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=4112",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=updated_at&page=4110",
"results": [
{
"id": "jvasp-112370",
"created_at": "2022-09-04T14:38:39.443994Z",
"updated_at": "2022-09-04T14:38:39.444013Z",
"structure_string": "Er2 Lu2 B8 Ru4\n1.0\n5.259727 -0.000000 0.000000\n0.000000 5.845892 0.000000\n-0.000000 0.000000 6.321277\nEr Lu B Ru\n2 2 8 4\ndirect\n0.500000 0.489553 0.586646 Er\n0.500000 0.989553 0.413354 Er\n-0.000000 0.511195 0.914522 Lu\n-0.000000 0.011195 0.085478 Lu\n0.666433 0.131841 0.787185 B\n0.333568 0.631841 0.212816 B\n0.164748 0.867180 0.716110 B\n0.835253 0.367180 0.283891 B\n0.835253 0.867180 0.716110 B\n0.164748 0.367180 0.283891 B\n0.333568 0.131841 0.787185 B\n0.666433 0.631841 0.212816 B\n0.500000 0.316238 0.066610 Ru\n0.500000 0.816238 0.933390 Ru\n-0.000000 0.684969 0.432083 Ru\n-0.000000 0.184970 0.567918 Ru\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Er",
"Lu",
"B",
"Ru"
],
"chemical_system": "B-Er-Lu-Ru",
"density": 10.040364017630852,
"density_atomic": 0.08231920548214951,
"volume": 194.36533560166,
"volume_molar": 7.315596311611475,
"formula_full": "Er2 Lu2 B8 Ru4",
"formula_reduced": "ErLu(B2Ru)2",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 4.230198385416667,
"spacegroup": 26
},
{
"id": "jvasp-120153",
"created_at": "2022-09-04T14:38:39.447363Z",
"updated_at": "2022-09-04T14:38:39.447384Z",
"structure_string": "Mn1 Tl1 F3\n1.0\n4.256926 0.000000 0.000000\n-0.000000 4.256926 -0.000000\n-0.000000 0.000000 4.256926\nMn Tl F\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Tl\n0.000000 0.500000 0.000000 F\n0.000000 0.000000 0.500000 F\n0.500000 0.000000 0.000000 F\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Mn",
"Tl",
"F"
],
"chemical_system": "F-Mn-Tl",
"density": 6.80899032177368,
"density_atomic": 0.0648159218495881,
"volume": 77.14153956805559,
"volume_molar": 9.29114419443881,
"formula_full": "Mn1 Tl1 F3",
"formula_reduced": "MnTlF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.219306137775862,
"spacegroup": 221
},
{
"id": "jvasp-110781",
"created_at": "2022-09-04T14:38:39.447866Z",
"updated_at": "2022-09-04T14:38:39.447903Z",
"structure_string": "Er2 Zn1 Hg1\n1.0\n4.411780 -0.000000 2.547142\n1.470593 4.159466 2.547142\n-0.000000 -0.000000 5.094285\nEr Zn Hg\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Er\n0.749999 0.750001 0.749999 Er\n0.000000 0.000000 0.000000 Zn\n0.499999 0.500000 0.499999 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Er",
"Zn",
"Hg"
],
"chemical_system": "Er-Hg-Zn",
"density": 10.666937233736782,
"density_atomic": 0.04278832907101523,
"volume": 93.48343547983032,
"volume_molar": 14.074260179697907,
"formula_full": "Er2 Zn1 Hg1",
"formula_reduced": "Er2ZnHg",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-115777",
"created_at": "2022-09-04T14:38:39.449925Z",
"updated_at": "2022-09-04T14:38:39.449954Z",
"structure_string": "Sn1 C1\n1.0\n3.597539 0.000000 -0.000000\n-1.798769 3.115560 0.000000\n-0.000000 0.000000 4.268379\nSn C\n1 1\ndirect\n0.333333 0.666667 0.000000 Sn\n0.000000 0.000000 0.000000 C\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Sn",
"C"
],
"chemical_system": "C-Sn",
"density": 4.537209759993806,
"density_atomic": 0.04180472693578142,
"volume": 47.84147981811511,
"volume_molar": 14.40540628156942,
"formula_full": "Sn1 C1",
"formula_reduced": "SnC",
"formula_anonymous": "AB",
"energy_above_hull": 2.8158058500000003,
"spacegroup": 187
},
{
"id": "jvasp-31779",
"created_at": "2022-09-04T14:38:39.452377Z",
"updated_at": "2022-09-04T14:38:39.452403Z",
"structure_string": "Nb4 W2 Se12\n1.0\n0.347384 5.943357 0.004129\n-4.973390 3.272450 0.000733\n-1.538139 3.081729 13.012388\nNb W Se\n4 2 12\ndirect\n0.250127 0.916963 0.250009 Nb\n0.416540 0.749705 0.749991 Nb\n0.916744 0.583669 0.249992 Nb\n0.749922 0.083000 0.750009 Nb\n0.083238 0.416454 0.750000 W\n0.583429 0.250213 0.250000 W\n0.213816 0.533567 0.379006 Se\n0.039756 0.699712 0.879085 Se\n0.126710 0.785475 0.620912 Se\n0.626912 0.966954 0.120914 Se\n0.539957 0.881192 0.379088 Se\n0.365934 0.047333 0.879079 Se\n0.800529 0.459265 0.620924 Se\n0.953050 0.293111 0.120998 Se\n0.866139 0.207403 0.379077 Se\n0.713617 0.373558 0.879003 Se\n0.300731 0.619336 0.120922 Se\n0.452850 0.133102 0.620994 Se\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Nb",
"W",
"Se"
],
"chemical_system": "Nb-Se-W",
"density": 7.01363081250999,
"density_atomic": 0.045070891274616366,
"volume": 399.37084648107424,
"volume_molar": 13.361485849718775,
"formula_full": "Nb4 W2 Se12",
"formula_reduced": "Nb2WSe6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 3.503062111111111,
"spacegroup": 15
},
{
"id": "jvasp-115778",
"created_at": "2022-09-04T14:38:39.455136Z",
"updated_at": "2022-09-04T14:38:39.455164Z",
"structure_string": "Sn1 C2\n1.0\n5.223719 0.000000 1.202753\n0.000000 3.255401 0.000000\n1.305067 0.000000 3.053779\nSn C\n1 2\ndirect\n0.133323 0.000000 -0.199981 Sn\n-0.513421 0.000000 -0.047414 C\n-0.219902 0.000000 0.647395 C\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Sn",
"C"
],
"chemical_system": "C-Sn",
"density": 5.062120295394628,
"density_atomic": 0.06407448040190342,
"volume": 46.82051233474975,
"volume_molar": 9.398657191172642,
"formula_full": "Sn1 C2",
"formula_reduced": "SnC2",
"formula_anonymous": "AB2",
"energy_above_hull": 4.077100566666666,
"spacegroup": 47
},
{
"id": "jvasp-120156",
"created_at": "2022-09-04T14:38:39.456284Z",
"updated_at": "2022-09-04T14:38:39.456303Z",
"structure_string": "Mn1 Tl1 F1\n1.0\n4.607042 0.000000 0.000000\n-2.303521 3.989816 0.000000\n-0.000000 -0.000000 2.771326\nMn Tl F\n1 1 1\ndirect\n0.333334 0.666668 0.000000 Mn\n0.666667 0.333334 0.000000 Tl\n0.000000 0.000000 0.000000 F\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Mn",
"Tl",
"F"
],
"chemical_system": "F-Mn-Tl",
"density": 9.072572866512356,
"density_atomic": 0.05889231133945304,
"volume": 50.94043571677998,
"volume_molar": 10.225682475406018,
"formula_full": "Mn1 Tl1 F1",
"formula_reduced": "MnTlF",
"formula_anonymous": "ABC",
"energy_above_hull": 1.1334500412931032,
"spacegroup": 187
},
{
"id": "jvasp-110776",
"created_at": "2022-09-04T14:38:39.462239Z",
"updated_at": "2022-09-04T14:38:39.462258Z",
"structure_string": "Ca1 Sm1 In2\n1.0\n4.679904 -0.000000 2.701944\n1.559968 4.412256 2.701944\n-0.000000 -0.000000 5.403887\nCa Sm In\n1 1 2\ndirect\n0.500000 0.500001 0.499999 Ca\n0.000000 0.000000 0.000000 Sm\n0.749999 0.750001 0.749999 In\n0.250000 0.250000 0.250000 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Sm",
"In"
],
"chemical_system": "Ca-In-Sm",
"density": 6.251309396093085,
"density_atomic": 0.03584726989110766,
"volume": 111.5845087269044,
"volume_molar": 16.79944045472167,
"formula_full": "Ca1 Sm1 In2",
"formula_reduced": "CaSmIn2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-29355",
"created_at": "2022-09-04T14:38:39.462913Z",
"updated_at": "2022-09-04T14:38:39.462938Z",
"structure_string": "Ta4 Te6\n1.0\n3.474962 0.000099 0.593240\n1.662141 7.422427 0.738379\n0.000810 0.102557 10.468264\nTa Te\n4 6\ndirect\n0.417064 0.020778 0.145076 Ta\n0.582935 0.979222 0.854924 Ta\n0.225497 0.937153 0.611903 Ta\n0.774502 0.062848 0.388097 Ta\n0.431599 0.772618 0.364206 Te\n0.568400 0.227383 0.635794 Te\n0.192066 0.330589 0.285175 Te\n0.807933 0.669412 0.714824 Te\n0.102494 0.765425 0.029608 Te\n0.897505 0.234576 0.970391 Te\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Ta",
"Te"
],
"chemical_system": "Ta-Te",
"density": 9.165507269891254,
"density_atomic": 0.0370594126487057,
"volume": 269.83698027791735,
"volume_molar": 16.249962774869623,
"formula_full": "Ta4 Te6",
"formula_reduced": "Ta2Te3",
"formula_anonymous": "A2B3",
"energy_above_hull": 3.3790043399999994,
"spacegroup": 12
},
{
"id": "jvasp-110707",
"created_at": "2022-09-04T14:38:39.464343Z",
"updated_at": "2022-09-04T14:38:39.464370Z",
"structure_string": "Na2 Li1 Sc1 Cl6\n1.0\n6.035238 -0.000000 3.484446\n2.011746 5.690077 3.484446\n-0.000000 -0.000000 6.968892\nNa Li Sc Cl\n2 1 1 6\ndirect\n0.750001 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Sc\n0.750104 0.249897 0.249897 Cl\n0.249897 0.249897 0.750103 Cl\n0.249897 0.750104 0.750103 Cl\n0.249897 0.750104 0.249897 Cl\n0.750104 0.249897 0.750103 Cl\n0.750104 0.750104 0.249897 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Na",
"Li",
"Sc",
"Cl"
],
"chemical_system": "Cl-Li-Na-Sc",
"density": 2.1550954527592703,
"density_atomic": 0.04178531892259342,
"volume": 239.3185036717041,
"volume_molar": 14.41209715583579,
"formula_full": "Na2 Li1 Sc1 Cl6",
"formula_reduced": "Na2LiScCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.1016177655,
"spacegroup": 225
},
{
"id": "jvasp-110507",
"created_at": "2022-09-04T14:38:39.466112Z",
"updated_at": "2022-09-04T14:38:39.466139Z",
"structure_string": "Pr4 Ge4 Ru2\n1.0\n5.370464 0.014499 2.817722\n3.588989 3.995153 2.817722\n-0.007876 -0.003525 10.730630\nPr Ge Ru\n4 4 2\ndirect\n0.004478 0.004478 0.326120 Pr\n0.995521 0.995522 0.673880 Pr\n0.815028 0.815029 0.107625 Pr\n0.184970 0.184972 0.892375 Pr\n0.657453 0.657454 0.430282 Ge\n0.342546 0.342547 0.569718 Ge\n0.504083 0.504083 0.128973 Ge\n0.495915 0.495918 0.871027 Ge\n0.722539 0.722541 0.623251 Ru\n0.277459 0.277460 0.376749 Ru\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Pr",
"Ge",
"Ru"
],
"chemical_system": "Ge-Pr-Ru",
"density": 7.633656791062762,
"density_atomic": 0.04351947744881806,
"volume": 229.7821707937715,
"volume_molar": 13.83780576658453,
"formula_full": "Pr4 Ge4 Ru2",
"formula_reduced": "Pr2Ge2Ru",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.87832442,
"spacegroup": 12
},
{
"id": "jvasp-111928",
"created_at": "2022-09-04T14:38:39.466683Z",
"updated_at": "2022-09-04T14:38:39.466703Z",
"structure_string": "Li8 Mn4 O8 F4\n1.0\n5.119867 0.052607 -0.710409\n-2.524027 4.345889 0.289626\n0.016098 -0.144703 9.676202\nLi Mn O F\n8 4 8 4\ndirect\n0.187087 0.862800 0.506230 Li\n-0.000000 0.500000 0.000000 Li\n0.064494 0.138932 0.251812 Li\n0.678077 0.875864 0.992157 Li\n0.500000 0.500000 0.500000 Li\n0.321924 0.124139 0.007843 Li\n0.935506 0.861069 0.748188 Li\n0.812914 0.137201 0.493770 Li\n0.577354 0.155712 0.750453 Mn\n0.751411 0.491519 0.249352 Mn\n0.248590 0.508482 0.750648 Mn\n0.422647 0.844290 0.249547 Mn\n0.057768 0.805436 0.148232 O\n0.289929 0.818208 0.872579 O\n0.521872 0.828556 0.635538 O\n0.254610 0.195528 0.643822 O\n0.745391 0.804473 0.356178 O\n0.478129 0.171445 0.364462 O\n0.710072 0.181794 0.127422 O\n0.942233 0.194566 0.851768 O\n0.352444 0.487617 0.118418 F\n0.124043 0.468635 0.389665 F\n0.647557 0.512385 0.881582 F\n0.875958 0.531366 0.610335 F\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 3.6744476796343113,
"density_atomic": 0.1108089602227746,
"volume": 216.58898298250858,
"volume_molar": 5.434705594107963,
"formula_full": "Li8 Mn4 O8 F4",
"formula_reduced": "Li2MnO2F",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 1.5220640873132187,
"spacegroup": 2
}
]
}