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=4627",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=4625",
"results": [
{
"id": "jvasp-79370",
"created_at": "2022-09-04T14:37:02.773751Z",
"updated_at": "2022-09-04T14:37:02.773782Z",
"structure_string": "Zn3 Ni1\n1.0\n-1.832128 1.832128 3.923995\n1.832128 -1.832128 3.923995\n1.832128 1.832128 -3.923995\nZn Ni\n3 1\ndirect\n0.750000 0.250000 0.500001 Zn\n0.250000 0.750000 0.500001 Zn\n0.499999 0.499999 0.000000 Zn\n0.000000 0.000000 0.000000 Ni\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Zn",
"Ni"
],
"chemical_system": "Ni-Zn",
"density": 8.03440330060884,
"density_atomic": 0.07592065227513467,
"volume": 52.6865863257351,
"volume_molar": 7.9321509754366994,
"formula_full": "Zn3 Ni1",
"formula_reduced": "Zn3Ni",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-107486",
"created_at": "2022-09-04T14:37:02.757360Z",
"updated_at": "2022-09-04T14:37:02.757388Z",
"structure_string": "K2 Pd1 Br6\n1.0\n6.271853 -0.000000 3.621056\n2.090618 5.913160 3.621056\n-0.000000 -0.000000 7.242113\nK Pd Br\n2 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750001 K\n0.000000 0.000000 0.000000 Pd\n0.755239 0.244761 0.244762 Br\n0.244761 0.755239 0.755239 Br\n0.244761 0.755239 0.244762 Br\n0.755239 0.244761 0.755239 Br\n0.244761 0.244761 0.755239 Br\n0.755239 0.755239 0.244762 Br\n",
"nsites": 9,
"nelements": 3,
"elements": [
"K",
"Pd",
"Br"
],
"chemical_system": "Br-K-Pd",
"density": 4.10547046995046,
"density_atomic": 0.03350901881322935,
"volume": 268.58440857858847,
"volume_molar": 17.971701271129014,
"formula_full": "K2 Pd1 Br6",
"formula_reduced": "K2PdBr6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-12948",
"created_at": "2022-09-04T14:37:04.045566Z",
"updated_at": "2022-09-04T14:37:04.045589Z",
"structure_string": "K4 Rb4 S4\n1.0\n4.983263 0.000000 0.000000\n-0.000000 8.175303 0.000000\n0.000000 0.000000 9.416222\nK Rb S\n4 4 4\ndirect\n0.750000 0.648923 0.424856 K\n0.250000 0.351076 0.575144 K\n0.750000 0.148924 0.075144 K\n0.250000 0.851076 0.924855 K\n0.250000 0.978164 0.319830 Rb\n0.750000 0.021836 0.680170 Rb\n0.250000 0.478164 0.180170 Rb\n0.750000 0.521836 0.819830 Rb\n0.250000 0.736798 0.608830 S\n0.750000 0.263202 0.391170 S\n0.250000 0.236798 0.891170 S\n0.750000 0.763202 0.108830 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
"K",
"Rb",
"S"
],
"chemical_system": "K-Rb-S",
"density": 2.7120190229895016,
"density_atomic": 0.031281451076863726,
"volume": 383.6139177339953,
"volume_molar": 19.2514750840765,
"formula_full": "K4 Rb4 S4",
"formula_reduced": "KRbS",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-8347",
"created_at": "2022-09-04T14:37:02.772755Z",
"updated_at": "2022-09-04T14:37:02.772785Z",
"structure_string": "Ca1 Ni1 F6\n1.0\n4.568630 0.119713 3.092164\n1.703358 4.240905 3.092164\n0.172187 0.119713 5.514001\nCa Ni F\n1 1 6\ndirect\n0.500001 0.500000 0.499999 Ca\n0.000000 0.000000 0.000000 Ni\n0.380814 0.043742 0.799102 F\n0.043743 0.799103 0.380812 F\n0.200899 0.619187 0.956256 F\n0.956258 0.200897 0.619186 F\n0.619187 0.956258 0.200896 F\n0.799102 0.380813 0.043742 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ca",
"Ni",
"F"
],
"chemical_system": "Ca-F-Ni",
"density": 3.4483301268055033,
"density_atomic": 0.07808291730473337,
"volume": 102.45518835801799,
"volume_molar": 7.7124945735537205,
"formula_full": "Ca1 Ni1 F6",
"formula_reduced": "CaNiF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 148
},
{
"id": "jvasp-19072",
"created_at": "2022-09-04T14:37:03.170028Z",
"updated_at": "2022-09-04T14:37:03.170048Z",
"structure_string": "Na4 Zn4 F12\n1.0\n5.419848 -0.000000 0.000000\n0.000000 5.647832 0.000000\n0.000000 0.000000 7.808711\nNa Zn F\n4 4 12\ndirect\n0.017744 0.938298 0.750000 Na\n0.517744 0.561701 0.250000 Na\n0.482257 0.438298 0.750000 Na\n0.982257 0.061701 0.250000 Na\n0.500000 0.000000 0.500000 Zn\n0.000000 0.500000 0.500000 Zn\n0.000000 0.500000 0.000000 Zn\n0.500000 0.000000 0.000000 Zn\n0.612300 0.042114 0.750000 F\n0.112300 0.457886 0.250000 F\n0.693385 0.301703 0.058507 F\n0.193384 0.198297 0.941493 F\n0.806616 0.801702 0.441493 F\n0.193384 0.198297 0.558507 F\n0.306616 0.698297 0.941493 F\n0.806616 0.801702 0.058507 F\n0.387700 0.957886 0.250000 F\n0.693385 0.301703 0.441493 F\n0.306616 0.698297 0.558507 F\n0.887700 0.542114 0.750000 F\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Na",
"Zn",
"F"
],
"chemical_system": "F-Na-Zn",
"density": 4.0402411157193585,
"density_atomic": 0.08367231194522509,
"volume": 239.02769667811643,
"volume_molar": 7.1972921746710075,
"formula_full": "Na4 Zn4 F12",
"formula_reduced": "NaZnF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-107105",
"created_at": "2022-09-04T14:37:02.723692Z",
"updated_at": "2022-09-04T14:37:02.723736Z",
"structure_string": "K2 Tl1 In1 Cl6\n1.0\n6.714741 -0.000000 3.876757\n2.238247 6.330718 3.876757\n-0.000000 -0.000000 7.753515\nK Tl In Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 In\n0.769245 0.230755 0.230755 Cl\n0.230755 0.230755 0.769244 Cl\n0.230756 0.769245 0.769244 Cl\n0.230756 0.769245 0.230755 Cl\n0.769245 0.230755 0.769245 Cl\n0.769245 0.769245 0.230755 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Tl",
"In",
"Cl"
],
"chemical_system": "Cl-In-K-Tl",
"density": 3.0738351671039945,
"density_atomic": 0.03034024855889743,
"volume": 329.5951903817693,
"volume_molar": 19.84868630298013,
"formula_full": "K2 Tl1 In1 Cl6",
"formula_reduced": "K2TlInCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-2301",
"created_at": "2022-09-04T14:37:02.723007Z",
"updated_at": "2022-09-04T14:37:02.723039Z",
"structure_string": "Sm2 S2 F2\n1.0\n3.877006 0.000000 0.000000\n0.000000 3.877006 0.000000\n0.000000 0.000000 6.903437\nSm S F\n2 2 2\ndirect\n0.000000 0.500000 0.771585 Sm\n0.500000 0.000000 0.228415 Sm\n0.500000 0.000000 0.646094 S\n0.000000 0.500000 0.353906 S\n0.500000 0.500000 0.000000 F\n0.000000 0.000000 0.000000 F\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sm",
"S",
"F"
],
"chemical_system": "F-S-Sm",
"density": 6.446599800946383,
"density_atomic": 0.057821977220127614,
"volume": 103.76677326612453,
"volume_molar": 10.41496858032678,
"formula_full": "Sm2 S2 F2",
"formula_reduced": "SmSF",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 129
},
{
"id": "jvasp-107106",
"created_at": "2022-09-04T14:37:02.722121Z",
"updated_at": "2022-09-04T14:37:02.722146Z",
"structure_string": "K2 Na1 Nd1 I6\n1.0\n7.496751 -0.000000 4.328251\n2.498917 7.068005 4.328251\n-0.000000 -0.000000 8.656503\nK Na Nd I\n2 1 1 6\ndirect\n0.750000 0.749999 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Nd\n0.748616 0.251384 0.251384 I\n0.251384 0.251384 0.748615 I\n0.251385 0.748615 0.748615 I\n0.251385 0.748615 0.251384 I\n0.748616 0.251384 0.748615 I\n0.748616 0.748615 0.251384 I\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Na",
"Nd",
"I"
],
"chemical_system": "I-K-Na-Nd",
"density": 3.64505169536538,
"density_atomic": 0.02180156057024435,
"volume": 458.68276116198786,
"volume_molar": 27.622521519029522,
"formula_full": "K2 Na1 Nd1 I6",
"formula_reduced": "K2NaNdI6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-15383",
"created_at": "2022-09-04T14:37:02.601726Z",
"updated_at": "2022-09-04T14:37:02.601746Z",
"structure_string": "Ca1 Cu2 Ge2\n1.0\n3.891167 0.000000 -1.459173\n-0.547184 3.852502 -1.459173\n-0.004032 -0.004645 5.907110\nCa Cu Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.750001 0.250001 0.500001 Cu\n0.250001 0.750000 0.500001 Cu\n0.378054 0.378054 0.756108 Ge\n0.621948 0.621947 0.243894 Ge\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ca",
"Cu",
"Ge"
],
"chemical_system": "Ca-Cu-Ge",
"density": 5.862604558443993,
"density_atomic": 0.05649772744978105,
"volume": 88.49913484474811,
"volume_molar": 10.65908494346588,
"formula_full": "Ca1 Cu2 Ge2",
"formula_reduced": "Ca(CuGe)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-18720",
"created_at": "2022-09-04T14:36:59.318150Z",
"updated_at": "2022-09-04T14:36:59.318181Z",
"structure_string": "Y2 Hg6\n1.0\n3.315611 -5.742806 -0.000000\n3.315611 5.742806 -0.000000\n0.000000 -0.000000 4.995906\nY Hg\n2 6\ndirect\n0.666667 0.333333 0.750001 Y\n0.333333 0.666667 0.250000 Y\n0.666811 0.833406 0.750001 Hg\n0.333189 0.166594 0.250000 Hg\n0.833406 0.166594 0.250000 Hg\n0.166594 0.333189 0.750001 Hg\n0.166594 0.833406 0.750001 Hg\n0.833406 0.666811 0.250000 Hg\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Y",
"Hg"
],
"chemical_system": "Hg-Y",
"density": 12.056503948044483,
"density_atomic": 0.04204922692676205,
"volume": 190.2532004674843,
"volume_molar": 14.321644415696104,
"formula_full": "Y2 Hg6",
"formula_reduced": "YHg3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-24608",
"created_at": "2022-09-04T14:37:04.119122Z",
"updated_at": "2022-09-04T14:37:04.119136Z",
"structure_string": "Al2 Tl4 F10\n1.0\n6.226199 0.618322 0.000000\n-0.620095 6.226022 0.000000\n0.000000 0.000000 7.541177\nAl Tl F\n2 4 10\ndirect\n0.000000 0.000000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.499678 0.998941 0.750000 Tl\n0.500321 0.001059 0.250000 Tl\n0.998941 0.499678 0.750000 Tl\n0.001058 0.500321 0.250000 Tl\n0.794882 0.794882 0.498844 F\n0.205083 0.794917 0.000000 F\n0.998958 0.998958 0.750000 F\n0.794917 0.205083 0.000000 F\n0.794917 0.205083 0.500000 F\n0.205083 0.794917 0.500000 F\n0.205117 0.205117 0.501157 F\n0.794882 0.794882 0.001156 F\n0.205117 0.205117 0.998844 F\n0.001041 0.001041 0.250000 F\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Al",
"Tl",
"F"
],
"chemical_system": "Al-F-Tl",
"density": 5.970542090127939,
"density_atomic": 0.05419668299984399,
"volume": 295.2210193388783,
"volume_molar": 11.111640836058795,
"formula_full": "Al2 Tl4 F10",
"formula_reduced": "AlTl2F5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 0.0,
"spacegroup": 123
},
{
"id": "jvasp-102054",
"created_at": "2022-09-04T14:36:59.215843Z",
"updated_at": "2022-09-04T14:36:59.215862Z",
"structure_string": "Rb3 Ga1 Br6\n1.0\n6.967025 0.000000 4.022414\n2.322341 6.568575 4.022414\n-0.000000 -0.000000 8.044828\nRb Ga Br\n3 1 6\ndirect\n0.750001 0.749999 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Ga\n0.776274 0.223727 0.223726 Br\n0.223727 0.223727 0.776273 Br\n0.223727 0.776272 0.776273 Br\n0.223727 0.776272 0.223727 Br\n0.776274 0.223727 0.776272 Br\n0.776274 0.776272 0.223726 Br\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Rb",
"Ga",
"Br"
],
"chemical_system": "Br-Ga-Rb",
"density": 3.6333440140236553,
"density_atomic": 0.027162185121521014,
"volume": 368.15889278645875,
"volume_molar": 22.171046744058035,
"formula_full": "Rb3 Ga1 Br6",
"formula_reduced": "Rb3GaBr6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 225
}
]
}