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=-spacegroup&page=475",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=473",
"results": [
{
"id": "jvasp-102366",
"created_at": "2022-09-04T14:36:59.089120Z",
"updated_at": "2022-09-04T14:36:59.089146Z",
"structure_string": "K3 Pr1 Cl6\n1.0\n6.900229 -0.000000 3.983849\n2.300076 6.505599 3.983849\n-0.000000 -0.000000 7.967699\nK Pr Cl\n3 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Pr\n0.757778 0.242222 0.242222 Cl\n0.242222 0.242222 0.757778 Cl\n0.242222 0.757778 0.757778 Cl\n0.242222 0.757778 0.242222 Cl\n0.757778 0.242222 0.757778 Cl\n0.757778 0.757778 0.242222 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
"K",
"Pr",
"Cl"
],
"chemical_system": "Cl-K-Pr",
"density": 2.186316471082788,
"density_atomic": 0.027958655742071594,
"volume": 357.670987198151,
"volume_molar": 21.539450306754233,
"formula_full": "K3 Pr1 Cl6",
"formula_reduced": "K3PrCl6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-107107",
"created_at": "2022-09-04T14:36:59.216320Z",
"updated_at": "2022-09-04T14:36:59.216339Z",
"structure_string": "K2 Li1 Sb1 Cl6\n1.0\n6.291674 -0.000000 3.632500\n2.097225 5.931847 3.632500\n-0.000000 -0.000000 7.264999\nK Li Sb Cl\n2 1 1 6\ndirect\n0.749999 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.499999 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Sb\n0.743191 0.256809 0.256809 Cl\n0.256808 0.256809 0.743192 Cl\n0.256808 0.743192 0.743192 Cl\n0.256808 0.743192 0.256809 Cl\n0.743191 0.256809 0.743192 Cl\n0.743190 0.743192 0.256809 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Li",
"Sb",
"Cl"
],
"chemical_system": "Cl-K-Li-Sb",
"density": 2.5698573194147922,
"density_atomic": 0.03688147560762838,
"volume": 271.1388260704962,
"volume_molar": 16.328361760976858,
"formula_full": "K2 Li1 Sb1 Cl6",
"formula_reduced": "K2LiSbCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-105162",
"created_at": "2022-09-04T14:36:59.357403Z",
"updated_at": "2022-09-04T14:36:59.357420Z",
"structure_string": "Er2 Ag1 Hg1\n1.0\n4.438180 -0.000000 2.562385\n1.479393 4.184357 2.562385\n-0.000000 -0.000000 5.124769\nEr Ag Hg\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Er\n0.749999 0.750001 0.749999 Er\n0.499999 0.500000 0.499999 Ag\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Er",
"Ag",
"Hg"
],
"chemical_system": "Ag-Er-Hg",
"density": 11.218532705332782,
"density_atomic": 0.04202929010157748,
"volume": 95.17172406035638,
"volume_molar": 14.328437966583621,
"formula_full": "Er2 Ag1 Hg1",
"formula_reduced": "Er2AgHg",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.4068621574999999,
"spacegroup": 225
},
{
"id": "jvasp-107422",
"created_at": "2022-09-04T14:36:59.421502Z",
"updated_at": "2022-09-04T14:36:59.421529Z",
"structure_string": "Rb3 As1 Cl6\n1.0\n6.745580 -0.000000 3.894562\n2.248527 6.359794 3.894562\n-0.000000 -0.000000 7.789125\nRb As Cl\n3 1 6\ndirect\n0.750001 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.499999 Rb\n0.000000 0.000000 0.000000 As\n0.772960 0.227040 0.227040 Cl\n0.227040 0.227040 0.772959 Cl\n0.227041 0.772959 0.772959 Cl\n0.227041 0.772959 0.227040 Cl\n0.772960 0.227040 0.772959 Cl\n0.772960 0.772959 0.227039 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Rb",
"As",
"Cl"
],
"chemical_system": "As-Cl-Rb",
"density": 2.703530695768198,
"density_atomic": 0.029926021297072485,
"volume": 334.1573509131416,
"volume_molar": 20.123426031876537,
"formula_full": "Rb3 As1 Cl6",
"formula_reduced": "Rb3AsCl6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-104496",
"created_at": "2022-09-04T14:36:59.241166Z",
"updated_at": "2022-09-04T14:36:59.241181Z",
"structure_string": "Rb2 Hg1 Bi1 I6\n1.0\n7.535893 -0.000000 4.350850\n2.511964 7.104908 4.350850\n-0.000000 -0.000000 8.701700\nRb Hg Bi I\n2 1 1 6\ndirect\n0.749999 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.499999 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Bi\n0.750213 0.249787 0.249787 I\n0.249787 0.249787 0.750213 I\n0.249786 0.750213 0.750213 I\n0.249786 0.750213 0.249787 I\n0.750213 0.249787 0.750213 I\n0.750212 0.750213 0.249787 I\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Hg",
"Bi",
"I"
],
"chemical_system": "Bi-Hg-I-Rb",
"density": 4.78280399747945,
"density_atomic": 0.021463607179877706,
"volume": 465.9049113317297,
"volume_molar": 28.057449568149952,
"formula_full": "Rb2 Hg1 Bi1 I6",
"formula_reduced": "Rb2HgBiI6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-107469",
"created_at": "2022-09-04T14:36:59.312291Z",
"updated_at": "2022-09-04T14:36:59.312311Z",
"structure_string": "Pm2 Cd1 Ga1\n1.0\n4.578453 -0.000000 2.643371\n1.526151 4.316607 2.643371\n-0.000000 -0.000000 5.286742\nPm Cd Ga\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Pm\n0.749999 0.750001 0.750000 Pm\n0.499999 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Pm",
"Cd",
"Ga"
],
"chemical_system": "Cd-Ga-Pm",
"density": 7.503518995591868,
"density_atomic": 0.038283409034218084,
"volume": 104.48390310342428,
"volume_molar": 15.730419291075549,
"formula_full": "Pm2 Cd1 Ga1",
"formula_reduced": "Pm2CdGa",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.09033860625,
"spacegroup": 225
},
{
"id": "jvasp-107223",
"created_at": "2022-09-04T14:36:59.409173Z",
"updated_at": "2022-09-04T14:36:59.409192Z",
"structure_string": "Th1 Au3\n1.0\n4.326363 0.000000 2.497827\n1.442121 4.078934 2.497827\n-0.000000 -0.000000 4.995654\nTh Au\n1 3\ndirect\n0.000000 0.000000 0.000000 Th\n0.250000 0.250000 0.250000 Au\n0.750000 0.749999 0.750001 Au\n0.500000 0.500000 0.500001 Au\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Th",
"Au"
],
"chemical_system": "Au-Th",
"density": 15.500799754490902,
"density_atomic": 0.045373053365468756,
"volume": 88.15805204426042,
"volume_molar": 13.272504963448549,
"formula_full": "Th1 Au3",
"formula_reduced": "ThAu3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.9845095775,
"spacegroup": 225
},
{
"id": "jvasp-107102",
"created_at": "2022-09-04T14:36:59.414298Z",
"updated_at": "2022-09-04T14:36:59.414308Z",
"structure_string": "K2 Na1 As1 Br6\n1.0\n6.688941 -0.000000 3.861862\n2.229647 6.306394 3.861862\n-0.000000 -0.000000 7.723724\nK Na As Br\n2 1 1 6\ndirect\n0.750000 0.749999 0.749999 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 As\n0.757363 0.242637 0.242636 Br\n0.242637 0.242637 0.757363 Br\n0.242637 0.757363 0.757363 Br\n0.242637 0.757363 0.242636 Br\n0.757363 0.242637 0.757363 Br\n0.757364 0.757363 0.242636 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Na",
"As",
"Br"
],
"chemical_system": "As-Br-K-Na",
"density": 3.3410098957148646,
"density_atomic": 0.030692678347327005,
"volume": 325.8106016958566,
"volume_molar": 19.620773045127432,
"formula_full": "K2 Na1 As1 Br6",
"formula_reduced": "K2NaAsBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-100565",
"created_at": "2022-09-04T14:36:59.413795Z",
"updated_at": "2022-09-04T14:36:59.413816Z",
"structure_string": "Ba1 La1 Fe2 O6\n1.0\n4.778845 0.000000 2.759067\n1.592948 4.505538 2.759067\n0.000000 0.000000 5.518135\nBa La Fe O\n1 1 2 6\ndirect\n0.500001 0.500000 0.500001 Ba\n0.000000 0.000000 0.000000 La\n0.750001 0.750000 0.750001 Fe\n0.250000 0.250000 0.250000 Fe\n-0.000000 -0.000000 0.500000 O\n0.500001 0.500000 0.000000 O\n0.000000 0.500000 0.000000 O\n0.500001 -0.000000 0.500000 O\n0.500001 -0.000000 0.000000 O\n0.000000 0.500000 0.500001 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"La",
"Fe",
"O"
],
"chemical_system": "Ba-Fe-La-O",
"density": 6.763316823486293,
"density_atomic": 0.08416626929548299,
"volume": 118.81244213038534,
"volume_molar": 7.155052505485347,
"formula_full": "Ba1 La1 Fe2 O6",
"formula_reduced": "BaLa(FeO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.511133297,
"spacegroup": 225
},
{
"id": "jvasp-107108",
"created_at": "2022-09-04T14:36:59.421142Z",
"updated_at": "2022-09-04T14:36:59.421166Z",
"structure_string": "K2 Li1 Ce1 I6\n1.0\n7.334394 -0.000000 4.234514\n2.444798 6.914933 4.234514\n-0.000000 -0.000000 8.469028\nK Li Ce I\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 Li\n0.000000 0.000000 0.000000 Ce\n0.741851 0.258149 0.258149 I\n0.258149 0.258149 0.741851 I\n0.258149 0.741851 0.741851 I\n0.258149 0.741851 0.258149 I\n0.741851 0.258149 0.741851 I\n0.741851 0.741851 0.258148 I\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Li",
"Ce",
"I"
],
"chemical_system": "Ce-I-K-Li",
"density": 3.8145193817876515,
"density_atomic": 0.023281674786666894,
"volume": 429.5223643329503,
"volume_molar": 25.8664413758103,
"formula_full": "K2 Li1 Ce1 I6",
"formula_reduced": "K2LiCeI6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-15634",
"created_at": "2022-09-04T14:37:00.051077Z",
"updated_at": "2022-09-04T14:37:00.051096Z",
"structure_string": "Hf1 Al1 Ni2\n1.0\n3.726156 -0.000000 2.151297\n1.242052 3.513053 2.151297\n0.000000 -0.000000 4.302594\nHf Al Ni\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Hf\n0.000000 0.000000 0.000000 Al\n0.250000 0.250000 0.250000 Ni\n0.750001 0.749999 0.750000 Ni\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hf",
"Al",
"Ni"
],
"chemical_system": "Al-Hf-Ni",
"density": 9.518861387760392,
"density_atomic": 0.07102052673677725,
"volume": 56.32174504738841,
"volume_molar": 8.479436913105147,
"formula_full": "Hf1 Al1 Ni2",
"formula_reduced": "HfAlNi2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.14333015,
"spacegroup": 225
},
{
"id": "jvasp-51172",
"created_at": "2022-09-04T14:36:59.452954Z",
"updated_at": "2022-09-04T14:36:59.452974Z",
"structure_string": "Si1 W1 Cl2\n1.0\n-0.000000 3.192931 3.192931\n3.192931 0.000000 3.192931\n3.192931 3.192931 -0.000000\nSi W Cl\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Si\n0.500000 0.500000 0.500000 W\n0.750000 0.750000 0.750000 Cl\n0.250000 0.250000 0.250000 Cl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Si",
"W",
"Cl"
],
"chemical_system": "Cl-Si-W",
"density": 7.214035552853055,
"density_atomic": 0.06144144136977503,
"volume": 65.10263937212459,
"volume_molar": 9.801431453661307,
"formula_full": "Si1 W1 Cl2",
"formula_reduced": "SiWCl2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.05559418375,
"spacegroup": 225
}
]
}