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=-nsites&page=585",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nsites&page=583",
"results": [
{
"id": "jvasp-50395",
"created_at": "2022-09-04T14:37:01.782817Z",
"updated_at": "2022-09-04T14:37:01.782837Z",
"structure_string": "Li10 Fe2 S8\n1.0\n5.810400 0.000000 0.000000\n0.000000 7.752833 0.000000\n0.000000 0.000000 7.871649\nLi Fe S\n10 2 8\ndirect\n0.252848 0.744743 0.211902 Li\n0.747152 0.755256 0.288098 Li\n0.209395 0.500000 0.500000 Li\n0.747152 0.244743 0.711902 Li\n0.747152 0.755256 0.711902 Li\n0.747152 0.244743 0.288098 Li\n0.252848 0.744743 0.788098 Li\n0.790605 0.000000 0.000000 Li\n0.252848 0.255256 0.211902 Li\n0.252848 0.255256 0.788098 Li\n0.771350 0.500000 0.000000 Fe\n0.228650 0.000000 0.500000 Fe\n0.446098 0.244541 0.500000 S\n0.987384 0.500000 0.240573 S\n0.553901 0.744541 0.000000 S\n0.553901 0.255459 0.000000 S\n0.987384 0.500000 0.759428 S\n0.012616 0.000000 0.740573 S\n0.446098 0.755459 0.500000 S\n0.012616 0.000000 0.259428 S\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Li",
"Fe",
"S"
],
"chemical_system": "Fe-Li-S",
"density": 2.0493402905351594,
"density_atomic": 0.056402429957529164,
"volume": 354.5946515967474,
"volume_molar": 10.677094523293858,
"formula_full": "Li10 Fe2 S8",
"formula_reduced": "Li5FeS4",
"formula_anonymous": "AB4C5",
"energy_above_hull": 1.61714855,
"spacegroup": 59
},
{
"id": "jvasp-50678",
"created_at": "2022-09-04T14:36:52.631792Z",
"updated_at": "2022-09-04T14:36:52.631812Z",
"structure_string": "Sb4 O4 F12\n1.0\n8.528462 0.000000 -0.000000\n-0.000000 8.528462 -0.000000\n0.000000 0.000000 3.761222\nSb O F\n4 4 12\ndirect\n0.642424 0.142424 0.749952 Sb\n0.142424 0.357576 0.250047 Sb\n0.857576 0.642424 0.250047 Sb\n0.357576 0.857576 0.749952 Sb\n0.618309 0.118309 0.249953 O\n0.118309 0.381691 0.750047 O\n0.881691 0.618309 0.750047 O\n0.381691 0.881691 0.249953 O\n0.876748 0.862800 0.250090 F\n0.376748 0.637200 0.749910 F\n0.637200 0.623252 0.250090 F\n0.102682 0.602682 0.250022 F\n0.897318 0.397318 0.250022 F\n0.862800 0.123252 0.749910 F\n0.623252 0.362800 0.749910 F\n0.123252 0.137200 0.250090 F\n0.137200 0.876748 0.749910 F\n0.397318 0.102682 0.749978 F\n0.362800 0.376748 0.250090 F\n0.602682 0.897318 0.749978 F\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Sb",
"O",
"F"
],
"chemical_system": "F-O-Sb",
"density": 4.728533054806536,
"density_atomic": 0.07310710568721351,
"volume": 273.5712187207818,
"volume_molar": 8.237421935106477,
"formula_full": "Sb4 O4 F12",
"formula_reduced": "SbOF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.3729720894999998,
"spacegroup": 136
},
{
"id": "jvasp-21188",
"created_at": "2022-09-04T14:36:51.518363Z",
"updated_at": "2022-09-04T14:36:51.518390Z",
"structure_string": "Ca4 Fe2 Ir2 O12\n1.0\n0.000000 5.304436 0.000064\n5.498936 0.000000 0.000000\n0.000000 -5.299505 -7.577540\nCa Fe Ir O\n4 2 2 12\ndirect\n0.265262 0.060105 0.249626 Ca\n0.734740 0.560105 0.250375 Ca\n0.265262 0.439896 0.749626 Ca\n0.734740 0.939896 0.750375 Ca\n0.000000 0.500000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.500001 0.500000 0.500000 Ir\n0.500001 0.000000 0.000000 Ir\n0.760447 0.208069 0.950982 O\n0.654943 0.694763 0.952775 O\n0.239556 0.708069 0.549018 O\n0.851789 0.975822 0.256917 O\n0.148214 0.024179 0.743084 O\n0.239555 0.791932 0.049018 O\n0.345060 0.305238 0.047226 O\n0.654942 0.805238 0.452775 O\n0.345060 0.194763 0.547226 O\n0.851789 0.524179 0.756917 O\n0.760446 0.291931 0.450982 O\n0.148213 0.475822 0.243084 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ca",
"Fe",
"Ir",
"O"
],
"chemical_system": "Ca-Fe-Ir-O",
"density": 6.3741466025327895,
"density_atomic": 0.09048728208800459,
"volume": 221.02553572720572,
"volume_molar": 6.655234438518209,
"formula_full": "Ca4 Fe2 Ir2 O12",
"formula_reduced": "Ca2FeIrO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.387645844000001,
"spacegroup": 14
},
{
"id": "jvasp-27509",
"created_at": "2022-09-04T14:36:51.511023Z",
"updated_at": "2022-09-04T14:36:51.511054Z",
"structure_string": "Er6 Ga2 S12\n1.0\n6.403530 0.000000 0.000000\n0.000000 8.221038 -1.871063\n0.000000 0.086312 8.430830\nEr Ga S\n6 2 12\ndirect\n0.745579 0.283523 0.085732 Er\n0.745579 0.914269 0.716477 Er\n0.245579 0.085731 0.283523 Er\n0.837628 0.402812 0.597188 Er\n0.337628 0.597188 0.402812 Er\n0.245579 0.716477 0.914269 Er\n0.212280 0.201874 0.798126 Ga\n0.712280 0.798126 0.201874 Ga\n0.028140 0.100956 0.564701 S\n0.528140 0.899044 0.435300 S\n0.063085 0.039354 0.960645 S\n0.543043 0.630571 0.694946 S\n0.043043 0.369429 0.305055 S\n0.543043 0.305054 0.369429 S\n0.043043 0.694946 0.630571 S\n0.566083 0.218719 0.781281 S\n0.066083 0.781281 0.218720 S\n0.563085 0.960645 0.039355 S\n0.528140 0.564701 0.100956 S\n0.028140 0.435299 0.899044 S\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Er",
"Ga",
"S"
],
"chemical_system": "Er-Ga-S",
"density": 5.702729038868788,
"density_atomic": 0.04495756849818094,
"volume": 444.8639165351933,
"volume_molar": 13.395165622099128,
"formula_full": "Er6 Ga2 S12",
"formula_reduced": "Er3GaS6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 1.6130702325,
"spacegroup": 36
},
{
"id": "jvasp-29450",
"created_at": "2022-09-04T14:37:01.624414Z",
"updated_at": "2022-09-04T14:37:01.624436Z",
"structure_string": "Ti2 Zn2 Bi4 O12\n1.0\n5.316929 -0.000000 0.000000\n0.000000 5.316929 0.000000\n-0.000000 -0.000000 9.637563\nTi Zn Bi O\n2 2 4 12\ndirect\n0.500000 0.500000 0.302232 Ti\n0.000000 0.000000 0.802223 Ti\n0.000000 0.000000 0.270503 Zn\n0.500000 0.500000 0.770487 Zn\n0.000000 0.500000 0.003683 Bi\n0.000000 0.500000 0.503684 Bi\n0.500000 0.000000 0.003683 Bi\n0.500000 0.000000 0.503684 Bi\n0.749258 0.749258 0.361154 O\n0.249257 0.750743 0.861150 O\n0.250743 0.749258 0.361154 O\n0.000000 0.000000 0.073217 O\n0.249257 0.249257 0.861150 O\n0.500000 0.500000 0.116097 O\n0.750743 0.750743 0.861150 O\n0.750743 0.249257 0.861150 O\n0.000000 0.000000 0.616089 O\n0.500000 0.500000 0.573202 O\n0.749258 0.250743 0.361154 O\n0.250743 0.250743 0.361154 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ti",
"Zn",
"Bi",
"O"
],
"chemical_system": "Bi-O-Ti-Zn",
"density": 7.645733902824564,
"density_atomic": 0.0734076030927977,
"volume": 272.45134233189907,
"volume_molar": 8.203701668868215,
"formula_full": "Ti2 Zn2 Bi4 O12",
"formula_reduced": "TiZn(BiO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.022145833333333,
"spacegroup": 107
},
{
"id": "jvasp-45399",
"created_at": "2022-09-04T14:36:51.489999Z",
"updated_at": "2022-09-04T14:36:51.490012Z",
"structure_string": "Sr4 P4 S12\n1.0\n0.000000 6.684582 0.008852\n7.579378 0.000000 0.000000\n0.000000 -6.387342 -9.434799\nSr P S\n4 4 12\ndirect\n0.708493 0.611762 0.749674 Sr\n0.291507 0.111761 0.750326 Sr\n0.291507 0.388239 0.250326 Sr\n0.708493 0.888239 0.249674 Sr\n0.370744 0.608818 0.933869 P\n0.629257 0.108818 0.566131 P\n0.629256 0.391182 0.066131 P\n0.370744 0.891182 0.433869 P\n0.782594 0.308222 0.963081 S\n0.217406 0.808222 0.536920 S\n0.137746 0.504111 0.738427 S\n0.862254 0.004111 0.761573 S\n0.862254 0.495889 0.261573 S\n0.405512 0.199643 0.057034 S\n0.594488 0.800357 0.942967 S\n0.405512 0.300357 0.557034 S\n0.782594 0.191778 0.463081 S\n0.594488 0.699643 0.442967 S\n0.137746 0.995889 0.238427 S\n0.217406 0.691778 0.036919 S\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Sr",
"P",
"S"
],
"chemical_system": "P-S-Sr",
"density": 2.987237089660951,
"density_atomic": 0.041877335844153235,
"volume": 477.5852999443452,
"volume_molar": 14.380429505858336,
"formula_full": "Sr4 P4 S12",
"formula_reduced": "SrPS3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.4767823619999998,
"spacegroup": 14
},
{
"id": "jvasp-103938",
"created_at": "2022-09-04T14:36:44.728857Z",
"updated_at": "2022-09-04T14:36:44.728871Z",
"structure_string": "Mg2 H4 C6 O8\n1.0\n4.144319 0.068919 1.199124\n0.255448 5.856466 0.356202\n0.198852 0.075296 7.628614\nMg H C O\n2 4 6 8\ndirect\n-0.008317 0.827526 0.441237 Mg\n-0.015584 0.797724 0.013001 Mg\n0.195552 0.298055 0.427522 H\n0.237109 0.269913 0.710067 H\n0.585713 0.393610 0.416651 H\n0.230082 0.314985 0.936906 H\n0.389907 0.309338 0.795158 C\n0.444080 0.317789 0.338621 C\n0.654293 0.119869 0.776802 C\n0.509046 0.546987 0.724818 C\n0.443242 0.496068 0.185311 C\n0.616088 0.086621 0.297284 C\n0.174507 0.620706 0.208665 O\n0.695013 0.529591 0.053570 O\n0.785038 0.564259 0.603348 O\n0.466185 0.907200 0.370931 O\n0.684878 0.021226 0.924829 O\n0.921800 0.063131 0.211402 O\n0.829199 0.071806 0.616062 O\n0.314453 0.717429 0.781979 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Mg",
"H",
"C",
"O"
],
"chemical_system": "C-H-Mg-O",
"density": 2.286252473630291,
"density_atomic": 0.10896771675965218,
"volume": 183.5405989474257,
"volume_molar": 5.526536610180526,
"formula_full": "Mg2 H4 C6 O8",
"formula_reduced": "MgH2C3O4",
"formula_anonymous": "AB2C3D4",
"energy_above_hull": 3.713805305,
"spacegroup": 1
},
{
"id": "jvasp-21305",
"created_at": "2022-09-04T14:36:51.424376Z",
"updated_at": "2022-09-04T14:36:51.424401Z",
"structure_string": "Zn2 Cu2 Si4 O12\n1.0\n5.142240 0.204599 1.280082\n1.556682 6.628526 0.500252\n0.253752 -0.167144 6.820450\nZn Cu Si O\n2 2 4 12\ndirect\n0.749999 0.234907 0.765093 Zn\n0.250000 0.765094 0.234907 Zn\n0.249998 0.105354 0.894648 Cu\n0.749998 0.894650 0.105352 Cu\n0.242365 0.216248 0.386869 Si\n0.257633 0.613132 0.783752 Si\n0.742365 0.386870 0.216247 Si\n0.757634 0.783753 0.613131 Si\n0.633554 0.968047 0.789713 O\n0.866445 0.210285 0.031954 O\n0.626754 0.615392 0.138559 O\n0.873244 0.861443 0.384608 O\n0.373244 0.384608 0.861441 O\n0.013845 0.618058 0.676443 O\n0.986153 0.381944 0.323557 O\n0.513846 0.676444 0.618058 O\n0.366444 0.031954 0.210286 O\n0.486154 0.323559 0.381942 O\n0.126755 0.138559 0.615392 O\n0.133555 0.789716 0.968046 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Zn",
"Cu",
"Si",
"O"
],
"chemical_system": "Cu-O-Si-Zn",
"density": 4.089919703532854,
"density_atomic": 0.0876133391017007,
"volume": 228.27574208516577,
"volume_molar": 6.873543254651621,
"formula_full": "Zn2 Cu2 Si4 O12",
"formula_reduced": "ZnCu(SiO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.028676905,
"spacegroup": 15
},
{
"id": "jvasp-59648",
"created_at": "2022-09-04T14:37:03.151187Z",
"updated_at": "2022-09-04T14:37:03.151217Z",
"structure_string": "Mn12 Si4 Ir4\n1.0\n6.350925 0.000000 0.000000\n0.000000 6.350925 0.000000\n-0.000000 -0.000000 6.350925\nMn Si Ir\n12 4 4\ndirect\n0.549415 0.630461 0.289289 Mn\n0.950586 0.369540 0.789289 Mn\n0.210711 0.450585 0.130461 Mn\n0.289289 0.549415 0.630461 Mn\n0.369540 0.789289 0.950586 Mn\n0.130461 0.210711 0.450585 Mn\n0.450585 0.130461 0.210711 Mn\n0.710712 0.049415 0.869540 Mn\n0.869540 0.710712 0.049415 Mn\n0.049415 0.869540 0.710712 Mn\n0.789289 0.950586 0.369540 Mn\n0.630461 0.289289 0.549415 Mn\n0.942471 0.557530 0.442471 Si\n0.557530 0.442471 0.942471 Si\n0.442471 0.942471 0.557530 Si\n0.057530 0.057530 0.057530 Si\n0.812463 0.312462 0.187538 Ir\n0.312462 0.187538 0.812463 Ir\n0.187538 0.812463 0.312462 Ir\n0.687539 0.687539 0.687539 Ir\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Mn",
"Si",
"Ir"
],
"chemical_system": "Ir-Mn-Si",
"density": 9.985973630084125,
"density_atomic": 0.07807626752710486,
"volume": 256.1597862379477,
"volume_molar": 7.713151448882159,
"formula_full": "Mn12 Si4 Ir4",
"formula_reduced": "Mn3SiIr",
"formula_anonymous": "ABC3",
"energy_above_hull": 4.3360682848275856,
"spacegroup": 198
},
{
"id": "jvasp-55618",
"created_at": "2022-09-04T14:36:44.956199Z",
"updated_at": "2022-09-04T14:36:44.956222Z",
"structure_string": "Sr4 Lu2 Bi2 O12\n1.0\n0.000000 5.891334 0.002603\n5.998500 0.000000 0.000000\n0.000000 -5.881086 -8.384524\nSr Lu Bi O\n4 2 2 12\ndirect\n0.239679 0.542923 0.250078 Sr\n0.760320 0.042923 0.249922 Sr\n0.239679 0.957077 0.750078 Sr\n0.760319 0.457077 0.749922 Sr\n0.500000 0.500000 0.000000 Lu\n0.499999 0.000000 0.500000 Lu\n0.000000 0.000000 0.000000 Bi\n-0.000001 0.500000 0.500000 Bi\n0.663103 0.470570 0.252579 O\n0.336897 0.970570 0.247421 O\n0.155035 0.709570 0.952312 O\n0.844963 0.209570 0.547688 O\n0.844963 0.290430 0.047688 O\n0.755774 0.794502 0.047033 O\n0.244224 0.205498 0.952967 O\n0.755774 0.705498 0.547033 O\n0.663102 0.029430 0.752579 O\n0.244225 0.294502 0.452967 O\n0.155036 0.790430 0.452312 O\n0.336896 0.529430 0.747421 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Sr",
"Lu",
"Bi",
"O"
],
"chemical_system": "Bi-Lu-O-Sr",
"density": 7.3458513803587575,
"density_atomic": 0.06751960446801089,
"volume": 296.21026600467576,
"volume_molar": 8.919099582186,
"formula_full": "Sr4 Lu2 Bi2 O12",
"formula_reduced": "Sr2LuBiO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.594471367,
"spacegroup": 14
},
{
"id": "jvasp-50974",
"created_at": "2022-09-04T14:37:01.786845Z",
"updated_at": "2022-09-04T14:37:01.786869Z",
"structure_string": "Lu4 Ti4 O12\n1.0\n5.234747 0.000000 0.000000\n-0.000000 5.630499 0.000000\n0.000000 0.000000 7.586246\nLu Ti O\n4 4 12\ndirect\n0.975840 0.425197 0.750000 Lu\n0.524161 0.925197 0.750000 Lu\n0.475840 0.074804 0.250000 Lu\n0.024161 0.574804 0.250000 Lu\n0.000000 0.000000 0.000000 Ti\n0.000000 0.000000 0.500000 Ti\n0.500000 0.500000 0.000000 Ti\n0.500000 0.500000 0.500000 Ti\n0.815318 0.693147 0.564098 O\n0.684683 0.193147 0.564098 O\n0.684683 0.193147 0.935903 O\n0.634719 0.445001 0.250000 O\n0.365282 0.554999 0.750000 O\n0.184683 0.306853 0.064097 O\n0.315318 0.806853 0.435903 O\n0.184683 0.306853 0.435903 O\n0.815318 0.693147 0.935903 O\n0.134719 0.054999 0.750000 O\n0.315318 0.806853 0.064097 O\n0.865282 0.945001 0.250000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Lu",
"Ti",
"O"
],
"chemical_system": "Lu-O-Ti",
"density": 8.04525627039104,
"density_atomic": 0.08944591102407806,
"volume": 223.59881822452647,
"volume_molar": 6.7327177855887586,
"formula_full": "Lu4 Ti4 O12",
"formula_reduced": "LuTiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.939040916666667,
"spacegroup": 62
},
{
"id": "jvasp-48591",
"created_at": "2022-09-04T14:37:03.122591Z",
"updated_at": "2022-09-04T14:37:03.122616Z",
"structure_string": "Li4 Ni4 O4 F8\n1.0\n0.000000 4.887302 0.008049\n4.845479 0.000000 0.000000\n0.000000 -4.636660 -8.204209\nLi Ni O F\n4 4 4 8\ndirect\n0.274503 0.969077 0.242251 Li\n0.725497 0.469077 0.257749 Li\n0.274503 0.530923 0.742251 Li\n0.725497 0.030923 0.757749 Li\n0.000000 0.500000 0.000000 Ni\n0.500000 0.500000 0.500000 Ni\n0.500000 0.000000 -0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n0.935726 0.107180 0.037944 O\n0.064274 0.607180 0.462056 O\n0.935726 0.392820 0.537944 O\n0.064274 0.892820 0.962056 O\n0.638449 0.410694 0.741220 F\n0.733028 0.857970 0.587799 F\n0.266972 0.357970 0.912201 F\n0.361550 0.910694 0.758780 F\n0.638449 0.089306 0.241220 F\n0.733028 0.642031 0.087799 F\n0.266972 0.142031 0.412201 F\n0.361550 0.589306 0.258780 F\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Ni",
"O",
"F"
],
"chemical_system": "F-Li-Ni-O",
"density": 4.093673496736093,
"density_atomic": 0.10303666751013643,
"volume": 194.10565659096517,
"volume_molar": 5.84465793151507,
"formula_full": "Li4 Ni4 O4 F8",
"formula_reduced": "LiNiOF2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.4541912929999998,
"spacegroup": 14
}
]
}