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=-formula_anonymous&page=251",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_anonymous&page=249",
"results": [
{
"id": "jvasp-116706",
"created_at": "2022-09-04T14:38:43.998609Z",
"updated_at": "2022-09-04T14:38:43.998625Z",
"structure_string": "Cr4 In1 Ag1 Se8\n1.0\n6.619830 0.000000 3.821961\n2.206610 6.241236 3.821961\n-0.000000 -0.000000 7.643921\nCr In Ag Se\n4 1 1 8\ndirect\n0.379082 0.379082 0.379082 Cr\n0.379082 0.862754 0.379081 Cr\n0.862753 0.379082 0.379082 Cr\n0.379082 0.379082 0.862753 Cr\n0.000000 0.000000 0.000000 In\n0.750000 0.750001 0.750000 Ag\n0.140307 0.140307 0.140307 Se\n0.140307 0.579077 0.140307 Se\n0.579077 0.140307 0.140307 Se\n0.140307 0.140307 0.579077 Se\n0.610986 0.610986 0.610985 Se\n0.610986 0.167044 0.610985 Se\n0.167044 0.610986 0.610985 Se\n0.610986 0.610986 0.167044 Se\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Cr",
"In",
"Ag",
"Se"
],
"chemical_system": "Ag-Cr-In-Se",
"density": 5.585773655508156,
"density_atomic": 0.04432966038333518,
"volume": 315.81563853493924,
"volume_molar": 13.584901639047743,
"formula_full": "Cr4 In1 Ag1 Se8",
"formula_reduced": "Cr4InAgSe8",
"formula_anonymous": "ABC4D8",
"energy_above_hull": 2.570563125952382,
"spacegroup": 216
},
{
"id": "jvasp-117012",
"created_at": "2022-09-04T14:38:46.042838Z",
"updated_at": "2022-09-04T14:38:46.042850Z",
"structure_string": "Na2 Cd2 Rh8 O16\n1.0\n3.087859 -0.000000 0.000000\n0.000000 9.101029 0.065857\n-0.000000 -0.013475 10.890796\nNa Cd Rh O\n2 2 8 16\ndirect\n0.250000 0.734946 0.842160 Na\n0.750000 0.265055 0.157841 Na\n0.250000 0.236507 0.660922 Cd\n0.750000 0.763494 0.339079 Cd\n0.750000 0.410426 0.901557 Rh\n0.750000 0.908213 0.601326 Rh\n0.250000 0.091788 0.398674 Rh\n0.250000 0.589575 0.098444 Rh\n0.750000 0.949297 0.115704 Rh\n0.250000 0.557336 0.617809 Rh\n0.250000 0.050703 0.884297 Rh\n0.750000 0.442665 0.382191 Rh\n0.250000 0.385501 0.024529 O\n0.250000 0.804465 0.163297 O\n0.250000 0.305652 0.336205 O\n0.750000 0.116797 0.526987 O\n0.750000 0.614499 0.975472 O\n0.250000 0.883204 0.473014 O\n0.750000 0.548484 0.214340 O\n0.250000 0.586216 0.430520 O\n0.250000 0.451517 0.785660 O\n0.250000 0.968522 0.708928 O\n0.750000 0.413785 0.569481 O\n0.750000 0.914720 0.931456 O\n0.750000 0.694348 0.663796 O\n0.250000 0.085281 0.068545 O\n0.750000 0.031478 0.291073 O\n0.750000 0.195536 0.836703 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Na",
"Cd",
"Rh",
"O"
],
"chemical_system": "Cd-Na-O-Rh",
"density": 7.324583873322987,
"density_atomic": 0.0914842981413032,
"volume": 306.06345098425805,
"volume_molar": 6.582704226137724,
"formula_full": "Na2 Cd2 Rh8 O16",
"formula_reduced": "NaCd(RhO2)4",
"formula_anonymous": "ABC4D8",
"energy_above_hull": 2.416032053571428,
"spacegroup": 11
},
{
"id": "jvasp-116675",
"created_at": "2022-09-04T14:38:44.365497Z",
"updated_at": "2022-09-04T14:38:44.365526Z",
"structure_string": "Mn1 Cd1 Ga4 Se8\n1.0\n5.734072 -0.000000 0.000000\n0.000000 5.734072 0.000000\n-0.000000 -0.000000 10.968993\nMn Cd Ga Se\n1 1 4 8\ndirect\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 -0.000000 Ga\n0.000000 0.000000 0.500000 Ga\n-0.000000 0.500000 0.251888 Ga\n0.500000 0.000000 0.748111 Ga\n0.253568 0.766957 0.367230 Se\n0.748050 0.279867 0.858264 Se\n0.746432 0.233042 0.367230 Se\n0.251949 0.720133 0.858264 Se\n0.720133 0.748050 0.141736 Se\n0.233042 0.253568 0.632770 Se\n0.279867 0.251949 0.141736 Se\n0.766957 0.746432 0.632770 Se\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Mn",
"Cd",
"Ga",
"Se"
],
"chemical_system": "Cd-Ga-Mn-Se",
"density": 4.962985489418309,
"density_atomic": 0.03881816418606094,
"volume": 360.6559015232154,
"volume_molar": 15.513718606410727,
"formula_full": "Mn1 Cd1 Ga4 Se8",
"formula_reduced": "MnCd(GaSe2)4",
"formula_anonymous": "ABC4D8",
"energy_above_hull": 0.9916059446223312,
"spacegroup": 81
},
{
"id": "jvasp-122476",
"created_at": "2022-09-04T14:38:53.985505Z",
"updated_at": "2022-09-04T14:38:53.985527Z",
"structure_string": "Mg1 Fe4 Co1 O8\n1.0\n4.987490 0.082878 3.038089\n1.747132 4.672200 3.038089\n0.117380 0.082878 5.838773\nMg Fe Co O\n1 4 1 8\ndirect\n0.001380 0.001380 0.001380 Mg\n0.626836 0.626837 0.626836 Fe\n0.502920 -0.002217 -0.002218 Fe\n-0.002218 -0.002217 0.502920 Fe\n-0.002218 0.502920 -0.002217 Fe\n0.370644 0.370645 0.370645 Co\n0.230569 0.749906 0.749905 O\n0.749905 0.749906 0.230570 O\n0.749905 0.230570 0.749905 O\n0.752538 0.752539 0.752538 O\n0.774101 0.251399 0.251399 O\n0.251398 0.251399 0.774101 O\n0.251398 0.774102 0.251399 O\n0.242838 0.242838 0.242838 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Mg",
"Fe",
"Co",
"O"
],
"chemical_system": "Co-Fe-Mg-O",
"density": 5.43605415787874,
"density_atomic": 0.10545316179373392,
"volume": 132.76036262795003,
"volume_molar": 5.710725650672562,
"formula_full": "Mg1 Fe4 Co1 O8",
"formula_reduced": "MgFe4CoO8",
"formula_anonymous": "ABC4D8",
"energy_above_hull": 3.023545710714286,
"spacegroup": 160
},
{
"id": "jvasp-9369",
"created_at": "2022-09-04T14:37:27.388734Z",
"updated_at": "2022-09-04T14:37:27.388743Z",
"structure_string": "Ba1 Ca1 Ni4 O8\n1.0\n2.656795 -4.601705 0.000000\n2.656795 4.601705 0.000000\n0.000000 -0.000000 7.655631\nBa Ca Ni O\n1 1 4 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Ca\n0.333334 0.666668 0.760793 Ni\n0.666668 0.333334 0.760793 Ni\n0.333334 0.666668 0.239207 Ni\n0.666668 0.333334 0.239207 Ni\n0.334621 0.334621 0.701852 O\n0.665380 0.000001 0.701852 O\n0.000001 0.665380 0.701852 O\n0.665381 0.665381 0.298148 O\n0.000000 0.334620 0.298148 O\n0.334620 0.000000 0.298148 O\n0.333334 0.666668 0.000000 O\n0.666668 0.333334 0.000000 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Ba",
"Ca",
"Ni",
"O"
],
"chemical_system": "Ba-Ca-Ni-O",
"density": 4.791757220500489,
"density_atomic": 0.0747894308672534,
"volume": 187.1922253941086,
"volume_molar": 8.052128075006918,
"formula_full": "Ba1 Ca1 Ni4 O8",
"formula_reduced": "BaCa(NiO2)4",
"formula_anonymous": "ABC4D8",
"energy_above_hull": 1.904415285,
"spacegroup": 162
},
{
"id": "jvasp-9368",
"created_at": "2022-09-04T14:37:28.486596Z",
"updated_at": "2022-09-04T14:37:28.486615Z",
"structure_string": "Ba1 Zn1 Ni4 O8\n1.0\n2.616995 -4.532769 0.000000\n2.616995 4.532769 0.000000\n-0.000000 0.000000 7.107449\nBa Zn Ni O\n1 1 4 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Zn\n0.333332 0.666666 0.741522 Ni\n0.666666 0.333332 0.741522 Ni\n0.333332 0.666666 0.258478 Ni\n0.666666 0.333332 0.258478 Ni\n0.319842 0.319842 0.680023 O\n0.680157 -0.000001 0.680023 O\n-0.000001 0.680157 0.680023 O\n0.680156 0.680156 0.319977 O\n-0.000000 0.319843 0.319977 O\n0.319843 -0.000000 0.319977 O\n0.333332 0.666666 0.000000 O\n0.666666 0.333332 0.000000 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Ba",
"Zn",
"Ni",
"O"
],
"chemical_system": "Ba-Ni-O-Zn",
"density": 5.568973680931094,
"density_atomic": 0.08302670599727702,
"volume": 168.6204436492898,
"volume_molar": 7.253257476211937,
"formula_full": "Ba1 Zn1 Ni4 O8",
"formula_reduced": "BaZn(NiO2)4",
"formula_anonymous": "ABC4D8",
"energy_above_hull": 1.8243024264285712,
"spacegroup": 162
},
{
"id": "jvasp-58135",
"created_at": "2022-09-04T14:37:38.495155Z",
"updated_at": "2022-09-04T14:37:38.495188Z",
"structure_string": "Ba1 Ti4 Zn1 O8\n1.0\n2.703170 -4.682027 0.000000\n2.703170 4.682027 0.000000\n0.000000 -0.000000 7.446853\nBa Ti Zn O\n1 4 1 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.333333 0.666667 0.746223 Ti\n0.666667 0.333333 0.746223 Ti\n0.333333 0.666667 0.253776 Ti\n0.666667 0.333333 0.253776 Ti\n0.000000 0.000000 0.500000 Zn\n0.683182 -0.000000 0.674386 O\n-0.000000 0.683182 0.674386 O\n0.316819 0.316819 0.674386 O\n0.316819 -0.000000 0.325614 O\n0.683181 0.683181 0.325614 O\n-0.000000 0.316819 0.325614 O\n0.333333 0.666667 0.000000 O\n0.666667 0.333333 0.000000 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Ba",
"Ti",
"Zn",
"O"
],
"chemical_system": "Ba-O-Ti-Zn",
"density": 4.600184498377133,
"density_atomic": 0.07427078021773856,
"volume": 188.49943354514932,
"volume_molar": 8.108358014208248,
"formula_full": "Ba1 Ti4 Zn1 O8",
"formula_reduced": "BaTi4ZnO8",
"formula_anonymous": "ABC4D8",
"energy_above_hull": 2.7015612645238094,
"spacegroup": 162
},
{
"id": "jvasp-9296",
"created_at": "2022-09-04T14:37:27.206885Z",
"updated_at": "2022-09-04T14:37:27.206911Z",
"structure_string": "Ba1 Zn1 Sn4 O8\n1.0\n2.988763 -5.176690 -0.000000\n2.988763 5.176690 -0.000000\n-0.000000 -0.000000 6.928652\nBa Zn Sn O\n1 1 4 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Zn\n0.333332 0.666666 0.708187 Sn\n0.666666 0.333332 0.708187 Sn\n0.333332 0.666666 0.291812 Sn\n0.666666 0.333332 0.291812 Sn\n0.289789 0.289789 0.696084 O\n0.710210 -0.000000 0.696084 O\n-0.000000 0.710210 0.696084 O\n0.710210 0.710210 0.303916 O\n-0.000000 0.289789 0.303916 O\n0.289789 -0.000000 0.303916 O\n0.333332 0.666666 0.000000 O\n0.666666 0.333332 0.000000 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Ba",
"Zn",
"Sn",
"O"
],
"chemical_system": "Ba-O-Sn-Zn",
"density": 6.239225000449922,
"density_atomic": 0.06529886827956005,
"volume": 214.39881530660924,
"volume_molar": 9.222427461097451,
"formula_full": "Ba1 Zn1 Sn4 O8",
"formula_reduced": "BaZn(SnO2)4",
"formula_anonymous": "ABC4D8",
"energy_above_hull": 1.572267226428571,
"spacegroup": 162
},
{
"id": "jvasp-9363",
"created_at": "2022-09-04T14:37:20.223125Z",
"updated_at": "2022-09-04T14:37:20.223155Z",
"structure_string": "Ba1 Zn1 Fe4 O8\n1.0\n2.689628 -4.658573 -0.000000\n2.689628 4.658573 -0.000000\n-0.000000 -0.000000 7.246895\nBa Zn Fe O\n1 1 4 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Zn\n0.333333 0.666667 0.740883 Fe\n0.666667 0.333333 0.740883 Fe\n0.333333 0.666667 0.259118 Fe\n0.666667 0.333333 0.259118 Fe\n0.315330 0.315330 0.676863 O\n0.684670 0.000000 0.676863 O\n0.000000 0.684670 0.676863 O\n0.684671 0.684671 0.323138 O\n0.000000 0.315330 0.323138 O\n0.315330 0.000000 0.323138 O\n0.333333 0.666667 0.000000 O\n0.666667 0.333333 0.000000 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Ba",
"Zn",
"Fe",
"O"
],
"chemical_system": "Ba-Fe-O-Zn",
"density": 5.06662706590097,
"density_atomic": 0.07709051528241262,
"volume": 181.60470128799295,
"volume_molar": 7.811779098814621,
"formula_full": "Ba1 Zn1 Fe4 O8",
"formula_reduced": "BaZn(FeO2)4",
"formula_anonymous": "ABC4D8",
"energy_above_hull": 2.642876883571428,
"spacegroup": 162
},
{
"id": "jvasp-23483",
"created_at": "2022-09-04T14:37:32.900272Z",
"updated_at": "2022-09-04T14:37:32.900312Z",
"structure_string": "Cr4 In1 Cu1 Se8\n1.0\n6.334315 -0.000000 3.657119\n2.111439 5.972049 3.657119\n-0.000000 -0.000000 7.314236\nCr In Cu Se\n4 1 1 8\ndirect\n0.192874 0.602375 0.602375 Cr\n0.602376 0.602375 0.192874 Cr\n0.602376 0.192874 0.602375 Cr\n0.602376 0.602375 0.602375 Cr\n0.000000 0.000000 0.000000 In\n0.250000 0.250000 0.250000 Cu\n0.377317 0.377316 0.377316 Se\n0.856589 0.430236 0.856589 Se\n0.856589 0.856588 0.430236 Se\n0.856589 0.856588 0.856589 Se\n0.868052 0.377316 0.377316 Se\n0.377317 0.868052 0.377316 Se\n0.430237 0.856588 0.856589 Se\n0.377317 0.377316 0.868052 Se\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Cr",
"In",
"Cu",
"Se"
],
"chemical_system": "Cr-Cu-In-Se",
"density": 6.10965944276973,
"density_atomic": 0.050598314194213456,
"volume": 276.6890601584721,
"volume_molar": 11.901860478760193,
"formula_full": "Cr4 In1 Cu1 Se8",
"formula_reduced": "Cr4InCuSe8",
"formula_anonymous": "ABC4D8",
"energy_above_hull": 2.5676397823809527,
"spacegroup": 216
},
{
"id": "jvasp-9362",
"created_at": "2022-09-04T14:37:20.000270Z",
"updated_at": "2022-09-04T14:37:20.000294Z",
"structure_string": "Ba1 V4 Zn1 O8\n1.0\n2.700417 -4.677259 -0.000000\n2.700417 4.677259 -0.000000\n0.000000 0.000000 7.212213\nBa V Zn O\n1 4 1 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.333334 0.666668 0.742097 V\n0.666668 0.333334 0.742097 V\n0.333334 0.666668 0.257903 V\n0.666668 0.333334 0.257903 V\n0.000000 0.000000 0.500000 Zn\n0.318567 0.318567 0.677102 O\n0.681434 0.000000 0.677102 O\n0.000000 0.681434 0.677102 O\n0.681434 0.681434 0.322898 O\n0.000000 0.318567 0.322898 O\n0.318567 0.000000 0.322898 O\n0.333334 0.666668 0.000000 O\n0.666668 0.333334 0.000000 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Ba",
"V",
"Zn",
"O"
],
"chemical_system": "Ba-O-V-Zn",
"density": 4.871623751808962,
"density_atomic": 0.07684351866129115,
"volume": 182.1884297322307,
"volume_molar": 7.836888347791874,
"formula_full": "Ba1 V4 Zn1 O8",
"formula_reduced": "BaV4ZnO8",
"formula_anonymous": "ABC4D8",
"energy_above_hull": 2.9189057978571427,
"spacegroup": 162
},
{
"id": "jvasp-9366",
"created_at": "2022-09-04T14:37:27.978486Z",
"updated_at": "2022-09-04T14:37:27.978514Z",
"structure_string": "Ba1 Ca1 Co4 O8\n1.0\n2.641549 -4.575296 -0.000000\n2.641549 4.575296 0.000000\n-0.000000 -0.000000 7.749837\nBa Ca Co O\n1 1 4 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Ca\n0.333333 0.666667 0.766200 Co\n0.666667 0.333333 0.766200 Co\n0.333333 0.666667 0.233801 Co\n0.666667 0.333333 0.233801 Co\n0.660923 -0.000000 0.697824 O\n-0.000000 0.660923 0.697824 O\n0.339078 0.339078 0.697824 O\n0.339078 -0.000000 0.302177 O\n0.660922 0.660922 0.302177 O\n-0.000000 0.339078 0.302177 O\n0.333333 0.666667 0.000000 O\n0.666667 0.333333 0.000000 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Ba",
"Ca",
"Co",
"O"
],
"chemical_system": "Ba-Ca-Co-O",
"density": 4.796811691251781,
"density_atomic": 0.0747356135999704,
"volume": 187.32702289615705,
"volume_molar": 8.057926428802862,
"formula_full": "Ba1 Ca1 Co4 O8",
"formula_reduced": "BaCa(CoO2)4",
"formula_anonymous": "ABC4D8",
"energy_above_hull": 2.687344856428571,
"spacegroup": 162
}
]
}