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=-updated_at&page=80",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-updated_at&page=78",
"results": [
{
"id": "jvasp-122094",
"created_at": "2022-09-04T14:38:53.412129Z",
"updated_at": "2022-09-04T14:38:53.412165Z",
"structure_string": "Ti8 Cr2 Bi4\n1.0\n7.818070 0.008857 -0.818974\n-6.342202 4.571517 -0.818974\n-0.002854 -0.008857 7.860847\nTi Cr Bi\n8 2 4\ndirect\n0.079739 0.192049 0.271788 Ti\n0.920262 0.807952 0.728213 Ti\n0.807951 0.079739 0.887690 Ti\n0.420262 0.692050 0.112312 Ti\n0.192050 0.920262 0.112312 Ti\n0.579740 0.307951 0.887690 Ti\n0.692050 0.579740 0.271789 Ti\n0.307951 0.420261 0.728213 Ti\n0.250000 0.250000 0.000000 Cr\n0.750001 0.750001 0.000001 Cr\n0.139533 0.639533 0.779065 Bi\n0.860468 0.360468 0.220936 Bi\n0.360468 0.139533 0.500000 Bi\n0.639534 0.860468 0.500001 Bi\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ti",
"Cr",
"Bi"
],
"chemical_system": "Bi-Cr-Ti",
"density": 7.8095026564955115,
"density_atomic": 0.049772766334445086,
"volume": 281.2783180651011,
"volume_molar": 12.099268743743497,
"formula_full": "Ti8 Cr2 Bi4",
"formula_reduced": "Ti4CrBi2",
"formula_anonymous": "AB2C4",
"energy_above_hull": null,
"spacegroup": 140
},
{
"id": "jvasp-118666",
"created_at": "2022-09-04T14:38:53.407664Z",
"updated_at": "2022-09-04T14:38:53.407694Z",
"structure_string": "Nb1 Al1 O1\n1.0\n6.477130 0.000000 0.000000\n0.000000 6.477130 0.000000\n0.000000 0.000000 4.762595\nNb Al O\n1 1 1\ndirect\n0.313826 0.004137 0.000000 Nb\n-0.047248 -0.049611 0.000000 Al\n0.005449 0.252238 0.000000 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Nb",
"Al",
"O"
],
"chemical_system": "Al-Nb-O",
"density": 1.129325533334294,
"density_atomic": 0.015014551905253628,
"volume": 199.80616264347475,
"volume_molar": 40.10869453848196,
"formula_full": "Nb1 Al1 O1",
"formula_reduced": "NbAlO",
"formula_anonymous": "ABC",
"energy_above_hull": 3.444798566666666,
"spacegroup": 6
},
{
"id": "jvasp-117662",
"created_at": "2022-09-04T14:38:53.403550Z",
"updated_at": "2022-09-04T14:38:53.403566Z",
"structure_string": "Be1 Cd1 P1\n1.0\n6.198800 0.646766 0.000000\n0.705805 3.612329 0.000000\n0.000000 0.000000 2.724436\nBe Cd P\n1 1 1\ndirect\n-0.160826 -0.127185 0.000000 Be\n0.435503 0.075005 0.000000 Cd\n-0.002650 0.294469 0.000000 P\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Be",
"Cd",
"P"
],
"chemical_system": "Be-Cd-P",
"density": 4.234468861849199,
"density_atomic": 0.05019897421047759,
"volume": 59.76217735887194,
"volume_molar": 11.996541472640395,
"formula_full": "Be1 Cd1 P1",
"formula_reduced": "BeCdP",
"formula_anonymous": "ABC",
"energy_above_hull": 0.9102671166666664,
"spacegroup": 38
},
{
"id": "jvasp-119568",
"created_at": "2022-09-04T14:38:53.403402Z",
"updated_at": "2022-09-04T14:38:53.403431Z",
"structure_string": "Zn4 Sn2 O8\n1.0\n5.348834 -0.000000 3.088151\n1.782945 5.042929 3.088151\n-0.000000 -0.000000 6.176302\nZn Sn O\n4 2 8\ndirect\n0.624999 0.125000 0.125000 Zn\n0.124999 0.625000 0.125000 Zn\n0.125000 0.125000 0.625000 Zn\n0.125000 0.125000 0.125000 Zn\n0.499999 0.500000 0.500000 Sn\n0.749999 0.750000 0.750000 Sn\n0.896799 0.367734 0.367734 O\n0.367733 0.896800 0.367734 O\n0.367733 0.367734 0.896800 O\n0.367733 0.367734 0.367734 O\n0.353199 0.882266 0.882266 O\n0.882265 0.353200 0.882266 O\n0.882265 0.882266 0.353200 O\n0.882265 0.882266 0.882266 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Zn",
"Sn",
"O"
],
"chemical_system": "O-Sn-Zn",
"density": 6.250022831394237,
"density_atomic": 0.08403448420101528,
"volume": 166.59827371000696,
"volume_molar": 7.166273247533352,
"formula_full": "Zn4 Sn2 O8",
"formula_reduced": "Zn2SnO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.8996894999999998,
"spacegroup": 227
},
{
"id": "jvasp-118660",
"created_at": "2022-09-04T14:38:53.402273Z",
"updated_at": "2022-09-04T14:38:53.402303Z",
"structure_string": "Na1 Al1 Te1\n1.0\n5.153090 0.000000 0.000000\n0.000000 5.153090 -0.000000\n0.000000 0.000000 8.278497\nNa Al Te\n1 1 1\ndirect\n0.000000 0.000000 0.356107 Na\n0.000000 0.000000 -0.005847 Al\n0.000000 0.000000 0.702107 Te\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Na",
"Al",
"Te"
],
"chemical_system": "Al-Na-Te",
"density": 1.3413278439905973,
"density_atomic": 0.01364690925755122,
"volume": 219.82999545043617,
"volume_molar": 44.12823919575621,
"formula_full": "Na1 Al1 Te1",
"formula_reduced": "NaAlTe",
"formula_anonymous": "ABC",
"energy_above_hull": 0.6471865222222223,
"spacegroup": 99
},
{
"id": "jvasp-121124",
"created_at": "2022-09-04T14:38:53.402117Z",
"updated_at": "2022-09-04T14:38:53.402144Z",
"structure_string": "I2 F1\n1.0\n4.563321 0.000000 -0.000861\n0.000000 3.942445 0.000000\n0.001434 0.000000 6.017580\nI F\n2 1\ndirect\n-0.033362 0.000000 -0.033395 I\n-0.033262 0.000000 0.466608 I\n0.466624 0.000000 -0.033212 F\n",
"nsites": 3,
"nelements": 2,
"elements": [
"I",
"F"
],
"chemical_system": "F-I",
"density": 4.184432807183181,
"density_atomic": 0.027711031981848103,
"volume": 108.26013271411641,
"volume_molar": 21.731925263356327,
"formula_full": "I2 F1",
"formula_reduced": "I2F",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0261066666666666,
"spacegroup": 47
},
{
"id": "jvasp-118133",
"created_at": "2022-09-04T14:38:53.401956Z",
"updated_at": "2022-09-04T14:38:53.401981Z",
"structure_string": "P1 Cl1\n1.0\n7.408481 0.000000 0.000000\n0.000000 7.408481 0.000000\n0.000000 0.000000 10.583545\nP Cl\n1 1\ndirect\n0.000000 0.000000 0.106324 P\n0.000000 0.000000 0.893676 Cl\n",
"nsites": 2,
"nelements": 2,
"elements": [
"P",
"Cl"
],
"chemical_system": "Cl-P",
"density": 0.18989025470155668,
"density_atomic": 0.0034430275049691906,
"volume": 580.8841193146079,
"volume_molar": 174.90829658806018,
"formula_full": "P1 Cl1",
"formula_reduced": "PCl",
"formula_anonymous": "AB",
"energy_above_hull": 1.5115447837499998,
"spacegroup": 99
},
{
"id": "jvasp-123413",
"created_at": "2022-09-04T14:38:53.396023Z",
"updated_at": "2022-09-04T14:38:53.396045Z",
"structure_string": "Na1 Zr1\n1.0\n1.517313 -2.628061 -0.000000\n1.517313 2.628061 -0.000000\n-0.000000 0.000000 6.209270\nNa Zr\n1 1\ndirect\n0.666666 0.333332 0.250000 Na\n0.333332 0.666666 0.750000 Zr\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Na",
"Zr"
],
"chemical_system": "Na-Zr",
"density": 3.8298908864373282,
"density_atomic": 0.04038767333734428,
"volume": 49.52005982851973,
"volume_molar": 14.910838536548361,
"formula_full": "Na1 Zr1",
"formula_reduced": "NaZr",
"formula_anonymous": "AB",
"energy_above_hull": 1.39745175,
"spacegroup": 187
},
{
"id": "jvasp-121020",
"created_at": "2022-09-04T14:38:53.392819Z",
"updated_at": "2022-09-04T14:38:53.392847Z",
"structure_string": "Rb1 Mn1 F1\n1.0\n6.567201 0.334188 0.000000\n-0.205575 4.070265 0.000000\n0.000000 0.000000 3.255217\nRb Mn F\n1 1 1\ndirect\n-0.188993 0.429456 0.000000 Rb\n0.352647 -0.070564 0.000000 Mn\n0.054318 -0.070700 0.000000 F\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Rb",
"Mn",
"F"
],
"chemical_system": "F-Mn-Rb",
"density": 3.0342494400957083,
"density_atomic": 0.03438931667479021,
"volume": 87.23639461551764,
"volume_molar": 17.511661592318443,
"formula_full": "Rb1 Mn1 F1",
"formula_reduced": "RbMnF",
"formula_anonymous": "ABC",
"energy_above_hull": 0.7742534975369456,
"spacegroup": 25
},
{
"id": "jvasp-120566",
"created_at": "2022-09-04T14:38:53.391338Z",
"updated_at": "2022-09-04T14:38:53.391359Z",
"structure_string": "Na4 Ni4 O8\n1.0\n3.038800 -0.013279 -0.000080\n0.363519 5.049503 0.000122\n0.000223 -0.000260 10.435964\nNa Ni O\n4 4 8\ndirect\n0.480083 0.160057 0.249999 Na\n0.980081 0.660056 0.250000 Na\n0.019918 0.339943 0.749999 Na\n0.519918 0.839941 0.750000 Na\n0.500005 0.499996 0.499999 Ni\n-0.000003 0.000004 0.000000 Ni\n-0.000005 0.000004 0.500000 Ni\n0.500004 0.499996 0.000000 Ni\n0.967569 0.322540 0.402645 O\n0.467573 0.822544 0.402643 O\n0.532430 0.177456 0.597355 O\n0.032425 0.677458 0.597357 O\n0.532429 0.177458 0.902643 O\n0.032429 0.677455 0.902641 O\n0.967568 0.322542 0.097356 O\n0.467572 0.822543 0.097358 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Na",
"Ni",
"O"
],
"chemical_system": "Na-Ni-O",
"density": 4.71390417228704,
"density_atomic": 0.09988494972163825,
"volume": 160.18429247438357,
"volume_molar": 6.029077230135917,
"formula_full": "Na4 Ni4 O8",
"formula_reduced": "NaNiO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.9597771,
"spacegroup": 63
},
{
"id": "jvasp-121994",
"created_at": "2022-09-04T14:38:53.390619Z",
"updated_at": "2022-09-04T14:38:53.390645Z",
"structure_string": "Er1 Al3 B4 O12\n1.0\n5.713598 -0.010657 -1.465674\n-1.886606 5.393147 -1.465674\n-0.007577 -0.010657 5.898588\nEr Al B O\n1 3 4 12\ndirect\n0.000000 0.000000 0.000000 Er\n-0.000001 0.444698 0.555302 Al\n0.444698 0.555302 0.000001 Al\n0.555301 -0.000001 0.444699 Al\n0.500000 0.500000 0.500001 B\n0.500000 0.056254 0.943746 B\n0.056254 0.943746 0.500001 B\n0.943745 0.500000 0.056256 B\n0.369744 0.219256 0.971045 O\n0.780743 0.630255 0.028956 O\n0.028955 0.780743 0.630256 O\n0.630255 0.028955 0.780744 O\n0.091956 0.500000 0.908043 O\n0.648768 0.351231 0.500001 O\n0.500000 0.908043 0.091958 O\n0.351231 0.500000 0.648769 O\n0.971044 0.369744 0.219258 O\n0.500000 0.648768 0.351233 O\n0.908043 0.091956 0.500001 O\n0.219256 0.971045 0.369746 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Er",
"Al",
"B",
"O"
],
"chemical_system": "Al-B-Er-O",
"density": 4.423876944449614,
"density_atomic": 0.11021507016336186,
"volume": 181.46338763252433,
"volume_molar": 5.463990315547523,
"formula_full": "Er1 Al3 B4 O12",
"formula_reduced": "ErAl3(BO3)4",
"formula_anonymous": "AB3C4D12",
"energy_above_hull": 3.2132520366666664,
"spacegroup": 155
},
{
"id": "jvasp-120407",
"created_at": "2022-09-04T14:38:53.383374Z",
"updated_at": "2022-09-04T14:38:53.383404Z",
"structure_string": "Ga2 As2 O8\n1.0\n4.920029 0.110709 0.000000\n-0.158645 4.918716 0.000000\n-0.000000 -0.000000 7.136237\nGa As O\n2 2 8\ndirect\n0.834673 0.834675 0.500000 Ga\n0.165326 0.165326 -0.000000 Ga\n0.660801 0.339200 0.250000 As\n0.339199 0.660801 0.750000 As\n0.778450 0.202283 0.456196 O\n0.797717 0.221550 0.043804 O\n0.221549 0.797718 0.956197 O\n0.202282 0.778451 0.543804 O\n0.318013 0.277949 0.225613 O\n0.722051 0.681987 0.274388 O\n0.681986 0.722052 0.725613 O\n0.277948 0.318014 0.774388 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ga",
"As",
"O"
],
"chemical_system": "As-Ga-O",
"density": 4.009382536337318,
"density_atomic": 0.0694348487588412,
"volume": 172.82388043614813,
"volume_molar": 8.67308112229912,
"formula_full": "Ga2 As2 O8",
"formula_reduced": "GaAsO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.8757713458333332,
"spacegroup": 20
}
]
}