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=200",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=198",
"results": [
{
"id": "jvasp-69264",
"created_at": "2022-09-04T14:36:20.173143Z",
"updated_at": "2022-09-04T14:36:20.173161Z",
"structure_string": "Ba2 Sr1 P1\n1.0\n-0.000000 4.179986 4.179986\n4.179986 -0.000000 4.179986\n4.179986 4.179986 0.000000\nBa Sr P\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750001 0.750001 0.750001 Ba\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 P\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Sr",
"P"
],
"chemical_system": "Ba-P-Sr",
"density": 4.470549211330744,
"density_atomic": 0.02738454403149991,
"volume": 146.06779632331572,
"volume_molar": 21.991020749050442,
"formula_full": "Ba2 Sr1 P1",
"formula_reduced": "Ba2SrP",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.4431734375,
"spacegroup": 225
},
{
"id": "jvasp-112709",
"created_at": "2022-09-04T14:38:42.492501Z",
"updated_at": "2022-09-04T14:38:42.492519Z",
"structure_string": "Ba2 Sr1 P2 O8\n1.0\n5.182405 -0.006301 5.635484\n2.193079 4.695504 5.635484\n-0.009911 -0.006301 7.656102\nBa Sr P O\n2 1 2 8\ndirect\n0.206747 0.206747 0.206747 Ba\n0.793252 0.793252 0.793252 Ba\n0.000000 0.000000 0.000000 Sr\n0.403578 0.403578 0.403578 P\n0.596421 0.596421 0.596421 P\n0.276295 0.734287 0.276294 O\n0.276295 0.276295 0.734287 O\n0.734287 0.276295 0.276294 O\n0.723705 0.265713 0.723705 O\n0.723705 0.723705 0.265712 O\n0.265713 0.723705 0.723705 O\n0.329850 0.329850 0.329850 O\n0.670149 0.670150 0.670149 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Ba",
"Sr",
"P",
"O"
],
"chemical_system": "Ba-O-P-Sr",
"density": 4.909446596343346,
"density_atomic": 0.06960128213579711,
"volume": 186.77816846298987,
"volume_molar": 8.652341702916292,
"formula_full": "Ba2 Sr1 P2 O8",
"formula_reduced": "Ba2Sr(PO4)2",
"formula_anonymous": "AB2C2D8",
"energy_above_hull": 2.048895173076924,
"spacegroup": 166
},
{
"id": "jvasp-69069",
"created_at": "2022-09-04T14:36:08.609462Z",
"updated_at": "2022-09-04T14:36:08.609478Z",
"structure_string": "Ba2 Sr1 Si1\n1.0\n0.000000 4.226266 4.226266\n4.226266 0.000000 4.226266\n4.226266 4.226266 -0.000000\nBa Sr Si\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750001 0.750001 0.750001 Ba\n0.500001 0.500001 0.500001 Sr\n0.000000 0.000000 0.000000 Si\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Sr",
"Si"
],
"chemical_system": "Ba-Si-Sr",
"density": 4.293518821011134,
"density_atomic": 0.026494730836343048,
"volume": 150.97341523142276,
"volume_molar": 22.729578938538896,
"formula_full": "Ba2 Sr1 Si1",
"formula_reduced": "Ba2SrSi",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.5212567124999998,
"spacegroup": 225
},
{
"id": "jvasp-65579",
"created_at": "2022-09-04T14:36:18.398812Z",
"updated_at": "2022-09-04T14:36:18.398847Z",
"structure_string": "Ba2 Sr1 Tc1\n1.0\n-0.000000 4.086985 4.086985\n4.086985 -0.000000 4.086985\n4.086985 4.086985 0.000000\nBa Sr Tc\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\n0.500001 0.500001 0.500001 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Sr",
"Tc"
],
"chemical_system": "Ba-Sr-Tc",
"density": 5.597916467470439,
"density_atomic": 0.029296845740996794,
"volume": 136.5334696903075,
"volume_molar": 20.555594323155635,
"formula_full": "Ba2 Sr1 Tc1",
"formula_reduced": "Ba2SrTc",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.2889874374999997,
"spacegroup": 225
},
{
"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-95306",
"created_at": "2022-09-04T14:36:17.310342Z",
"updated_at": "2022-09-04T14:36:17.310367Z",
"structure_string": "Ba4 Sr2 U2 O12\n1.0\n6.289890 0.000000 -0.025304\n0.000000 6.334720 0.000000\n0.001489 0.000000 8.888867\nBa Sr U O\n4 2 2 12\ndirect\n0.491512 0.533882 0.249210 Ba\n0.008488 0.033882 0.250790 Ba\n0.991512 0.966118 0.749210 Ba\n0.508488 0.466118 0.750791 Ba\n0.500000 0.000000 0.000000 Sr\n0.000000 0.500000 0.500000 Sr\n0.500000 0.000000 0.500000 U\n0.000000 0.500000 0.000000 U\n0.689517 0.733965 0.551050 O\n0.810483 0.233965 0.948951 O\n0.912750 0.471134 0.227452 O\n0.265134 0.307706 0.042686 O\n0.234866 0.807706 0.457314 O\n0.734866 0.692294 0.957314 O\n0.765134 0.192294 0.542687 O\n0.412750 0.028866 0.727452 O\n0.087250 0.528866 0.772549 O\n0.587250 0.971134 0.272549 O\n0.189517 0.766035 0.051050 O\n0.310483 0.266035 0.448951 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ba",
"Sr",
"U",
"O"
],
"chemical_system": "Ba-O-Sr-U",
"density": 6.529168599250721,
"density_atomic": 0.05646935419776286,
"volume": 354.17440635069875,
"volume_molar": 10.664440643166728,
"formula_full": "Ba4 Sr2 U2 O12",
"formula_reduced": "Ba2SrUO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.986906525,
"spacegroup": 14
},
{
"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-21158",
"created_at": "2022-09-04T14:37:30.400220Z",
"updated_at": "2022-09-04T14:37:30.400247Z",
"structure_string": "Ba2 Ta6 Te2 O21\n1.0\n5.728635 0.000000 0.000000\n-2.864317 8.385278 -0.986500\n0.000000 -0.015876 9.674633\nBa Ta Te O\n2 6 2 21\ndirect\n0.137648 0.275295 0.527272 Ba\n0.862351 0.724704 0.472728 Ba\n0.676651 0.353302 0.175188 Ta\n0.479129 0.958260 0.335763 Ta\n0.520870 0.041740 0.664237 Ta\n0.900233 0.800467 0.080426 Ta\n0.099766 0.199533 0.919574 Ta\n0.323348 0.646698 0.824812 Ta\n0.275259 0.550519 0.246748 Te\n0.724739 0.449480 0.753252 Te\n0.897922 0.292334 0.053849 O\n0.394411 0.292334 0.053849 O\n0.102076 0.707666 0.946151 O\n0.458908 0.436388 0.331546 O\n0.022520 0.563612 0.668454 O\n0.582102 0.164205 0.279454 O\n0.641765 0.283531 0.601819 O\n0.358234 0.716469 0.398181 O\n0.722207 -0.000000 0.500000 O\n0.277792 -0.000000 0.500000 O\n0.605587 0.707666 0.946151 O\n0.824224 0.132276 0.779828 O\n0.691947 0.867724 0.220172 O\n0.175775 0.867724 0.220172 O\n0.308051 0.132276 0.779828 O\n0.000000 0.000000 0.000000 O\n0.208952 0.417903 0.846935 O\n0.791047 0.582097 0.153064 O\n0.417897 0.835795 0.720546 O\n0.977479 0.436388 0.331546 O\n0.541091 0.563612 0.668454 O\n",
"nsites": 31,
"nelements": 4,
"elements": [
"Ba",
"Ta",
"Te",
"O"
],
"chemical_system": "Ba-O-Ta-Te",
"density": 6.97436657804172,
"density_atomic": 0.0667179093180921,
"volume": 464.6428570206057,
"volume_molar": 9.026273187440779,
"formula_full": "Ba2 Ta6 Te2 O21",
"formula_reduced": "Ba2Ta6Te2O21",
"formula_anonymous": "A2B2C6D21",
"energy_above_hull": 3.74332116688172,
"spacegroup": 12
},
{
"id": "jvasp-65521",
"created_at": "2022-09-04T14:36:16.610789Z",
"updated_at": "2022-09-04T14:36:16.610815Z",
"structure_string": "Ba2 Ta1 Bi1\n1.0\n0.000000 4.198508 4.198508\n4.198508 -0.000000 4.198508\n4.198508 4.198508 -0.000000\nBa Ta Bi\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Ta\n0.000000 0.000000 0.000000 Bi\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Ta",
"Bi"
],
"chemical_system": "Ba-Bi-Ta",
"density": 7.4556052248635165,
"density_atomic": 0.027023714282984244,
"volume": 148.01814281017027,
"volume_molar": 22.284652275915686,
"formula_full": "Ba2 Ta1 Bi1",
"formula_reduced": "Ba2TaBi",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.88959636,
"spacegroup": 225
},
{
"id": "jvasp-12490",
"created_at": "2022-09-04T14:38:04.252477Z",
"updated_at": "2022-09-04T14:38:04.252498Z",
"structure_string": "Ba2 Ta1 Bi1 O6\n1.0\n5.288710 -0.016913 2.990983\n1.736778 4.995431 2.990983\n-0.023865 -0.016912 6.075842\nBa Ta Bi O\n2 1 1 6\ndirect\n0.251196 0.251196 0.251196 Ba\n0.748804 0.748805 0.748803 Ba\n0.500000 0.500000 0.499999 Ta\n0.000000 0.000000 0.000000 Bi\n0.274719 0.783592 0.675576 O\n0.783591 0.675577 0.274718 O\n0.675576 0.274720 0.783591 O\n0.725281 0.216409 0.324423 O\n0.324424 0.725281 0.216408 O\n0.216408 0.324424 0.725281 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Ta",
"Bi",
"O"
],
"chemical_system": "Ba-Bi-O-Ta",
"density": 7.83305906096427,
"density_atomic": 0.06202091315894079,
"volume": 161.23593624577944,
"volume_molar": 9.709855036424699,
"formula_full": "Ba2 Ta1 Bi1 O6",
"formula_reduced": "Ba2TaBiO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.309176644,
"spacegroup": 148
},
{
"id": "jvasp-34276",
"created_at": "2022-09-04T14:36:34.075815Z",
"updated_at": "2022-09-04T14:36:34.075836Z",
"structure_string": "Ba2 Ta1 Bi1 O6\n1.0\n5.307692 -0.000001 3.064398\n1.769231 5.004097 3.064398\n0.000000 0.000000 6.128796\nBa Ta Bi O\n2 1 1 6\ndirect\n0.749999 0.750001 0.750001 Ba\n0.250000 0.250000 0.250000 Ba\n0.500000 0.500000 0.500001 Ta\n0.000000 0.000000 -0.000000 Bi\n0.730865 0.730866 0.269135 O\n0.269134 0.730866 0.730866 O\n0.269134 0.730866 0.269135 O\n0.269134 0.269136 0.730866 O\n0.730864 0.269135 0.269135 O\n0.730864 0.269135 0.730866 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Ta",
"Bi",
"O"
],
"chemical_system": "Ba-Bi-O-Ta",
"density": 7.758658153789711,
"density_atomic": 0.061431818634450935,
"volume": 162.78209277027662,
"volume_molar": 9.802966758699844,
"formula_full": "Ba2 Ta1 Bi1 O6",
"formula_reduced": "Ba2TaBiO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.310710644,
"spacegroup": 225
}
]
}