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_full&page=367",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_full&page=365",
"results": [
{
"id": "jvasp-11123",
"created_at": "2022-09-04T14:38:11.245538Z",
"updated_at": "2022-09-04T14:38:11.245569Z",
"structure_string": "Ba2 Sr1 Te1 O6\n1.0\n5.304493 -0.015437 2.995421\n1.741348 5.010548 2.995421\n-0.021774 -0.015437 6.091775\nBa Sr Te O\n2 1 1 6\ndirect\n0.748540 0.748539 0.748540 Ba\n0.251460 0.251460 0.251460 Ba\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Te\n0.675182 0.281078 0.771800 O\n0.281079 0.771799 0.675181 O\n0.771800 0.675181 0.281079 O\n0.324819 0.718921 0.228200 O\n0.228201 0.324818 0.718922 O\n0.718922 0.228200 0.324819 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Sr",
"Te",
"O"
],
"chemical_system": "Ba-O-Sr-Te",
"density": 5.984402335113846,
"density_atomic": 0.06151345628484141,
"volume": 162.56605633886764,
"volume_molar": 9.789956740707511,
"formula_full": "Ba2 Sr1 Te1 O6",
"formula_reduced": "Ba2SrTeO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.4624557016666664,
"spacegroup": 148
},
{
"id": "jvasp-69226",
"created_at": "2022-09-04T14:36:17.532831Z",
"updated_at": "2022-09-04T14:36:17.532869Z",
"structure_string": "Ba2 Sr1 W1\n1.0\n-0.000000 4.185137 4.185137\n4.185137 -0.000000 4.185137\n4.185137 4.185137 -0.000000\nBa Sr W\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750001 0.750001 0.750001 Ba\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 W\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Sr",
"W"
],
"chemical_system": "Ba-Sr-W",
"density": 6.18547953682134,
"density_atomic": 0.027283555046536404,
"volume": 146.60846041424475,
"volume_molar": 22.072419630536743,
"formula_full": "Ba2 Sr1 W1",
"formula_reduced": "Ba2SrW",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.0033920625,
"spacegroup": 225
},
{
"id": "jvasp-11491",
"created_at": "2022-09-04T14:38:15.961803Z",
"updated_at": "2022-09-04T14:38:15.961819Z",
"structure_string": "Ba2 Sr1 W1 O6\n1.0\n5.265795 -0.000000 3.024372\n1.783177 4.975402 2.991652\n-0.027914 -0.027458 6.144980\nBa Sr W O\n2 1 1 6\ndirect\n0.247794 0.745785 0.758627 Ba\n0.752208 0.254214 0.241371 Ba\n0.000001 0.500000 0.500000 Sr\n0.500000 -0.000000 -0.000000 W\n0.234170 0.257860 0.821795 O\n0.313825 0.742140 0.178204 O\n0.765833 0.742140 0.178203 O\n0.686177 0.257860 0.821795 O\n0.719496 0.852207 0.708803 O\n0.280506 0.147792 0.291196 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Sr",
"W",
"O"
],
"chemical_system": "Ba-O-Sr-W",
"density": 6.59401429303972,
"density_atomic": 0.061843075987961,
"volume": 161.6995894891564,
"volume_molar": 9.737776887379164,
"formula_full": "Ba2 Sr1 W1 O6",
"formula_reduced": "Ba2SrWO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.258437925,
"spacegroup": 12
},
{
"id": "jvasp-50956",
"created_at": "2022-09-04T14:36:47.138392Z",
"updated_at": "2022-09-04T14:36:47.138416Z",
"structure_string": "Ba2 Sr2 I8\n1.0\n-1.812590 0.000000 8.475581\n3.242012 -7.427318 4.254470\n3.242012 7.427318 4.254470\nBa Sr I\n2 2 8\ndirect\n0.750000 0.233183 0.266817 Ba\n0.250000 0.766817 0.733182 Ba\n0.250000 0.381739 0.118261 Sr\n0.750000 0.618260 0.881739 Sr\n0.257212 0.997563 0.119907 I\n0.930508 0.763364 0.126797 I\n0.430508 0.626797 0.263364 I\n0.242789 0.380092 0.502437 I\n0.757212 0.619907 0.497563 I\n0.569492 0.373202 0.736635 I\n0.069493 0.236635 0.873202 I\n0.742789 0.002437 0.880093 I\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ba",
"Sr",
"I"
],
"chemical_system": "Ba-I-Sr",
"density": 4.654247997897843,
"density_atomic": 0.02295649492640848,
"volume": 522.7278832621591,
"volume_molar": 26.232840768179752,
"formula_full": "Ba2 Sr2 I8",
"formula_reduced": "BaSrI4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0012783333333333,
"spacegroup": 15
},
{
"id": "jvasp-50370",
"created_at": "2022-09-04T14:35:50.719570Z",
"updated_at": "2022-09-04T14:35:50.719580Z",
"structure_string": "Ba2 Sr2 I8\n1.0\n6.251506 0.000000 -0.000000\n-3.125754 11.494456 0.000000\n-0.000000 0.000000 8.068124\nBa Sr I\n2 2 8\ndirect\n0.180738 0.361473 0.913267 Ba\n0.819264 0.638527 0.413267 Ba\n0.412364 0.824728 0.994346 Sr\n0.587638 0.175272 0.494346 Sr\n0.111683 0.223366 0.514350 I\n0.453607 0.907212 0.382920 I\n0.317880 0.635757 0.691237 I\n0.288855 0.577707 0.213586 I\n0.888319 0.776634 0.014350 I\n0.711146 0.422294 0.713586 I\n0.546394 0.092788 0.882920 I\n0.682122 0.364243 0.191237 I\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ba",
"Sr",
"I"
],
"chemical_system": "Ba-I-Sr",
"density": 4.1964258011094975,
"density_atomic": 0.020698344320227668,
"volume": 579.7565164800586,
"volume_molar": 29.094794573084773,
"formula_full": "Ba2 Sr2 I8",
"formula_reduced": "BaSrI4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0104749999999999,
"spacegroup": 36
},
{
"id": "jvasp-117035",
"created_at": "2022-09-04T14:38:47.805552Z",
"updated_at": "2022-09-04T14:38:47.805570Z",
"structure_string": "Ba2 Sr2 Mg2 Si4 O14\n1.0\n8.155322 -0.000000 0.000000\n0.000000 5.298872 0.089848\n-0.000000 -0.006828 8.161398\nBa Sr Mg Si O\n2 2 2 4 14\ndirect\n0.166536 0.487531 0.088912 Ba\n0.666536 0.512468 0.911088 Ba\n0.833375 0.495831 0.416141 Sr\n0.333375 0.504168 0.583860 Sr\n0.500232 0.997891 0.252667 Mg\n0.000232 0.002108 0.747333 Mg\n0.637837 0.054991 0.600492 Si\n0.137837 0.945008 0.399508 Si\n0.361564 0.043472 0.876397 Si\n0.861564 0.956528 0.123604 Si\n0.139428 0.250273 0.405131 O\n0.639428 0.749726 0.594869 O\n0.809534 0.188541 0.661166 O\n0.309534 0.811458 0.338835 O\n0.193348 0.190515 0.818508 O\n0.693348 0.809484 0.181493 O\n0.499533 0.151982 0.739283 O\n0.422601 0.164866 0.050398 O\n0.077996 0.793609 0.566730 O\n0.577995 0.206390 0.433271 O\n0.358015 0.738374 0.871835 O\n0.999532 0.848017 0.260718 O\n0.922601 0.835133 0.949603 O\n0.858015 0.261625 0.128165 O\n",
"nsites": 24,
"nelements": 5,
"elements": [
"Ba",
"Sr",
"Mg",
"Si",
"O"
],
"chemical_system": "Ba-Mg-O-Si-Sr",
"density": 3.930572745224369,
"density_atomic": 0.0680480965802425,
"volume": 352.6917166845238,
"volume_molar": 8.849829844834344,
"formula_full": "Ba2 Sr2 Mg2 Si4 O14",
"formula_reduced": "BaSrMgSi2O7",
"formula_anonymous": "ABCD2E7",
"energy_above_hull": 1.9177410858333332,
"spacegroup": 4
},
{
"id": "jvasp-119208",
"created_at": "2022-09-04T14:38:50.291288Z",
"updated_at": "2022-09-04T14:38:50.291315Z",
"structure_string": "Ba2 Sr2 Pd2 F12\n1.0\n9.033410 -0.013633 0.000000\n-7.019542 5.685834 0.000000\n-0.000000 -0.000000 6.012476\nBa Sr Pd F\n2 2 2 12\ndirect\n0.336290 0.663709 0.500000 Ba\n0.836291 0.163710 -0.000000 Ba\n0.659918 0.340082 0.500000 Sr\n0.159918 0.840081 -0.000000 Sr\n0.004216 0.995782 0.500000 Pd\n0.504217 0.495783 -0.000000 Pd\n0.252637 0.077351 0.334510 F\n0.922649 0.747363 0.665491 F\n0.581308 0.742061 0.162164 F\n0.257939 0.418691 0.837836 F\n0.757939 0.918691 0.662165 F\n0.484682 -0.000359 0.748731 F\n0.000360 0.515318 0.251270 F\n0.752637 0.577351 0.165491 F\n0.984682 0.499641 0.751270 F\n0.500360 0.015318 0.248731 F\n0.081308 0.242061 0.337836 F\n0.422649 0.247363 0.834510 F\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Ba",
"Sr",
"Pd",
"F"
],
"chemical_system": "Ba-F-Pd-Sr",
"density": 4.798422152073696,
"density_atomic": 0.058396009925747366,
"volume": 308.24023803831204,
"volume_molar": 10.312589452014564,
"formula_full": "Ba2 Sr2 Pd2 F12",
"formula_reduced": "BaSrPdF6",
"formula_anonymous": "ABCD6",
"energy_above_hull": 0.0,
"spacegroup": 41
},
{
"id": "jvasp-24252",
"created_at": "2022-09-04T14:37:41.101115Z",
"updated_at": "2022-09-04T14:37:41.101134Z",
"structure_string": "Ba2 Sr2 Ta4 O14\n1.0\n3.956146 0.000000 -0.730365\n-0.519460 7.355301 -2.813741\n0.006347 0.017926 11.114128\nBa Sr Ta O\n2 2 4 14\ndirect\n0.738852 0.238851 0.477701 Ba\n0.261150 0.761150 0.522299 Ba\n0.500001 0.500000 -0.000000 Sr\n0.500000 0.000000 -0.000000 Sr\n0.102833 0.854879 0.205666 Ta\n0.102833 0.350787 0.205666 Ta\n0.897169 0.145122 0.794334 Ta\n0.897169 0.649213 0.794334 Ta\n0.592286 0.845618 0.184570 O\n0.078746 0.078746 0.157491 O\n0.886362 0.386361 0.772721 O\n0.193150 0.991790 0.386297 O\n0.000000 0.289426 0.000000 O\n0.193149 0.394509 0.386297 O\n0.592286 0.338953 0.184570 O\n0.000000 0.710573 0.000000 O\n0.806852 0.008211 0.613703 O\n0.806852 0.605492 0.613703 O\n0.407716 0.154382 0.815430 O\n0.921256 0.921255 0.842509 O\n0.407716 0.661047 0.815430 O\n0.113640 0.613640 0.227279 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Ba",
"Sr",
"Ta",
"O"
],
"chemical_system": "Ba-O-Sr-Ta",
"density": 7.171087709691445,
"density_atomic": 0.06797539844608888,
"volume": 323.64650304254036,
"volume_molar": 8.859294535472483,
"formula_full": "Ba2 Sr2 Ta4 O14",
"formula_reduced": "BaSrTa2O7",
"formula_anonymous": "ABC2D7",
"energy_above_hull": 2.9457668345454544,
"spacegroup": 71
},
{
"id": "jvasp-112379",
"created_at": "2022-09-04T14:38:39.574710Z",
"updated_at": "2022-09-04T14:38:39.574733Z",
"structure_string": "Ba2 Sr3 Ca1 Mg2 Si4 O16\n1.0\n5.502339 -0.000000 0.000000\n-2.751169 4.765166 0.000000\n-0.000000 -0.000000 13.998334\nBa Sr Ca Mg Si O\n2 3 1 2 4 16\ndirect\n0.333334 0.666667 0.251557 Ba\n0.333334 0.666667 0.748829 Ba\n0.666667 0.333334 0.920227 Sr\n0.000000 0.000000 0.080282 Sr\n0.000000 0.000000 0.578197 Sr\n0.666667 0.333334 0.417794 Ca\n0.333334 0.666667 0.001713 Mg\n0.333334 0.666667 0.498210 Mg\n0.000000 0.000000 0.864345 Si\n0.000000 0.000000 0.363351 Si\n0.666667 0.333334 0.633309 Si\n0.666667 0.333334 0.139709 Si\n0.158991 0.317981 0.912172 O\n0.158767 0.317535 0.410885 O\n0.158991 0.841010 0.912172 O\n0.158767 0.841233 0.410885 O\n0.983835 0.491918 0.585705 O\n0.983776 0.491888 0.091275 O\n0.508083 0.016165 0.585705 O\n0.666667 0.333334 0.748910 O\n0.508083 0.491918 0.585705 O\n0.508112 0.491888 0.091275 O\n0.000000 0.000000 0.749140 O\n0.000000 0.000000 0.248292 O\n0.682466 0.841233 0.410885 O\n0.666667 0.333334 0.256010 O\n0.508112 0.016224 0.091275 O\n0.682019 0.841010 0.912172 O\n",
"nsites": 28,
"nelements": 6,
"elements": [
"Ba",
"Sr",
"Ca",
"Mg",
"Si",
"O"
],
"chemical_system": "Ba-Ca-Mg-O-Si-Sr",
"density": 4.49953026403564,
"density_atomic": 0.07628801267924634,
"volume": 367.030140341003,
"volume_molar": 7.89395417248598,
"formula_full": "Ba2 Sr3 Ca1 Mg2 Si4 O16",
"formula_reduced": "Ba2Sr3CaMg2(SiO4)4",
"formula_anonymous": "AB2C2D3E4F16",
"energy_above_hull": 2.028571778214285,
"spacegroup": 156
},
{
"id": "jvasp-50970",
"created_at": "2022-09-04T14:36:55.288621Z",
"updated_at": "2022-09-04T14:36:55.288635Z",
"structure_string": "Ba2 Sr4 I12\n1.0\n7.773339 0.000000 0.000000\n-0.000000 7.773339 0.000000\n0.000000 0.000000 15.077403\nBa Sr I\n2 4 12\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.333049 Sr\n0.000000 0.000000 0.666951 Sr\n0.500000 0.500000 0.166951 Sr\n0.500000 0.500000 0.833048 Sr\n0.809735 0.190265 0.500000 I\n0.690265 0.690265 0.000000 I\n0.702749 0.702749 0.673894 I\n0.702749 0.702749 0.326106 I\n0.297251 0.297251 0.673894 I\n0.190265 0.809735 0.500000 I\n0.309735 0.309735 0.000000 I\n0.797251 0.202749 0.173894 I\n0.202749 0.797251 0.826106 I\n0.202749 0.797251 0.173894 I\n0.297251 0.297251 0.326106 I\n0.797251 0.202749 0.826106 I\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ba",
"Sr",
"I"
],
"chemical_system": "Ba-I-Sr",
"density": 3.915066258210546,
"density_atomic": 0.019757443380667063,
"volume": 911.0490488669832,
"volume_molar": 30.48036450856162,
"formula_full": "Ba2 Sr4 I12",
"formula_reduced": "BaSr2I6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.0068444444444448,
"spacegroup": 136
},
{
"id": "jvasp-119596",
"created_at": "2022-09-04T14:38:26.029708Z",
"updated_at": "2022-09-04T14:38:26.029730Z",
"structure_string": "Ba2 Sr4 I12\n1.0\n12.601910 -0.442504 1.577140\n10.250096 7.344351 1.577140\n0.269044 0.081258 8.243485\nBa Sr I\n2 4 12\ndirect\n0.753083 0.246917 0.250000 Ba\n0.246916 0.753084 0.750000 Ba\n0.018269 0.626997 0.230717 Sr\n0.626997 0.018269 0.730717 Sr\n0.373003 0.981731 0.269282 Sr\n0.981730 0.373003 0.769282 Sr\n0.029766 0.154216 0.512342 I\n0.154216 0.029766 0.012343 I\n0.724155 0.739724 0.517312 I\n0.739723 0.724156 0.017312 I\n0.260276 0.275845 0.982687 I\n0.970234 0.845785 0.487657 I\n0.845784 0.970234 0.987657 I\n0.503218 0.644298 0.389290 I\n0.496781 0.355703 0.610709 I\n0.355703 0.496782 0.110710 I\n0.275844 0.260277 0.482688 I\n0.644297 0.503219 0.889290 I\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ba",
"Sr",
"I"
],
"chemical_system": "Ba-I-Sr",
"density": 4.476750158396282,
"density_atomic": 0.022591990007426888,
"volume": 796.7425620356012,
"volume_molar": 26.656088100341236,
"formula_full": "Ba2 Sr4 I12",
"formula_reduced": "BaSr2I6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.0,
"spacegroup": 15
},
{
"id": "jvasp-37892",
"created_at": "2022-09-04T14:38:02.976477Z",
"updated_at": "2022-09-04T14:38:02.976504Z",
"structure_string": "Ba2 Sr6\n1.0\n4.250669 -7.362374 -0.000000\n4.250669 7.362374 -0.000000\n-0.000000 -0.000000 6.986456\nBa Sr\n2 6\ndirect\n0.333333 0.666667 0.250000 Ba\n0.666667 0.333333 0.750000 Ba\n0.667075 0.833538 0.750000 Sr\n0.166462 0.332925 0.750000 Sr\n0.166462 0.833538 0.750000 Sr\n0.332925 0.166462 0.250000 Sr\n0.833538 0.667075 0.250000 Sr\n0.833538 0.166462 0.250000 Sr\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ba",
"Sr"
],
"chemical_system": "Ba-Sr",
"density": 3.0393448775273844,
"density_atomic": 0.018294809853373666,
"volume": 437.2824896305088,
"volume_molar": 32.91720880547706,
"formula_full": "Ba2 Sr6",
"formula_reduced": "BaSr3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.039040909090909,
"spacegroup": 194
}
]
}