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=formula_reduced&page=352",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=350",
"results": [
{
"id": "jvasp-7656",
"created_at": "2022-09-04T14:36:42.315467Z",
"updated_at": "2022-09-04T14:36:42.315489Z",
"structure_string": "Ba1 Cu2 Se2\n1.0\n3.908628 0.000000 -1.145050\n-0.335447 3.894206 -1.145050\n-0.010147 -0.011059 7.208939\nBa Cu Se\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.249999 0.750001 0.500000 Cu\n0.750000 0.250000 0.500000 Cu\n0.635948 0.635949 0.271896 Se\n0.364051 0.364052 0.728104 Se\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"Cu",
"Se"
],
"chemical_system": "Ba-Cu-Se",
"density": 6.397166355973579,
"density_atomic": 0.045608665401635246,
"volume": 109.62829006219356,
"volume_molar": 13.203939880652774,
"formula_full": "Ba1 Cu2 Se2",
"formula_reduced": "Ba(CuSe)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.1790147206666668,
"spacegroup": 139
},
{
"id": "jvasp-2916",
"created_at": "2022-09-04T14:37:02.319324Z",
"updated_at": "2022-09-04T14:37:02.319340Z",
"structure_string": "Ba2 Cu2 Se2 F2\n1.0\n4.266022 0.000000 -0.000000\n-0.000000 4.266022 0.000000\n0.000000 0.000000 9.160550\nBa Cu Se F\n2 2 2 2\ndirect\n0.500000 0.000000 0.672145 Ba\n0.000000 0.500000 0.327855 Ba\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.000000 Cu\n0.500000 0.000000 0.154639 Se\n0.000000 0.500000 0.845361 Se\n0.500000 0.500000 0.500000 F\n0.000000 0.000000 0.500000 F\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Ba",
"Cu",
"Se",
"F"
],
"chemical_system": "Ba-Cu-F-Se",
"density": 5.953023488692093,
"density_atomic": 0.04798685148211898,
"volume": 166.71233375211096,
"volume_molar": 12.549564253541389,
"formula_full": "Ba2 Cu2 Se2 F2",
"formula_reduced": "BaCuSeF",
"formula_anonymous": "ABCD",
"energy_above_hull": 0.0,
"spacegroup": 129
},
{
"id": "jvasp-91820",
"created_at": "2022-09-04T14:35:53.030950Z",
"updated_at": "2022-09-04T14:35:53.030975Z",
"structure_string": "Ba2 Cu2 Se2 O2\n1.0\n4.303904 -0.000000 -0.000000\n0.000000 4.303904 -0.000000\n0.000000 -0.000000 9.500432\nBa Cu Se O\n2 2 2 2\ndirect\n0.749999 0.749999 0.643552 Ba\n0.250000 0.250000 0.356447 Ba\n0.250000 0.749999 0.000000 Cu\n0.749999 0.250000 0.000000 Cu\n0.250000 0.250000 0.864937 Se\n0.749999 0.749999 0.135063 Se\n0.250000 0.749999 0.500000 O\n0.749999 0.250000 0.500000 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Ba",
"Cu",
"Se",
"O"
],
"chemical_system": "Ba-Cu-O-Se",
"density": 5.582854697245756,
"density_atomic": 0.04545916788162452,
"volume": 175.98210378227702,
"volume_molar": 13.247362502722508,
"formula_full": "Ba2 Cu2 Se2 O2",
"formula_reduced": "BaCuSeO",
"formula_anonymous": "ABCD",
"energy_above_hull": 0.4478733216666666,
"spacegroup": 129
},
{
"id": "jvasp-96849",
"created_at": "2022-09-04T14:35:58.233167Z",
"updated_at": "2022-09-04T14:35:58.233194Z",
"structure_string": "Ba4 Cu4 Se8 O24\n1.0\n5.242411 0.000000 0.000000\n0.000000 9.002532 0.000000\n0.000000 0.000000 13.453695\nBa Cu Se O\n4 4 8 24\ndirect\n0.002871 0.754605 0.297987 Ba\n-0.002871 0.254605 0.202013 Ba\n0.002871 0.754605 0.702013 Ba\n-0.002871 0.254605 0.797986 Ba\n0.542148 0.045816 0.632403 Cu\n0.457852 0.545816 0.867596 Cu\n0.457852 0.545816 0.132403 Cu\n0.542148 0.045816 0.367597 Cu\n0.921809 0.659443 0.000000 Se\n0.494296 0.418283 0.637535 Se\n0.470130 0.728278 0.500000 Se\n0.494296 0.418283 0.362465 Se\n0.505704 0.918282 0.137535 Se\n0.505704 0.918282 0.862465 Se\n0.529870 0.228278 0.000000 Se\n0.078190 0.159443 0.500000 Se\n0.472018 0.240496 0.688901 O\n0.980938 0.065274 0.396838 O\n0.527982 0.740496 0.811098 O\n0.316136 0.504750 0.730177 O\n0.472018 0.240496 0.311099 O\n0.458527 0.332844 0.105217 O\n0.980938 0.065274 0.603162 O\n0.527982 0.740496 0.188901 O\n0.683863 0.004750 0.769822 O\n0.799134 0.466050 0.664751 O\n0.019061 0.565274 0.103162 O\n0.316136 0.504750 0.269822 O\n0.799134 0.466050 0.335248 O\n0.145794 0.723141 0.500000 O\n0.854206 0.223141 0.000000 O\n0.415060 0.108204 0.500000 O\n0.584939 0.608204 0.000000 O\n0.458527 0.332844 0.894783 O\n0.541473 0.832844 0.605217 O\n0.200866 0.966050 0.164751 O\n0.683863 0.004750 0.230177 O\n0.200866 0.966050 0.835248 O\n0.019061 0.565274 0.896838 O\n0.541473 0.832844 0.394783 O\n",
"nsites": 40,
"nelements": 4,
"elements": [
"Ba",
"Cu",
"Se",
"O"
],
"chemical_system": "Ba-Cu-O-Se",
"density": 4.757536235772082,
"density_atomic": 0.06299740691520304,
"volume": 634.9467693780088,
"volume_molar": 9.559347050754067,
"formula_full": "Ba4 Cu4 Se8 O24",
"formula_reduced": "BaCu(SeO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.8467704153333333,
"spacegroup": 31
},
{
"id": "jvasp-113188",
"created_at": "2022-09-04T14:38:46.863983Z",
"updated_at": "2022-09-04T14:38:46.864014Z",
"structure_string": "Ba2 Cu2 Si4 O12\n1.0\n6.263687 -0.052414 -4.057232\n-1.879011 5.975437 -4.057232\n0.038801 0.052414 7.462802\nBa Cu Si O\n2 2 4 12\ndirect\n0.250000 0.750000 0.500000 Ba\n0.750000 0.250000 0.500001 Ba\n0.125838 0.125838 0.000000 Cu\n0.874163 0.874163 0.000002 Cu\n0.726586 0.273415 0.000001 Si\n0.273414 0.273414 0.546830 Si\n0.273415 0.726586 0.000001 Si\n0.726586 0.726586 0.453171 Si\n0.935180 0.935180 0.615610 O\n0.319569 0.319569 0.384391 O\n0.064821 0.680431 0.000001 O\n0.766093 0.500001 0.266094 O\n0.500000 0.766093 0.266094 O\n0.680431 0.064821 0.000001 O\n0.233907 0.500000 0.733907 O\n0.064821 0.064821 0.384391 O\n0.935180 0.319570 0.000001 O\n0.500000 0.233907 0.733907 O\n0.319570 0.935180 0.000001 O\n0.680431 0.680431 0.615610 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ba",
"Cu",
"Si",
"O"
],
"chemical_system": "Ba-Cu-O-Si",
"density": 4.168572570355388,
"density_atomic": 0.07110724663701509,
"volume": 281.26528512761934,
"volume_molar": 8.469095689700291,
"formula_full": "Ba2 Cu2 Si4 O12",
"formula_reduced": "BaCu(SiO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.143580462,
"spacegroup": 139
},
{
"id": "jvasp-86915",
"created_at": "2022-09-04T14:35:49.526625Z",
"updated_at": "2022-09-04T14:35:49.526655Z",
"structure_string": "Ba2 Cu2 Sn4\n1.0\n4.707330 0.000000 -0.000000\n0.000000 4.716230 -1.150124\n-0.000000 -0.045302 10.059043\nBa Cu Sn\n2 2 4\ndirect\n0.250000 0.607796 0.215591 Ba\n0.750000 0.392205 0.784409 Ba\n0.750000 0.179454 0.358908 Cu\n0.250000 0.820547 0.641092 Cu\n0.250000 0.956632 0.913264 Sn\n0.750000 0.043369 0.086736 Sn\n0.750000 0.750320 0.500640 Sn\n0.250000 0.249680 0.499360 Sn\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ba",
"Cu",
"Sn"
],
"chemical_system": "Ba-Cu-Sn",
"density": 6.525211272076384,
"density_atomic": 0.03586253103085143,
"volume": 223.07404887618912,
"volume_molar": 16.792291527944133,
"formula_full": "Ba2 Cu2 Sn4",
"formula_reduced": "BaCuSn2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 63
},
{
"id": "jvasp-69327",
"created_at": "2022-09-04T14:35:51.139493Z",
"updated_at": "2022-09-04T14:35:51.139503Z",
"structure_string": "Ba1 Cu1 Te2\n1.0\n4.212638 0.000000 -0.000000\n0.000000 4.212638 0.000000\n-0.000000 0.000000 6.889781\nBa Cu Te\n1 1 2\ndirect\n0.500000 0.500000 0.000000 Ba\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.725363 Te\n0.000000 0.000000 0.274637 Te\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Cu",
"Te"
],
"chemical_system": "Ba-Cu-Te",
"density": 6.193979451697699,
"density_atomic": 0.03271495233049236,
"volume": 122.2682509083699,
"volume_molar": 18.407915436230034,
"formula_full": "Ba1 Cu1 Te2",
"formula_reduced": "BaCuTe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.1847504883333333,
"spacegroup": 123
},
{
"id": "jvasp-25603",
"created_at": "2022-09-04T14:37:39.775636Z",
"updated_at": "2022-09-04T14:37:39.775665Z",
"structure_string": "Ba2 Cu2 Te4 O14\n1.0\n5.557823 0.000000 0.000000\n0.000000 6.608996 -3.090345\n0.000000 0.006773 8.626642\nBa Cu Te O\n2 2 4 14\ndirect\n0.250000 0.216614 0.416675 Ba\n0.750000 0.799938 0.583325 Ba\n0.250000 0.633584 0.269270 Cu\n0.750000 0.364314 0.730730 Cu\n0.750000 0.326139 0.155965 Te\n0.750000 0.822430 0.141866 Te\n0.250000 0.680564 0.858135 Te\n0.250000 0.170175 0.844035 Te\n0.497831 0.162566 0.683583 O\n0.993149 0.548274 0.707460 O\n0.506850 0.548274 0.707460 O\n0.750000 0.141764 0.271491 O\n0.006851 0.840815 0.292541 O\n0.493149 0.840815 0.292541 O\n0.502168 0.478984 0.316418 O\n0.500000 0.135049 0.000000 O\n0.750000 0.498718 0.035208 O\n0.250000 0.870273 0.728509 O\n0.997831 0.478984 0.316418 O\n0.250000 0.463512 0.964793 O\n0.002168 0.162566 0.683583 O\n0.000000 0.135049 0.000000 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Ba",
"Cu",
"Te",
"O"
],
"chemical_system": "Ba-Cu-O-Te",
"density": 5.951667275350713,
"density_atomic": 0.06940348759051228,
"volume": 316.98695215148643,
"volume_molar": 8.677000204271073,
"formula_full": "Ba2 Cu2 Te4 O14",
"formula_reduced": "BaCuTe2O7",
"formula_anonymous": "ABC2D7",
"energy_above_hull": 1.8473214957575756,
"spacegroup": 40
},
{
"id": "jvasp-88791",
"created_at": "2022-09-04T14:35:47.473277Z",
"updated_at": "2022-09-04T14:35:47.473304Z",
"structure_string": "Ba2 Cu2 Te2 F2\n1.0\n4.464864 0.000000 0.000000\n0.000000 4.464864 -0.000000\n-0.000000 0.000000 9.374175\nBa Cu Te F\n2 2 2 2\ndirect\n0.749999 0.749999 0.658180 Ba\n0.250000 0.250000 0.341819 Ba\n0.749999 0.250000 0.000000 Cu\n0.250000 0.749999 0.000000 Cu\n0.250000 0.250000 0.836994 Te\n0.749999 0.749999 0.163006 Te\n0.250000 0.749999 0.500000 F\n0.749999 0.250000 0.500000 F\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Ba",
"Cu",
"Te",
"F"
],
"chemical_system": "Ba-Cu-F-Te",
"density": 6.1751659727837405,
"density_atomic": 0.04280953007912716,
"volume": 186.87427741470577,
"volume_molar": 14.067290037683088,
"formula_full": "Ba2 Cu2 Te2 F2",
"formula_reduced": "BaCuTeF",
"formula_anonymous": "ABCD",
"energy_above_hull": 0.0,
"spacegroup": 129
},
{
"id": "jvasp-8428",
"created_at": "2022-09-04T14:37:18.150686Z",
"updated_at": "2022-09-04T14:37:18.150705Z",
"structure_string": "Ba1 Cu1 W1 O5\n1.0\n3.830790 0.000000 0.000000\n-0.000000 3.830790 0.000000\n-0.000000 0.000000 7.991873\nBa Cu W O\n1 1 1 5\ndirect\n0.000000 0.000000 0.047611 Ba\n0.500000 0.500000 0.301342 Cu\n0.500000 0.500000 0.670742 W\n0.000000 0.500000 0.643825 O\n0.500000 0.000000 0.643825 O\n0.000000 0.500000 0.260885 O\n0.500000 0.000000 0.260885 O\n0.500000 0.500000 0.894730 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Ba",
"Cu",
"W",
"O"
],
"chemical_system": "Ba-Cu-O-W",
"density": 6.579696350129299,
"density_atomic": 0.068212618781141,
"volume": 117.28035285770014,
"volume_molar": 8.82848491614423,
"formula_full": "Ba1 Cu1 W1 O5",
"formula_reduced": "BaCuWO5",
"formula_anonymous": "ABCD5",
"energy_above_hull": 2.57554049,
"spacegroup": 99
},
{
"id": "jvasp-7879",
"created_at": "2022-09-04T14:37:06.512857Z",
"updated_at": "2022-09-04T14:37:06.512877Z",
"structure_string": "Ba1 Dy2 Co1 O5\n1.0\n3.556929 -0.000028 -1.011480\n-0.706668 5.183334 -2.485799\n-0.007245 -0.007092 6.734557\nBa Dy Co O\n1 2 1 5\ndirect\n1.000000 -0.000000 0.000000 Ba\n0.796824 0.296826 0.593657 Dy\n0.203176 0.703173 0.406343 Dy\n0.499998 0.500000 -0.000000 Co\n0.650342 0.408961 0.300661 O\n0.349666 0.108276 0.699350 O\n0.349657 0.591039 0.699339 O\n0.650333 0.891723 0.300650 O\n0.000002 0.500000 -0.000000 O\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Ba",
"Dy",
"Co",
"O"
],
"chemical_system": "Ba-Co-Dy-O",
"density": 8.047972964139133,
"density_atomic": 0.07254702945471149,
"volume": 124.05745717842764,
"volume_molar": 8.301016327290707,
"formula_full": "Ba1 Dy2 Co1 O5",
"formula_reduced": "BaDy2CoO5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 2.0245052633333334,
"spacegroup": 71
},
{
"id": "jvasp-90291",
"created_at": "2022-09-04T14:36:07.492822Z",
"updated_at": "2022-09-04T14:36:07.492832Z",
"structure_string": "Ba1 Dy2 Co1 O5\n1.0\n3.557024 -0.000133 -1.011396\n-0.706899 5.183215 -2.485794\n-0.007139 -0.007165 6.734361\nBa Dy Co O\n1 2 1 5\ndirect\n0.999998 0.000001 -0.000000 Ba\n0.796820 0.296828 0.593653 Dy\n0.203179 0.703173 0.406347 Dy\n0.500002 0.500000 -0.000000 Co\n0.650334 0.408962 0.300655 O\n0.349666 0.108290 0.699361 O\n0.349665 0.591038 0.699346 O\n0.650334 0.891710 0.300639 O\n-0.000002 0.500000 0.000000 O\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Ba",
"Dy",
"Co",
"O"
],
"chemical_system": "Ba-Co-Dy-O",
"density": 8.048218874924057,
"density_atomic": 0.07254924617400674,
"volume": 124.05366664201895,
"volume_molar": 8.300762692359497,
"formula_full": "Ba1 Dy2 Co1 O5",
"formula_reduced": "BaDy2CoO5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 2.024510818888889,
"spacegroup": 71
}
]
}