,
"density_atomic": 0.021821926410575437,
"volume": 229.12734219362403,
"volume_molar": 27.59674213309382,
"formula_full": "Ba3 As1 P1",
"formula_reduced": "Ba3AsP",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.8588570320000002,
"spacegroup": 221
},
{
"id": "jvasp-112505",
"created_at": "2022-09-04T14:38:41.486362Z",
"updated_at": "2022-09-04T14:38:41.486380Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n4.893887 -0.060699 -0.899082\n-0.936718 4.731274 -0.855835\n0.063562 0.135654 9.878676\nLi Mn Co O\n8 2 4 14\ndirect\n0.427427 0.706236 0.921386 Li\n0.570996 0.289382 0.074107 Li\n0.286079 0.142212 0.775786 Li\n0.148530 0.575033 0.630769 Li\n0.003784 0.989911 0.498920 Li\n0.856553 0.437837 0.369694 Li\n0.708928 0.864916 0.230471 Li\n0.434073 0.716807 0.434367 Li\n0.997572 0.998237 0.997636 Mn\n0.146851 0.574987 0.150486 Mn\n0.714570 0.856081 0.711375 Co\n0.857685 0.427583 0.855808 Co\n0.284206 0.143652 0.287541 Co\n0.570661 0.284303 0.568797 Co\n0.617564 0.091471 0.394470 O\n0.668616 0.074552 0.890707 O\n0.807327 0.647098 0.030340 O\n0.532252 0.503323 0.746012 O\n0.388137 0.941533 0.612596 O\n0.233891 0.334436 0.459886 O\n0.075444 0.785692 0.308390 O\n0.945086 0.216739 0.170880 O\n0.191853 0.352269 0.967840 O\n0.331647 0.922309 0.107841 O\n0.051856 0.783377 0.828026 O\n0.901441 0.211855 0.684986 O\n0.778139 0.638896 0.547968 O\n0.468818 0.489245 0.242914 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.530429428485026,
"density_atomic": 0.12220220020827458,
"volume": 229.1284441055756,
"volume_molar": 4.928013366155602,
"formula_full": "Li8 Mn2 Co4 O14",
"formula_reduced": "Li4MnCo2O7",
"formula_anonymous": "AB2C4D7",
"energy_above_hull": 2.554892395812808,
"spacegroup": 1
},
{
"id": "jvasp-104106",
"created_at": "2022-09-04T14:36:44.695048Z",
"updated_at": "2022-09-04T14:36:44.695078Z",
"structure_string": "H6 C14 N2 O2\n1.0\n3.625778 0.041647 0.032401\n0.259193 5.425963 0.022036\n-0.020198 -0.005143 11.653192\nH C N O\n6 14 2 2\ndirect\n0.441697 0.384571 0.764101 H\n0.366337 0.477875 0.977367 H\n0.809244 0.183997 0.900983 H\n0.660697 0.356437 0.477485 H\n0.586104 0.449896 0.264246 H\n0.218079 0.650381 0.400965 H\n0.083951 0.822682 0.371407 C\n0.045486 0.877111 0.255300 C\n0.867512 0.101502 0.221090 C\n0.046624 0.881400 0.071686 C\n0.723278 0.280072 0.296145 C\n0.764922 0.225730 0.412475 C\n0.942355 0.000422 0.449813 C\n0.980916 0.953028 0.571715 C\n0.982166 0.957349 0.755309 C\n0.943423 0.011699 0.871405 C\n0.084936 0.833935 0.949769 C\n0.262365 0.608628 0.912382 C\n0.304366 0.554374 0.796043 C\n0.160187 0.732977 0.721044 C\n0.870585 0.091513 0.658149 N\n0.157113 0.742955 0.158077 N\n0.161880 0.728025 0.603004 O\n0.865767 0.106446 0.103042 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"H",
"C",
"N",
"O"
],
"chemical_system": "C-H-N-O",
"density": 1.6973128211472799,
"density_atomic": 0.10474161585732109,
"volume": 229.13528499209687,
"volume_molar": 5.749520580438011,
"formula_full": "H6 C14 N2 O2",
"formula_reduced": "H3C7NO",
"formula_anonymous": "ABC3D7",
"energy_above_hull": 5.842256395833335,
"spacegroup": 4
},
{
"id": "jvasp-122013",
"created_at": "2022-09-04T14:38:53.653237Z",
"updated_at": "2022-09-04T14:38:53.653270Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n4.794660 0.061939 0.995295\n1.486759 4.713398 0.439363\n0.380225 -0.247127 10.252569\nLi Mn Co O\n8 2 4 14\ndirect\n0.074790 0.500022 0.850278 Li\n0.651433 0.500018 0.696885 Li\n0.217229 0.500086 0.565308 Li\n0.781436 0.500059 0.437045 Li\n0.352755 0.499942 0.294649 Li\n0.923719 0.499965 0.152684 Li\n0.498481 0.499961 0.003110 Li\n0.717175 0.000069 0.565517 Li\n-0.001166 0.999976 0.002402 Mn\n0.575291 -0.000028 0.849551 Mn\n0.855650 0.000008 0.288658 Co\n0.427990 -0.000000 0.144032 Co\n0.143770 -0.000006 0.712552 Co\n0.284506 0.000023 0.430869 Co\n0.255792 0.223919 0.001024 O\n0.743316 0.776043 0.000886 O\n0.313108 0.775661 0.860641 O\n0.882829 0.771862 0.724542 O\n0.432210 0.773805 0.572690 O\n0.037421 0.773703 0.419166 O\n0.595957 0.785118 0.284368 O\n0.171244 0.776233 0.140473 O\n0.392804 0.227986 0.724635 O\n0.995022 0.226192 0.572860 O\n0.543184 0.226416 0.419253 O\n0.119528 0.214914 0.284507 O\n0.688233 0.223771 0.140599 O\n0.826310 0.224282 0.860800 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.530267312385017,
"density_atomic": 0.1221978273459614,
"volume": 229.13664349143923,
"volume_molar": 4.928189715640661,
"formula_full": "Li8 Mn2 Co4 O14",
"formula_reduced": "Li4MnCo2O7",
"formula_anonymous": "AB2C4D7",
"energy_above_hull": 2.5550131100985225,
"spacegroup": 5
}
]
}