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=4387",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=4385",
"results": [
{
"id": "jvasp-108572",
"created_at": "2022-09-04T14:38:17.543588Z",
"updated_at": "2022-09-04T14:38:17.543614Z",
"structure_string": "Na2 In1 Cu1 Cl6\n1.0\n6.119170 -0.000000 3.532904\n2.039723 5.769209 3.532904\n-0.000000 -0.000000 7.065809\nNa In Cu Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 Cu\n0.745527 0.254473 0.254472 Cl\n0.254472 0.254473 0.745527 Cl\n0.254472 0.745528 0.745527 Cl\n0.254472 0.745528 0.254472 Cl\n0.745527 0.254473 0.745527 Cl\n0.745527 0.745528 0.254472 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Na",
"In",
"Cu",
"Cl"
],
"chemical_system": "Cl-Cu-In-Na",
"density": 2.909517696424731,
"density_atomic": 0.04008937774612803,
"volume": 249.44263448852945,
"volume_molar": 15.02178656435155,
"formula_full": "Na2 In1 Cu1 Cl6",
"formula_reduced": "Na2InCuCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-109247",
"created_at": "2022-09-04T14:38:17.542859Z",
"updated_at": "2022-09-04T14:38:17.542884Z",
"structure_string": "Rb2 Ga1 Ag1 I6\n1.0\n7.101363 -0.000000 4.099974\n2.367121 6.695229 4.099974\n-0.000000 -0.000000 8.199948\nRb Ga Ag 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 Ga\n0.500000 0.500000 0.500000 Ag\n0.754269 0.245731 0.245731 I\n0.245731 0.245731 0.754269 I\n0.245731 0.754269 0.754269 I\n0.245731 0.754269 0.245730 I\n0.754269 0.245731 0.754269 I\n0.754269 0.754269 0.245730 I\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Ga",
"Ag",
"I"
],
"chemical_system": "Ag-Ga-I-Rb",
"density": 4.727545115871974,
"density_atomic": 0.025649668268904913,
"volume": 389.8685899233636,
"volume_molar": 23.47843526421213,
"formula_full": "Rb2 Ga1 Ag1 I6",
"formula_reduced": "Rb2GaAgI6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-37485",
"created_at": "2022-09-04T14:38:07.044249Z",
"updated_at": "2022-09-04T14:38:07.044274Z",
"structure_string": "Yb2 Ag1 Hg1\n1.0\n0.000000 3.637439 3.637439\n3.637439 0.000000 3.637439\n3.637439 3.637439 0.000000\nYb Ag Hg\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500001 0.500001 0.500001 Yb\n0.250000 0.250000 0.250000 Ag\n0.749999 0.749999 0.749999 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Yb",
"Ag",
"Hg"
],
"chemical_system": "Ag-Hg-Yb",
"density": 11.291897905368396,
"density_atomic": 0.04155687087914959,
"volume": 96.25363785527287,
"volume_molar": 14.491323895662944,
"formula_full": "Yb2 Ag1 Hg1",
"formula_reduced": "Yb2AgHg",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-108972",
"created_at": "2022-09-04T14:38:17.576020Z",
"updated_at": "2022-09-04T14:38:17.576035Z",
"structure_string": "Na2 Tm1 Cu1 Cl6\n1.0\n6.182972 -0.000000 3.569740\n2.060991 5.829362 3.569740\n-0.000000 -0.000000 7.139481\nNa Tm Cu Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Tm\n0.500000 0.500000 0.500000 Cu\n0.745728 0.254272 0.254272 Cl\n0.254272 0.254272 0.745728 Cl\n0.254272 0.745728 0.745728 Cl\n0.254272 0.745728 0.254272 Cl\n0.745728 0.254272 0.745728 Cl\n0.745728 0.745728 0.254272 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Na",
"Tm",
"Cu",
"Cl"
],
"chemical_system": "Cl-Cu-Na-Tm",
"density": 3.1695881463008218,
"density_atomic": 0.038861096682020514,
"volume": 257.32675744651857,
"volume_molar": 15.49657954657313,
"formula_full": "Na2 Tm1 Cu1 Cl6",
"formula_reduced": "Na2TmCuCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-38103",
"created_at": "2022-09-04T14:38:07.256542Z",
"updated_at": "2022-09-04T14:38:07.256566Z",
"structure_string": "Rb2 In1 Ga1 F6\n1.0\n-0.000000 4.497040 4.497040\n4.497040 -0.000000 4.497040\n4.497040 4.497040 -0.000000\nRb In Ga F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 Ga\n0.285694 0.714306 0.714306 F\n0.285694 0.714306 0.285694 F\n0.714306 0.285694 0.714306 F\n0.714306 0.714306 0.285694 F\n0.285694 0.285694 0.714306 F\n0.714306 0.285694 0.285694 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"In",
"Ga",
"F"
],
"chemical_system": "F-Ga-In-Rb",
"density": 4.285918793021755,
"density_atomic": 0.05497810327636715,
"volume": 181.89059651133132,
"volume_molar": 10.953707751116022,
"formula_full": "Rb2 In1 Ga1 F6",
"formula_reduced": "Rb2InGaF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-36905",
"created_at": "2022-09-04T14:38:07.262450Z",
"updated_at": "2022-09-04T14:38:07.262474Z",
"structure_string": "Rb2 Se2 Br6\n1.0\n0.000000 5.222755 0.037024\n8.601482 0.000000 0.000000\n0.000000 -0.891644 -7.603353\nRb Se Br\n2 2 6\ndirect\n0.214247 0.750000 0.659952 Rb\n0.785755 0.250000 0.340048 Rb\n0.000000 0.500000 0.000000 Se\n0.000000 0.000000 0.000000 Se\n0.283039 0.507079 0.307806 Br\n0.716963 0.007079 0.692194 Br\n0.283039 -0.007079 0.307806 Br\n0.716963 0.492920 0.692194 Br\n0.747202 0.750000 0.086755 Br\n0.252800 0.250000 0.913246 Br\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Rb",
"Se",
"Br"
],
"chemical_system": "Br-Rb-Se",
"density": 3.9327271139616204,
"density_atomic": 0.02930104416730291,
"volume": 341.2847659251345,
"volume_molar": 20.552648996448116,
"formula_full": "Rb2 Se2 Br6",
"formula_reduced": "RbSeBr3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 11
},
{
"id": "jvasp-110024",
"created_at": "2022-09-04T14:38:18.875667Z",
"updated_at": "2022-09-04T14:38:18.875689Z",
"structure_string": "Pm1 Mg1 Tl2\n1.0\n4.601512 -0.000000 2.656684\n1.533837 4.338347 2.656684\n-0.000000 -0.000000 5.313368\nPm Mg Tl\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Pm\n0.500000 0.500000 0.499999 Mg\n0.250000 0.250000 0.250000 Tl\n0.750000 0.750000 0.749999 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Pm",
"Mg",
"Tl"
],
"chemical_system": "Mg-Pm-Tl",
"density": 9.04973767168888,
"density_atomic": 0.03771075701959324,
"volume": 106.0705304303951,
"volume_molar": 15.969291618492566,
"formula_full": "Pm1 Mg1 Tl2",
"formula_reduced": "PmMgTl2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-25587",
"created_at": "2022-09-04T14:38:28.529395Z",
"updated_at": "2022-09-04T14:38:28.529418Z",
"structure_string": "K6 Sn10 Cl6 F20\n1.0\n4.341867 -0.000000 -0.000000\n-2.170933 9.509442 0.000000\n-0.000000 -0.000000 20.755025\nK Sn Cl F\n6 10 6 20\ndirect\n0.000000 0.000000 0.000000 K\n0.441202 0.882404 0.163681 K\n0.441202 0.882404 0.336320 K\n0.558799 0.117596 0.663681 K\n0.558799 0.117596 0.836320 K\n0.000000 0.000000 0.500000 K\n0.672614 0.345227 0.501123 Sn\n0.870882 0.741763 0.648971 Sn\n0.327387 0.654773 0.001123 Sn\n0.129119 0.258237 0.351029 Sn\n0.672614 0.345227 -0.001123 Sn\n0.129119 0.258237 0.148971 Sn\n0.870882 0.741763 0.851029 Sn\n0.205008 0.410015 0.750000 Sn\n0.794993 0.589984 0.250000 Sn\n0.327387 0.654773 0.498877 Sn\n0.185809 0.371618 0.613144 Cl\n0.814192 0.628382 0.113144 Cl\n0.814192 0.628382 0.386856 Cl\n0.419400 0.838800 0.750000 Cl\n0.185809 0.371618 0.886856 Cl\n0.580601 0.161200 0.250000 Cl\n0.142375 0.284750 0.463269 F\n0.376614 0.753226 0.899436 F\n0.429112 0.858222 0.035635 F\n0.857626 0.715250 0.536731 F\n0.623387 0.246774 0.399436 F\n0.429112 0.858222 0.464365 F\n0.326828 0.653654 0.250000 F\n0.623387 0.246774 0.100564 F\n0.570889 0.141778 0.535636 F\n0.673174 0.346346 0.750000 F\n0.977083 0.954162 0.871488 F\n0.022919 0.045838 0.371488 F\n0.857626 0.715250 0.963269 F\n0.094128 0.188256 0.750000 F\n0.376614 0.753226 0.600564 F\n0.022919 0.045838 0.128512 F\n0.142375 0.284750 0.036731 F\n0.905873 0.811744 0.250000 F\n0.977083 0.954162 0.628513 F\n0.570889 0.141778 0.964365 F\n",
"nsites": 42,
"nelements": 4,
"elements": [
"K",
"Sn",
"Cl",
"F"
],
"chemical_system": "Cl-F-K-Sn",
"density": 3.9033257428462975,
"density_atomic": 0.04901110335555338,
"volume": 856.9486733507916,
"volume_molar": 12.287298892889828,
"formula_full": "K6 Sn10 Cl6 F20",
"formula_reduced": "K3Sn5Cl3F10",
"formula_anonymous": "A3B3C5D10",
"energy_above_hull": 0.0,
"spacegroup": 63
},
{
"id": "jvasp-108775",
"created_at": "2022-09-04T14:38:18.876403Z",
"updated_at": "2022-09-04T14:38:18.876418Z",
"structure_string": "K4 Na1 Cl5\n1.0\n4.294989 0.005783 17.468807\n2.120872 3.734818 17.468807\n0.009919 0.005783 17.989054\nK Na Cl\n4 1 5\ndirect\n0.604033 0.604032 0.604033 K\n0.201347 0.201347 0.201347 K\n0.798654 0.798652 0.798654 K\n0.395968 0.395967 0.395968 K\n0.000000 0.000000 0.000000 Na\n0.694561 0.694560 0.694561 Cl\n0.500000 0.499999 0.500000 Cl\n0.097305 0.097305 0.097305 Cl\n0.305439 0.305439 0.305440 Cl\n0.902695 0.902694 0.902695 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
"K",
"Na",
"Cl"
],
"chemical_system": "Cl-K-Na",
"density": 2.0600947385667294,
"density_atomic": 0.034785507187709834,
"volume": 287.4760441478665,
"volume_molar": 17.312212029864263,
"formula_full": "K4 Na1 Cl5",
"formula_reduced": "K4NaCl5",
"formula_anonymous": "AB4C5",
"energy_above_hull": 0.0,
"spacegroup": 166
},
{
"id": "jvasp-109251",
"created_at": "2022-09-04T14:38:17.551395Z",
"updated_at": "2022-09-04T14:38:17.551417Z",
"structure_string": "Rb2 Na1 Sc1 F6\n1.0\n5.263876 -0.000000 3.039100\n1.754625 4.962830 3.039100\n-0.000000 -0.000000 6.078201\nRb Na Sc F\n2 1 1 6\ndirect\n0.750001 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.500001 0.500000 0.499999 Na\n0.000000 0.000000 0.000000 Sc\n0.763962 0.236038 0.236038 F\n0.236039 0.236038 0.763961 F\n0.236039 0.763962 0.763961 F\n0.236039 0.763962 0.236038 F\n0.763962 0.236038 0.763961 F\n0.763963 0.763962 0.236038 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Na",
"Sc",
"F"
],
"chemical_system": "F-Na-Rb-Sc",
"density": 3.69025027372612,
"density_atomic": 0.06297814918413004,
"volume": 158.78523153741577,
"volume_molar": 9.56227014927509,
"formula_full": "Rb2 Na1 Sc1 F6",
"formula_reduced": "Rb2NaScF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-109640",
"created_at": "2022-09-04T14:38:17.697850Z",
"updated_at": "2022-09-04T14:38:17.697888Z",
"structure_string": "Tl2 Co1 F4\n1.0\n3.976240 0.034123 -6.451439\n-0.290450 3.965764 -6.451439\n-0.031444 -0.034123 7.578295\nTl Co F\n2 1 4\ndirect\n0.350686 0.350686 -0.000001 Tl\n0.649314 0.649313 -0.000001 Tl\n0.000000 0.000000 0.000000 Co\n0.145301 0.145301 -0.000000 F\n0.854699 0.854697 -0.000002 F\n0.500001 0.000000 0.500001 F\n0.000000 0.500000 0.500001 F\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Tl",
"Co",
"F"
],
"chemical_system": "Co-F-Tl",
"density": 7.661498879253445,
"density_atomic": 0.05940303271334552,
"volume": 117.83910147785056,
"volume_molar": 10.13776651616486,
"formula_full": "Tl2 Co1 F4",
"formula_reduced": "Tl2CoF4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-17560",
"created_at": "2022-09-04T14:38:28.561722Z",
"updated_at": "2022-09-04T14:38:28.561742Z",
"structure_string": "Sr3 Pb1 O1\n1.0\n5.160557 -0.000000 -0.000000\n0.000000 5.160557 -0.000000\n0.000000 0.000000 5.160557\nSr Pb O\n3 1 1\ndirect\n0.500000 0.000000 0.500000 Sr\n0.000000 0.500000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n0.000000 0.000000 0.000000 Pb\n0.500000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sr",
"Pb",
"O"
],
"chemical_system": "O-Pb-Sr",
"density": 5.872847259757233,
"density_atomic": 0.036381471968714586,
"volume": 137.43259218042732,
"volume_molar": 16.55276830244417,
"formula_full": "Sr3 Pb1 O1",
"formula_reduced": "Sr3PbO",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 221
}
]
}