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=energy_above_hull&page=561",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=559",
"results": [
{
"id": "jvasp-20103",
"created_at": "2022-09-04T14:36:36.582403Z",
"updated_at": "2022-09-04T14:36:36.582433Z",
"structure_string": "La1 Se1\n1.0\n3.732934 0.000000 2.155210\n1.244311 3.519444 2.155210\n0.000000 0.000000 4.310421\nLa Se\n1 1\ndirect\n0.000000 0.000000 0.000000 La\n0.499999 0.499999 0.500000 Se\n",
"nsites": 2,
"nelements": 2,
"elements": [
"La",
"Se"
],
"chemical_system": "La-Se",
"density": 6.388419699301461,
"density_atomic": 0.03531717318622851,
"volume": 56.62967388284278,
"volume_molar": 17.05159336576875,
"formula_full": "La1 Se1",
"formula_reduced": "LaSe",
"formula_anonymous": "AB",
"energy_above_hull": 0.057884183333333,
"spacegroup": 225
},
{
"id": "jvasp-35129",
"created_at": "2022-09-04T14:37:31.820907Z",
"updated_at": "2022-09-04T14:37:31.820928Z",
"structure_string": "Ca6 Ge2 O1\n1.0\n4.772465 4.772465 0.000000\n4.772465 -0.000000 -4.772465\n-0.000000 4.772465 -4.772465\nCa Ge O\n6 2 1\ndirect\n0.996814 0.503188 0.996814 Ca\n0.503188 0.996814 0.996814 Ca\n0.996814 0.996814 0.503188 Ca\n0.503188 0.996814 0.503188 Ca\n0.996814 0.503188 0.503188 Ca\n0.503188 0.503188 0.996814 Ca\n0.000000 0.000000 0.000000 Ge\n0.500000 0.500000 0.500000 Ge\n0.750001 0.750001 0.750001 O\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ca",
"Ge",
"O"
],
"chemical_system": "Ca-Ge-O",
"density": 3.068625717014192,
"density_atomic": 0.04139846682916037,
"volume": 217.39935532251536,
"volume_molar": 14.546772432060473,
"formula_full": "Ca6 Ge2 O1",
"formula_reduced": "Ca6Ge2O",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.0579942133333334,
"spacegroup": 225
},
{
"id": "jvasp-34780",
"created_at": "2022-09-04T14:37:08.961341Z",
"updated_at": "2022-09-04T14:37:08.961368Z",
"structure_string": "Ba7 Cl2 F12\n1.0\n5.359756 -9.283371 -0.000000\n5.359756 9.283371 -0.000000\n-0.000000 0.000000 4.181231\nBa Cl F\n7 2 12\ndirect\n0.889168 0.590697 0.000000 Ba\n0.597007 0.711143 0.500000 Ba\n0.114136 0.402993 0.500000 Ba\n0.288858 0.885865 0.500000 Ba\n0.409303 0.298471 0.000000 Ba\n0.701530 0.110833 0.000000 Ba\n0.000000 0.000000 0.000000 Ba\n0.666667 0.333333 0.500000 Cl\n0.333333 0.666667 0.000000 Cl\n0.121668 0.844789 0.000000 F\n0.431922 0.062558 0.000000 F\n0.937443 0.369363 0.000000 F\n0.630637 0.568079 0.000000 F\n0.882007 0.783396 0.500000 F\n0.385993 0.436301 0.500000 F\n0.216605 0.098611 0.500000 F\n0.563700 0.949693 0.500000 F\n0.155211 0.276878 0.000000 F\n0.050308 0.614007 0.500000 F\n0.901389 0.117994 0.500000 F\n0.723123 0.878333 0.000000 F\n",
"nsites": 21,
"nelements": 3,
"elements": [
"Ba",
"Cl",
"F"
],
"chemical_system": "Ba-Cl-F",
"density": 5.029158957726199,
"density_atomic": 0.05047012860776617,
"volume": 416.08770532771325,
"volume_molar": 11.93208919042329,
"formula_full": "Ba7 Cl2 F12",
"formula_reduced": "Ba7(ClF6)2",
"formula_anonymous": "A2B7C12",
"energy_above_hull": 0.0579985526190475,
"spacegroup": 174
},
{
"id": "jvasp-45389",
"created_at": "2022-09-04T14:37:00.990812Z",
"updated_at": "2022-09-04T14:37:00.990832Z",
"structure_string": "Rb12 Al2 Sb6\n1.0\n0.000000 10.616288 0.011612\n6.230563 0.000000 0.000000\n0.000000 -2.308118 -12.161553\nRb Al Sb\n12 2 6\ndirect\n0.120172 0.750000 0.672991 Rb\n0.904927 0.250000 0.633994 Rb\n0.095073 0.750000 0.366006 Rb\n0.755047 0.750000 0.784560 Rb\n0.541051 0.250000 0.077636 Rb\n0.458949 0.750000 0.922364 Rb\n0.244953 0.250000 0.215440 Rb\n0.447732 0.750000 0.549158 Rb\n0.867699 0.250000 0.980646 Rb\n0.132301 0.750000 0.019354 Rb\n0.879828 0.250000 0.327009 Rb\n0.552268 0.250000 0.450842 Rb\n0.676581 0.750000 0.280234 Al\n0.323419 0.250000 0.719765 Al\n0.821612 0.750000 0.122762 Sb\n0.424640 0.750000 0.228130 Sb\n0.575360 0.250000 0.771870 Sb\n0.788804 0.750000 0.489772 Sb\n0.211196 0.250000 0.510228 Sb\n0.178388 0.250000 0.877238 Sb\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Rb",
"Al",
"Sb"
],
"chemical_system": "Al-Rb-Sb",
"density": 3.7373313975589246,
"density_atomic": 0.024867443474444844,
"volume": 804.2644198851041,
"volume_molar": 24.2169677240392,
"formula_full": "Rb12 Al2 Sb6",
"formula_reduced": "Rb6AlSb3",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0580401100000001,
"spacegroup": 11
},
{
"id": "jvasp-101224",
"created_at": "2022-09-04T14:36:38.783673Z",
"updated_at": "2022-09-04T14:36:38.783683Z",
"structure_string": "Ca2 Zn2 Ag2\n1.0\n4.592053 0.044011 3.596681\n2.271060 3.991388 3.596681\n0.038196 0.022459 7.295877\nCa Zn Ag\n2 2 2\ndirect\n0.452243 0.452243 0.301174 Ca\n0.547757 0.547758 0.698826 Ca\n0.158218 0.158217 0.893209 Zn\n0.841782 0.841783 0.106791 Zn\n0.829127 0.829128 0.727846 Ag\n0.170873 0.170873 0.272154 Ag\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ca",
"Zn",
"Ag"
],
"chemical_system": "Ag-Ca-Zn",
"density": 5.357207086481835,
"density_atomic": 0.04536358406040083,
"volume": 132.26468155626998,
"volume_molar": 13.275275498473896,
"formula_full": "Ca2 Zn2 Ag2",
"formula_reduced": "CaZnAg",
"formula_anonymous": "ABC",
"energy_above_hull": 0.058041968,
"spacegroup": 12
},
{
"id": "jvasp-91976",
"created_at": "2022-09-04T14:35:52.766335Z",
"updated_at": "2022-09-04T14:35:52.766361Z",
"structure_string": "Cr1 Hg1 F6\n1.0\n4.564305 0.020830 3.295330\n1.696599 4.237320 3.295329\n0.030628 0.020833 5.629489\nCr Hg F\n1 1 6\ndirect\n0.000000 0.000000 0.000000 Cr\n0.500001 0.500000 0.500000 Hg\n0.382825 0.044865 0.794851 F\n0.044866 0.794851 0.382825 F\n0.205149 0.617175 0.955135 F\n0.955136 0.205148 0.617175 F\n0.617176 0.955135 0.205148 F\n0.794852 0.382824 0.044865 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Cr",
"Hg",
"F"
],
"chemical_system": "Cr-F-Hg",
"density": 5.633362131709979,
"density_atomic": 0.07403616531679888,
"volume": 108.05529926851563,
"volume_molar": 8.134052775736576,
"formula_full": "Cr1 Hg1 F6",
"formula_reduced": "CrHgF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.058120461875,
"spacegroup": 148
},
{
"id": "jvasp-24435",
"created_at": "2022-09-04T14:38:17.986121Z",
"updated_at": "2022-09-04T14:38:17.986141Z",
"structure_string": "Cr1 Hg1 F6\n1.0\n4.579009 0.037507 3.278848\n1.705201 4.249827 3.278848\n0.054977 0.037507 5.631621\nCr Hg F\n1 1 6\ndirect\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500001 0.500000 Hg\n0.382653 0.045137 0.794646 F\n0.045136 0.794648 0.382653 F\n0.205353 0.617348 0.954863 F\n0.954864 0.205354 0.617347 F\n0.617346 0.954865 0.205353 F\n0.794647 0.382654 0.045137 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Cr",
"Hg",
"F"
],
"chemical_system": "Cr-F-Hg",
"density": 5.63007419823426,
"density_atomic": 0.07399295382414714,
"volume": 108.11840299027567,
"volume_molar": 8.138803019423062,
"formula_full": "Cr1 Hg1 F6",
"formula_reduced": "CrHgF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.058125461875,
"spacegroup": 148
},
{
"id": "jvasp-38425",
"created_at": "2022-09-04T14:37:54.636675Z",
"updated_at": "2022-09-04T14:37:54.636691Z",
"structure_string": "Pr1 Tl1 Ag2\n1.0\n0.000000 3.603943 3.603943\n3.603943 0.000000 3.603943\n3.603943 3.603943 0.000000\nPr Tl Ag\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Pr\n0.749999 0.749999 0.749999 Tl\n0.000000 0.000000 0.000000 Ag\n0.500000 0.500000 0.500000 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Pr",
"Tl",
"Ag"
],
"chemical_system": "Ag-Pr-Tl",
"density": 9.951061142665637,
"density_atomic": 0.042726395376773196,
"volume": 93.61894362318401,
"volume_molar": 14.094661407532962,
"formula_full": "Pr1 Tl1 Ag2",
"formula_reduced": "PrTlAg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0582192425,
"spacegroup": 225
},
{
"id": "jvasp-17726",
"created_at": "2022-09-04T14:38:15.246515Z",
"updated_at": "2022-09-04T14:38:15.246541Z",
"structure_string": "La1 In1 Cu2\n1.0\n4.226878 0.000000 2.440389\n1.408960 3.985139 2.440389\n-0.000000 -0.000000 4.880778\nLa In Cu\n1 1 2\ndirect\n0.500000 0.500000 0.500000 La\n0.000000 0.000000 0.000000 In\n0.250000 0.250000 0.250000 Cu\n0.750000 0.750000 0.750000 Cu\n",
"nsites": 4,
"nelements": 3,
"elements": [
"La",
"In",
"Cu"
],
"chemical_system": "Cu-In-La",
"density": 7.691506981814462,
"density_atomic": 0.048652789989877696,
"volume": 82.21522344005776,
"volume_molar": 12.377791204271983,
"formula_full": "La1 In1 Cu2",
"formula_reduced": "LaInCu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0582914675,
"spacegroup": 225
},
{
"id": "jvasp-80157",
"created_at": "2022-09-04T14:37:15.352398Z",
"updated_at": "2022-09-04T14:37:15.352407Z",
"structure_string": "Li1 Mg2 In1\n1.0\n-10.586133 0.000001 -6.111906\n-6.672695 -1.210444 -0.666366\n-5.182335 3.004933 -3.247747\nLi Mg In\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.744460 -0.000001 -0.000001 Mg\n0.255542 -0.000000 -0.000000 Mg\n0.500001 -0.000001 -0.000001 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Mg",
"In"
],
"chemical_system": "In-Li-Mg",
"density": 2.884558174831678,
"density_atomic": 0.04078492064929225,
"volume": 98.0754635860598,
"volume_molar": 14.76560617043766,
"formula_full": "Li1 Mg2 In1",
"formula_reduced": "LiMg2In",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0585225,
"spacegroup": 71
},
{
"id": "jvasp-118576",
"created_at": "2022-09-04T14:38:35.094327Z",
"updated_at": "2022-09-04T14:38:35.094354Z",
"structure_string": "K2 Se2\n1.0\n4.520912 -0.384668 -0.583535\n-0.631126 -4.508961 -1.826210\n1.456810 0.465716 -6.116374\nK Se\n2 2\ndirect\n-0.051383 0.115766 -0.132765 K\n0.706014 0.612587 0.365595 K\n0.415096 0.563434 0.935184 Se\n0.239498 0.164796 0.297782 Se\n",
"nsites": 4,
"nelements": 2,
"elements": [
"K",
"Se"
],
"chemical_system": "K-Se",
"density": 3.0782418377958214,
"density_atomic": 0.03140415480645364,
"volume": 127.37168137949664,
"volume_molar": 19.176254852629995,
"formula_full": "K2 Se2",
"formula_reduced": "KSe",
"formula_anonymous": "AB",
"energy_above_hull": 0.0585233416666666,
"spacegroup": 12
},
{
"id": "jvasp-17756",
"created_at": "2022-09-04T14:37:28.369276Z",
"updated_at": "2022-09-04T14:37:28.369306Z",
"structure_string": "Mg1 In3\n1.0\n4.663324 0.000000 -0.000000\n0.000000 4.663324 0.000000\n0.000000 0.000000 4.663324\nMg In\n1 3\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 In\n0.500000 0.500000 0.000000 In\n0.500000 0.000000 0.500000 In\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"In"
],
"chemical_system": "In-Mg",
"density": 6.038164692838076,
"density_atomic": 0.0394432978990606,
"volume": 101.4113984646113,
"volume_molar": 15.267842905558426,
"formula_full": "Mg1 In3",
"formula_reduced": "MgIn3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0585408333333333,
"spacegroup": 221
}
]
}