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=-chemical_system&page=3852",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-chemical_system&page=3850",
"results": [
{
"id": "jvasp-117589",
"created_at": "2022-09-04T14:38:46.265614Z",
"updated_at": "2022-09-04T14:38:46.265639Z",
"structure_string": "Ba1 O1 F1\n1.0\n4.519870 -0.000000 0.000000\n-2.259935 3.914322 -0.000000\n-0.000000 0.000000 4.508632\nBa O F\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.666668 0.333334 0.000000 O\n0.333335 0.666667 0.000000 F\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"O",
"F"
],
"chemical_system": "Ba-F-O",
"density": 3.58731577199747,
"density_atomic": 0.03760918939555616,
"volume": 79.7677389014525,
"volume_molar": 16.012418392382493,
"formula_full": "Ba1 O1 F1",
"formula_reduced": "BaOF",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0439960799999998,
"spacegroup": 187
},
{
"id": "jvasp-91446",
"created_at": "2022-09-04T14:36:03.672482Z",
"updated_at": "2022-09-04T14:36:03.672504Z",
"structure_string": "Ba2 Ni1 F6\n1.0\n3.991737 0.000000 -0.976681\n-0.238970 3.984578 -0.976681\n-0.016162 -0.017160 8.579494\nBa Ni F\n2 1 6\ndirect\n0.850816 0.850815 0.701631 Ba\n0.149185 0.149185 0.298369 Ba\n0.500000 0.500000 0.000000 Ni\n0.620570 0.620570 0.241139 F\n0.379431 0.379430 0.758860 F\n0.000000 0.500000 0.000000 F\n0.750001 0.250000 0.500000 F\n0.250000 0.750000 0.500000 F\n0.500000 0.000000 0.000000 F\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ba",
"Ni",
"F"
],
"chemical_system": "Ba-F-Ni",
"density": 5.4488497593046255,
"density_atomic": 0.06601804039413056,
"volume": 136.32637300758415,
"volume_molar": 9.121962306132627,
"formula_full": "Ba2 Ni1 F6",
"formula_reduced": "Ba2NiF6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-85447",
"created_at": "2022-09-04T14:35:45.281690Z",
"updated_at": "2022-09-04T14:35:45.281723Z",
"structure_string": "Ba1 Ni1 F6\n1.0\n4.805402 -0.031670 -0.704612\n-0.810914 4.736593 -0.704612\n-0.026888 -0.031670 4.856712\nBa Ni F\n1 1 6\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Ni\n0.733048 0.733047 0.073681 F\n0.733047 0.073681 0.733048 F\n0.266952 0.926319 0.266952 F\n0.266952 0.266952 0.926319 F\n0.926319 0.266952 0.266952 F\n0.073681 0.733047 0.733048 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ba",
"Ni",
"F"
],
"chemical_system": "Ba-F-Ni",
"density": 4.671186060199112,
"density_atomic": 0.07259240836299223,
"volume": 110.20436131553416,
"volume_molar": 8.295827202600568,
"formula_full": "Ba1 Ni1 F6",
"formula_reduced": "BaNiF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 166
},
{
"id": "jvasp-90501",
"created_at": "2022-09-04T14:36:20.628630Z",
"updated_at": "2022-09-04T14:36:20.628654Z",
"structure_string": "Ba2 Ni1 F6\n1.0\n3.995426 -0.000000 -0.962052\n-0.231651 3.988704 -0.962052\n-0.047901 -0.050764 8.578642\nBa Ni F\n2 1 6\ndirect\n0.850822 0.850820 0.701640 Ba\n0.149180 0.149180 0.298360 Ba\n0.500001 0.499999 0.000000 Ni\n0.620576 0.620575 0.241152 F\n0.379425 0.379425 0.758848 F\n0.000000 0.499999 0.000000 F\n0.750001 0.250000 0.500000 F\n0.250001 0.750000 0.500000 F\n0.500000 0.000000 0.000000 F\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ba",
"Ni",
"F"
],
"chemical_system": "Ba-F-Ni",
"density": 5.44894899431399,
"density_atomic": 0.06601924272143744,
"volume": 136.32389026294547,
"volume_molar": 9.121796179047234,
"formula_full": "Ba2 Ni1 F6",
"formula_reduced": "Ba2NiF6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 2.222222221903713e-06,
"spacegroup": 139
},
{
"id": "jvasp-111106",
"created_at": "2022-09-04T14:38:38.234851Z",
"updated_at": "2022-09-04T14:38:38.234874Z",
"structure_string": "Ba2 N1 F1\n1.0\n4.077260 -0.000000 0.000000\n0.000000 4.077260 0.000000\n-0.000000 -0.000000 5.565334\nBa N F\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.500000 N\n0.500000 0.500000 -0.000000 F\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"N",
"F"
],
"chemical_system": "Ba-F-N",
"density": 5.52192903176961,
"density_atomic": 0.043234649729732316,
"volume": 92.51838571619592,
"volume_molar": 13.928968541772631,
"formula_full": "Ba2 N1 F1",
"formula_reduced": "Ba2NF",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6806938681249999,
"spacegroup": 123
},
{
"id": "jvasp-117588",
"created_at": "2022-09-04T14:38:53.417586Z",
"updated_at": "2022-09-04T14:38:53.417616Z",
"structure_string": "Ba2 N1 F1\n1.0\n2.008785 1.159773 6.663910\n-2.008785 1.159773 6.663910\n-0.000000 -2.319545 6.663910\nBa N F\n2 1 1\ndirect\n0.757284 0.757284 0.757284 Ba\n0.242715 0.242715 0.242716 Ba\n0.500000 0.500000 0.500000 N\n0.000000 0.000000 0.000000 F\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"N",
"F"
],
"chemical_system": "Ba-F-N",
"density": 5.484438462758391,
"density_atomic": 0.042941112523795254,
"volume": 93.15082364909509,
"volume_molar": 14.024184298119687,
"formula_full": "Ba2 N1 F1",
"formula_reduced": "Ba2NF",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6386738681249999,
"spacegroup": 166
},
{
"id": "jvasp-117586",
"created_at": "2022-09-04T14:38:53.358085Z",
"updated_at": "2022-09-04T14:38:53.358109Z",
"structure_string": "Ba1 N1 F1\n1.0\n4.541273 0.000000 -0.000000\n-2.270637 3.932858 0.000000\n-0.000000 -0.000000 4.372888\nBa N F\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.666666 0.333334 0.000000 N\n0.333333 0.666668 0.000000 F\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"N",
"F"
],
"chemical_system": "Ba-F-N",
"density": 3.621524068001119,
"density_atomic": 0.038412009188589745,
"volume": 78.10057488196028,
"volume_molar": 15.677755179202842,
"formula_full": "Ba1 N1 F1",
"formula_reduced": "BaNF",
"formula_anonymous": "ABC",
"energy_above_hull": 1.2366965008333328,
"spacegroup": 187
},
{
"id": "jvasp-117587",
"created_at": "2022-09-04T14:38:46.254463Z",
"updated_at": "2022-09-04T14:38:46.254498Z",
"structure_string": "Ba1 N1 F1\n1.0\n4.634051 0.093875 0.000000\n-2.398911 3.965731 0.000000\n0.000000 0.000000 4.835694\nBa N F\n1 1 1\ndirect\n0.333358 0.000008 0.000000 Ba\n0.666713 0.666715 0.000000 N\n-0.000071 0.333278 0.000000 F\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"N",
"F"
],
"chemical_system": "Ba-F-N",
"density": 3.1442220309511413,
"density_atomic": 0.033349463727442005,
"volume": 89.95646900107164,
"volume_molar": 18.057683953234335,
"formula_full": "Ba1 N1 F1",
"formula_reduced": "BaNF",
"formula_anonymous": "ABC",
"energy_above_hull": 1.1238431674999996,
"spacegroup": 187
},
{
"id": "jvasp-53119",
"created_at": "2022-09-04T14:37:27.192967Z",
"updated_at": "2022-09-04T14:37:27.193003Z",
"structure_string": "Ba4 N2 F2\n1.0\n-5.720867 -0.000475 -0.001255\n-0.001449 -5.704597 -0.001439\n2.860155 2.851338 5.759789\nBa N F\n4 2 2\ndirect\n0.770983 0.767201 0.533880 Ba\n0.236467 0.233422 0.466007 Ba\n0.487210 0.983456 0.966345 Ba\n0.020559 0.517532 0.034218 Ba\n0.991496 0.997371 -0.000081 N\n0.241665 0.747610 0.500325 N\n0.500290 0.499777 0.000517 F\n0.749909 0.249377 0.499771 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ba",
"N",
"F"
],
"chemical_system": "Ba-F-N",
"density": 5.436970984042447,
"density_atomic": 0.042569459827060084,
"volume": 187.92815395121946,
"volume_molar": 14.146622448264921,
"formula_full": "Ba4 N2 F2",
"formula_reduced": "Ba2NF",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6583413681249999,
"spacegroup": 46
},
{
"id": "jvasp-35744",
"created_at": "2022-09-04T14:37:27.721192Z",
"updated_at": "2022-09-04T14:37:27.721227Z",
"structure_string": "Ba2 N1 F1\n1.0\n-2.009232 -3.480092 -0.000000\n-4.018465 0.000000 0.000000\n-2.009232 -1.160030 -6.673126\nBa N F\n2 1 1\ndirect\n0.757303 0.757302 0.728089 Ba\n0.242696 0.242696 0.271911 Ba\n0.500000 0.499999 0.500000 N\n0.000000 0.000000 0.000000 F\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"N",
"F"
],
"chemical_system": "Ba-F-N",
"density": 5.474426469828363,
"density_atomic": 0.042862722344396725,
"volume": 93.32118403167418,
"volume_molar": 14.049832653215155,
"formula_full": "Ba2 N1 F1",
"formula_reduced": "Ba2NF",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6472613681249999,
"spacegroup": 166
},
{
"id": "jvasp-90000",
"created_at": "2022-09-04T14:36:06.952003Z",
"updated_at": "2022-09-04T14:36:06.952013Z",
"structure_string": "Ba2 Mn2 Se2 O1 F2\n1.0\n4.286519 -0.000000 -0.000000\n-0.000000 4.286519 -0.000000\n-2.143259 -2.143259 9.817140\nBa Mn Se O F\n2 2 2 1 2\ndirect\n0.329683 0.329683 0.659365 Ba\n0.670317 0.670317 0.340635 Ba\n0.000000 0.500000 0.000000 Mn\n0.500000 0.000000 0.000000 Mn\n0.907257 0.907257 0.814513 Se\n0.092743 0.092743 0.185487 Se\n0.500000 0.500000 0.000000 O\n0.750000 0.250000 0.500000 F\n0.250000 0.750000 0.500000 F\n",
"nsites": 9,
"nelements": 5,
"elements": [
"Ba",
"Mn",
"Se",
"O",
"F"
],
"chemical_system": "Ba-F-Mn-O-Se",
"density": 5.49067771902646,
"density_atomic": 0.04989396509375303,
"volume": 180.38253690779217,
"volume_molar": 12.069878087829107,
"formula_full": "Ba2 Mn2 Se2 O1 F2",
"formula_reduced": "Ba2Mn2Se2OF2",
"formula_anonymous": "AB2C2D2E2",
"energy_above_hull": 1.446809691232439,
"spacegroup": 139
},
{
"id": "jvasp-34642",
"created_at": "2022-09-04T14:36:47.761649Z",
"updated_at": "2022-09-04T14:36:47.761669Z",
"structure_string": "Ba2 Mn2 F8\n1.0\n4.134889 -0.000000 -1.151005\n0.000000 5.984156 0.000000\n-0.054628 0.000000 7.806380\nBa Mn F\n2 2 8\ndirect\n0.847181 0.951761 0.694361 Ba\n0.152819 0.451760 0.305639 Ba\n0.413648 0.494911 0.827297 Mn\n0.586352 0.994912 0.172703 Mn\n0.921614 0.513109 0.843229 F\n0.078385 0.013109 0.156772 F\n0.463492 0.840276 0.926986 F\n0.536508 0.340276 0.073015 F\n0.701675 0.198156 0.403351 F\n0.298325 0.698156 0.596650 F\n0.669968 0.721390 0.339935 F\n0.330032 0.221390 0.660065 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ba",
"Mn",
"F"
],
"chemical_system": "Ba-F-Mn",
"density": 4.621289774727347,
"density_atomic": 0.06224602274687349,
"volume": 192.78340158050884,
"volume_molar": 9.67473983757859,
"formula_full": "Ba2 Mn2 F8",
"formula_reduced": "BaMnF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0866173902298849,
"spacegroup": 36
}
]
}