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=id&page=546",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=id&page=544",
"results": [
{
"id": "jvasp-109449",
"created_at": "2022-09-04T14:37:56.612041Z",
"updated_at": "2022-09-04T14:37:56.612062Z",
"structure_string": "K2 Ga1 Hg1 Cl6\n1.0\n6.337638 -0.000000 3.659037\n2.112546 5.975182 3.659037\n-0.000000 -0.000000 7.318073\nK Ga Hg Cl\n2 1 1 6\ndirect\n0.750001 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Ga\n0.500001 0.500000 0.500000 Hg\n0.766551 0.233449 0.233449 Cl\n0.233449 0.233449 0.766551 Cl\n0.233450 0.766551 0.766551 Cl\n0.233450 0.766551 0.233449 Cl\n0.766551 0.233449 0.766551 Cl\n0.766552 0.766551 0.233449 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Ga",
"Hg",
"Cl"
],
"chemical_system": "Cl-Ga-Hg-K",
"density": 3.362891174318516,
"density_atomic": 0.03608483264063705,
"volume": 277.12474378330546,
"volume_molar": 16.688842151420005,
"formula_full": "K2 Ga1 Hg1 Cl6",
"formula_reduced": "K2GaHgCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-10945",
"created_at": "2022-09-04T14:37:07.838601Z",
"updated_at": "2022-09-04T14:37:07.838635Z",
"structure_string": "Mn4 O8\n1.0\n4.955307 0.007297 2.855919\n1.643188 4.670079 2.863492\n0.004599 -0.006474 5.719409\nMn O\n4 8\ndirect\n0.500001 0.500001 0.499998 Mn\n0.000000 0.500002 0.499999 Mn\n0.500000 0.500001 -0.000000 Mn\n0.499999 0.000001 0.500001 Mn\n0.291443 0.736172 0.736197 O\n0.736188 0.736200 0.736169 O\n0.736171 0.291446 0.736187 O\n0.736198 0.736189 0.291444 O\n0.263811 0.263804 0.263829 O\n0.708557 0.263829 0.263802 O\n0.263802 0.263812 0.708556 O\n0.263828 0.708557 0.263812 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Mn",
"O"
],
"chemical_system": "Mn-O",
"density": 4.365070981761079,
"density_atomic": 0.09071092431054124,
"volume": 132.288366491769,
"volume_molar": 6.638826366032504,
"formula_full": "Mn4 O8",
"formula_reduced": "MnO2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.103414747126437,
"spacegroup": 227
},
{
"id": "jvasp-109452",
"created_at": "2022-09-04T14:38:16.358519Z",
"updated_at": "2022-09-04T14:38:16.358541Z",
"structure_string": "K2 Ga1 Au1 I6\n1.0\n7.074707 -0.000000 4.084584\n2.358236 6.670097 4.084584\n-0.000000 -0.000000 8.169168\nK Ga Au I\n2 1 1 6\ndirect\n0.750001 0.750000 0.749999 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.499999 Au\n0.751126 0.248875 0.248874 I\n0.248875 0.248875 0.751125 I\n0.248875 0.751126 0.751125 I\n0.248875 0.751126 0.248874 I\n0.751126 0.248875 0.751125 I\n0.751126 0.751126 0.248873 I\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Ga",
"Au",
"I"
],
"chemical_system": "Au-Ga-I-K",
"density": 4.765502190162057,
"density_atomic": 0.025940692441026553,
"volume": 385.4947211888793,
"volume_molar": 23.215034732363854,
"formula_full": "K2 Ga1 Au1 I6",
"formula_reduced": "K2GaAuI6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-109454",
"created_at": "2022-09-04T14:38:02.721382Z",
"updated_at": "2022-09-04T14:38:02.721391Z",
"structure_string": "K2 Nd1 Cu1 Br6\n1.0\n6.731057 -0.000000 3.886178\n2.243686 6.346101 3.886178\n-0.000000 -0.000000 7.772355\nK Nd Cu Br\n2 1 1 6\ndirect\n0.750001 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.500001 0.500000 0.500000 Nd\n0.000000 0.000000 0.000000 Cu\n0.759887 0.240114 0.240114 Br\n0.240114 0.240114 0.759887 Br\n0.240114 0.759886 0.759887 Br\n0.240114 0.759886 0.240114 Br\n0.759887 0.240114 0.759887 Br\n0.759887 0.759886 0.240114 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Nd",
"Cu",
"Br"
],
"chemical_system": "Br-Cu-K-Nd",
"density": 3.8282435403395954,
"density_atomic": 0.030120149514197815,
"volume": 332.0036640351428,
"volume_molar": 19.9937279765538,
"formula_full": "K2 Nd1 Cu1 Br6",
"formula_reduced": "K2NdCuBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-109459",
"created_at": "2022-09-04T14:38:05.365200Z",
"updated_at": "2022-09-04T14:38:05.365225Z",
"structure_string": "K2 In1 Ga1 F6\n1.0\n5.496954 -0.000000 3.173668\n1.832318 5.182578 3.173668\n-0.000000 -0.000000 6.347336\nK In Ga F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750001 K\n0.500000 0.500000 0.500001 In\n0.000000 0.000000 0.000000 Ga\n0.266213 0.266213 0.733787 F\n0.266213 0.733787 0.733787 F\n0.733786 0.733787 0.266214 F\n0.266213 0.733787 0.266214 F\n0.733786 0.266213 0.733788 F\n0.733786 0.266213 0.266214 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"In",
"Ga",
"F"
],
"chemical_system": "F-Ga-In-K",
"density": 3.459533825044695,
"density_atomic": 0.055301964822902366,
"volume": 180.82540162946742,
"volume_molar": 10.889560215961863,
"formula_full": "K2 In1 Ga1 F6",
"formula_reduced": "K2InGaF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-10946",
"created_at": "2022-09-04T14:37:07.879715Z",
"updated_at": "2022-09-04T14:37:07.879743Z",
"structure_string": "Fe4 O8\n1.0\n5.644052 -0.046896 -0.033160\n2.781414 4.817549 -0.000000\n2.781414 1.605850 4.542029\nFe O\n4 8\ndirect\n0.264929 0.245024 0.245024 Fe\n0.633717 0.114255 0.626013 Fe\n0.633717 0.626013 0.114255 Fe\n0.633717 0.626013 0.626013 Fe\n0.395801 0.371613 0.371613 O\n0.395801 0.371613 0.860972 O\n0.395801 0.860971 0.371613 O\n0.863054 0.378981 0.378981 O\n0.414047 0.861983 0.861983 O\n0.833919 0.408961 0.878560 O\n0.833919 0.878559 0.408961 O\n0.833919 0.878559 0.878560 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Fe",
"O"
],
"chemical_system": "Fe-O",
"density": 4.69071760349543,
"density_atomic": 0.09647178861827918,
"volume": 124.38869613459491,
"volume_molar": 6.242385308961654,
"formula_full": "Fe4 O8",
"formula_reduced": "FeO2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.050637500000001,
"spacegroup": 160
},
{
"id": "jvasp-109466",
"created_at": "2022-09-04T14:38:07.494068Z",
"updated_at": "2022-09-04T14:38:07.494086Z",
"structure_string": "Rb1 Na2 As1 F6\n1.0\n5.660146 -0.000000 3.267887\n1.886715 5.336437 3.267887\n-0.000000 -0.000000 6.535774\nRb Na As F\n1 2 1 6\ndirect\n0.500001 0.500000 0.500000 Rb\n0.750001 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 As\n0.777987 0.222014 0.222014 F\n0.222014 0.222014 0.777986 F\n0.222015 0.777987 0.777986 F\n0.222015 0.777987 0.222014 F\n0.777987 0.222014 0.777986 F\n0.777987 0.777987 0.222014 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Na",
"As",
"F"
],
"chemical_system": "As-F-Na-Rb",
"density": 2.6947002651112766,
"density_atomic": 0.050655190538478584,
"volume": 197.4131356273119,
"volume_molar": 11.88849690620643,
"formula_full": "Rb1 Na2 As1 F6",
"formula_reduced": "RbNa2AsF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-109468",
"created_at": "2022-09-04T14:38:19.184660Z",
"updated_at": "2022-09-04T14:38:19.184689Z",
"structure_string": "Na3 As1 Cl6\n1.0\n6.266650 -0.000000 3.618052\n2.088883 5.908254 3.618052\n-0.000000 -0.000000 7.236104\nNa As Cl\n3 1 6\ndirect\n0.750000 0.749999 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 As\n0.757083 0.242917 0.242916 Cl\n0.242917 0.242917 0.757083 Cl\n0.242917 0.757083 0.757083 Cl\n0.242917 0.757083 0.242917 Cl\n0.757083 0.242917 0.757083 Cl\n0.757083 0.757083 0.242917 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Na",
"As",
"Cl"
],
"chemical_system": "As-Cl-Na",
"density": 2.2102524852154586,
"density_atomic": 0.037325067582661534,
"volume": 267.9164606428003,
"volume_molar": 16.134306379119433,
"formula_full": "Na3 As1 Cl6",
"formula_reduced": "Na3AsCl6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-10947",
"created_at": "2022-09-04T14:37:10.270094Z",
"updated_at": "2022-09-04T14:37:10.270116Z",
"structure_string": "V4 O8\n1.0\n5.753937 -0.022262 -0.016345\n-2.856821 4.995105 0.010053\n-2.869666 -1.652995 4.706139\nV O\n4 8\ndirect\n0.500000 -0.000000 0.500001 V\n-0.000001 -0.000000 0.500000 V\n0.500001 0.000000 0.000001 V\n-0.000001 0.499999 0.500000 V\n0.475051 0.762460 0.737459 O\n0.024951 0.762411 0.287406 O\n0.475047 0.212596 0.737591 O\n0.975052 0.237458 0.262462 O\n0.524952 0.787403 0.262410 O\n0.975049 0.237588 0.712594 O\n0.024947 0.762541 0.737538 O\n0.524948 0.237539 0.262541 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
"V",
"O"
],
"chemical_system": "O-V",
"density": 4.088418926970449,
"density_atomic": 0.0890557459012303,
"volume": 134.74706071530665,
"volume_molar": 6.762214721865357,
"formula_full": "V4 O8",
"formula_reduced": "VO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.9299570666666672,
"spacegroup": 227
},
{
"id": "jvasp-109471",
"created_at": "2022-09-04T14:38:18.915305Z",
"updated_at": "2022-09-04T14:38:18.915343Z",
"structure_string": "Na3 As1 Br6\n1.0\n6.656936 -0.000000 3.843384\n2.218979 6.276220 3.843384\n-0.000000 -0.000000 7.686768\nNa As Br\n3 1 6\ndirect\n0.750001 0.750000 0.749999 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.499999 Na\n0.000000 0.000000 0.000000 As\n0.756906 0.243094 0.243093 Br\n0.243094 0.243094 0.756906 Br\n0.243094 0.756906 0.756905 Br\n0.243094 0.756906 0.243094 Br\n0.756906 0.243094 0.756905 Br\n0.756906 0.756906 0.243093 Br\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Na",
"As",
"Br"
],
"chemical_system": "As-Br-Na",
"density": 3.2228515221089618,
"density_atomic": 0.031137496115221375,
"volume": 321.1562022519711,
"volume_molar": 19.340478559083984,
"formula_full": "Na3 As1 Br6",
"formula_reduced": "Na3AsBr6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-109475",
"created_at": "2022-09-04T14:38:16.972453Z",
"updated_at": "2022-09-04T14:38:16.972474Z",
"structure_string": "Rb2 Tl1 Ag1 F6\n1.0\n5.556264 -0.000000 3.207910\n1.852088 5.238496 3.207910\n-0.000000 -0.000000 6.415821\nRb Tl Ag F\n2 1 1 6\ndirect\n0.750000 0.750001 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Ag\n0.756738 0.243262 0.243262 F\n0.243262 0.243262 0.756738 F\n0.243262 0.756739 0.756738 F\n0.243262 0.756739 0.243261 F\n0.756738 0.243262 0.756738 F\n0.756738 0.756739 0.243262 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Tl",
"Ag",
"F"
],
"chemical_system": "Ag-F-Rb-Tl",
"density": 5.31019928396309,
"density_atomic": 0.05354985165142854,
"volume": 186.7418805395184,
"volume_molar": 11.245858903960846,
"formula_full": "Rb2 Tl1 Ag1 F6",
"formula_reduced": "Rb2TlAgF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-109476",
"created_at": "2022-09-04T14:38:19.277478Z",
"updated_at": "2022-09-04T14:38:19.277506Z",
"structure_string": "Rb2 Y1 Au1 I6\n1.0\n7.330252 -0.000000 4.232123\n2.443417 6.911028 4.232123\n-0.000000 -0.000000 8.464246\nRb Y Au I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 Au\n0.749094 0.250906 0.250905 I\n0.250906 0.250906 0.749095 I\n0.250906 0.749095 0.749094 I\n0.250906 0.749095 0.250905 I\n0.749094 0.250906 0.749094 I\n0.749094 0.749095 0.250905 I\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Y",
"Au",
"I"
],
"chemical_system": "Au-I-Rb-Y",
"density": 4.7176995398605115,
"density_atomic": 0.023321160906518246,
"volume": 428.79512045238744,
"volume_molar": 25.82264572565432,
"formula_full": "Rb2 Y1 Au1 I6",
"formula_reduced": "Rb2YAuI6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
}
]
}