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=structure_string&page=311",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=structure_string&page=309",
"results": [
{
"id": "jvasp-24860",
"created_at": "2022-09-04T14:38:29.051373Z",
"updated_at": "2022-09-04T14:38:29.051400Z",
"structure_string": "Ba2 Al2 B2 O6 F4\n1.0\n2.460211 -4.261211 -0.000000\n2.460211 4.261211 0.000000\n0.000000 -0.000000 9.413785\nBa Al B O F\n2 2 2 6 4\ndirect\n0.000000 0.000000 0.749999 Ba\n0.000000 0.000000 0.250000 Ba\n0.666667 0.333333 0.000000 Al\n0.333333 0.666667 0.500000 Al\n0.333333 0.666667 0.000000 B\n0.666667 0.333333 0.500000 B\n0.944060 0.327132 0.500000 O\n0.055937 0.383069 0.000000 O\n0.383072 0.055940 0.500000 O\n0.327132 0.944062 0.000000 O\n0.616930 0.672868 0.000000 O\n0.672867 0.616928 0.500000 O\n0.666667 0.333333 0.802152 F\n0.333333 0.666667 0.697848 F\n0.333333 0.666667 0.302151 F\n0.666667 0.333333 0.197848 F\n",
"nsites": 16,
"nelements": 5,
"elements": [
"Ba",
"Al",
"B",
"O",
"F"
],
"chemical_system": "Al-B-Ba-F-O",
"density": 4.393498586142841,
"density_atomic": 0.08106256026069045,
"volume": 197.37841919309398,
"volume_molar": 7.42900389604436,
"formula_full": "Ba2 Al2 B2 O6 F4",
"formula_reduced": "BaAlBO3F2",
"formula_anonymous": "ABCD2E3",
"energy_above_hull": 1.4456453022916669,
"spacegroup": 190
},
{
"id": "jvasp-91741",
"created_at": "2022-09-04T14:36:06.588331Z",
"updated_at": "2022-09-04T14:36:06.588358Z",
"structure_string": "Ba2 Al2 Ge2 F2\n1.0\n4.264226 0.000000 -0.000000\n-0.000000 4.264226 -0.000000\n0.000000 -0.000000 9.884627\nBa Al Ge F\n2 2 2 2\ndirect\n0.750001 0.750001 0.840458 Ba\n0.250000 0.250000 0.159542 Ba\n0.750001 0.250000 0.500000 Al\n0.250000 0.750001 0.500000 Al\n0.750001 0.750001 0.342259 Ge\n0.250000 0.250000 0.657741 Ge\n0.750001 0.250000 0.000000 F\n0.250000 0.750001 0.000000 F\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Ba",
"Al",
"Ge",
"F"
],
"chemical_system": "Al-Ba-F-Ge",
"density": 4.729207008136185,
"density_atomic": 0.04450914724079212,
"volume": 179.73833461064586,
"volume_molar": 13.530119387416114,
"formula_full": "Ba2 Al2 Ge2 F2",
"formula_reduced": "BaAlGeF",
"formula_anonymous": "ABCD",
"energy_above_hull": 0.0635412506249999,
"spacegroup": 129
},
{
"id": "jvasp-35119",
"created_at": "2022-09-04T14:37:39.929923Z",
"updated_at": "2022-09-04T14:37:39.929950Z",
"structure_string": "Ba2 Al2 Si8 N10 O6\n1.0\n-0.000000 0.000000 -5.674543\n0.000000 -6.898558 2.837271\n-9.459789 0.000000 0.000000\nBa Al Si N O\n2 2 8 10 6\ndirect\n0.974355 0.948712 0.486836 Ba\n0.025645 0.051288 0.986837 Ba\n0.471161 0.942323 0.256829 Al\n0.528839 0.057678 0.756829 Al\n0.710904 0.421809 0.545902 Si\n0.289096 0.578192 0.045902 Si\n0.576469 0.655207 0.768228 Si\n0.078738 0.655207 0.768228 Si\n0.921261 0.344793 0.268228 Si\n0.702303 0.404606 0.988663 Si\n0.297697 0.595394 0.488663 Si\n0.423530 0.344793 0.268228 Si\n0.975297 0.447359 0.099674 N\n0.527938 0.552641 0.599674 N\n0.024703 0.552641 0.599674 N\n0.472062 0.447359 0.099674 N\n0.290434 0.580870 0.860432 N\n0.592267 0.184535 0.920647 N\n0.800168 0.600336 0.864692 N\n0.199832 0.399665 0.364692 N\n0.407733 0.815466 0.420647 N\n0.709566 0.419131 0.360432 N\n0.400648 0.801297 0.101010 O\n0.800377 0.106024 0.247692 O\n0.305646 0.106024 0.247692 O\n0.199622 0.893976 0.747692 O\n0.694354 0.893976 0.747692 O\n0.599352 0.198704 0.601010 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Ba",
"Al",
"Si",
"N",
"O"
],
"chemical_system": "Al-Ba-N-O-Si",
"density": 3.5396149035353157,
"density_atomic": 0.07561141584573403,
"volume": 370.3144516844774,
"volume_molar": 7.96459197680765,
"formula_full": "Ba2 Al2 Si8 N10 O6",
"formula_reduced": "BaAlSi4N5O3",
"formula_anonymous": "ABC3D4E5",
"energy_above_hull": 4.009332137142858,
"spacegroup": 36
},
{
"id": "jvasp-14777",
"created_at": "2022-09-04T14:38:10.467864Z",
"updated_at": "2022-09-04T14:38:10.467880Z",
"structure_string": "Ba2 Al4\n1.0\n5.250954 0.000000 3.031640\n1.750318 4.950648 3.031640\n0.000000 -0.000000 6.063280\nBa Al\n2 4\ndirect\n0.125000 0.125000 0.125000 Ba\n0.874999 0.875000 0.875000 Ba\n0.500000 -0.000000 0.500000 Al\n0.000000 0.500000 0.500000 Al\n0.500000 0.500000 0.500000 Al\n0.500000 0.500000 0.000000 Al\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ba",
"Al"
],
"chemical_system": "Al-Ba",
"density": 4.030543839423269,
"density_atomic": 0.03806653649373794,
"volume": 157.61875265397518,
"volume_molar": 15.820038581631037,
"formula_full": "Ba2 Al4",
"formula_reduced": "BaAl2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.8292405233333332,
"spacegroup": 227
},
{
"id": "jvasp-96072",
"created_at": "2022-09-04T14:36:01.445126Z",
"updated_at": "2022-09-04T14:36:01.445151Z",
"structure_string": "Ba2 Al4 Cl16\n1.0\n7.199588 0.000000 0.000000\n0.000000 7.225849 -1.566906\n0.000000 -0.042752 12.543314\nBa Al Cl\n2 4 16\ndirect\n0.136396 0.500000 0.250000 Ba\n0.863604 0.500000 0.750000 Ba\n0.283094 0.710924 0.946239 Al\n0.283094 0.289077 0.553760 Al\n0.716906 0.289077 0.053761 Al\n0.716906 0.710924 0.446239 Al\n0.794209 0.579155 0.101766 Cl\n0.205791 0.420846 0.898233 Cl\n0.205791 0.579155 0.601766 Cl\n0.442860 0.242613 0.111897 Cl\n0.442860 0.757388 0.388102 Cl\n0.557140 0.757388 0.888102 Cl\n0.557140 0.242613 0.611897 Cl\n0.919050 0.862682 0.373080 Cl\n0.080950 0.862682 0.873080 Cl\n0.714305 0.206958 0.877784 Cl\n0.714305 0.793042 0.622215 Cl\n0.285695 0.793042 0.122215 Cl\n0.285695 0.206958 0.377784 Cl\n0.794209 0.420846 0.398233 Cl\n0.919050 0.137318 0.126919 Cl\n0.080950 0.137318 0.626919 Cl\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Ba",
"Al",
"Cl"
],
"chemical_system": "Al-Ba-Cl",
"density": 2.4188359666470327,
"density_atomic": 0.0337392141188067,
"volume": 652.060238348495,
"volume_molar": 17.84908426969903,
"formula_full": "Ba2 Al4 Cl16",
"formula_reduced": "Ba(AlCl4)2",
"formula_anonymous": "AB2C8",
"energy_above_hull": 0.2575485554545454,
"spacegroup": 13
},
{
"id": "jvasp-54542",
"created_at": "2022-09-04T14:38:32.763632Z",
"updated_at": "2022-09-04T14:38:32.763653Z",
"structure_string": "Ba2 Al4 O8\n1.0\n2.623966 -4.544844 0.000000\n2.623966 4.544844 0.000000\n0.000000 -0.000000 8.958115\nBa Al O\n2 4 8\ndirect\n0.000000 0.000000 0.250000 Ba\n0.000000 0.000000 0.750000 Ba\n0.333334 0.666668 0.553735 Al\n0.666668 0.333334 0.053735 Al\n0.666668 0.333334 0.446264 Al\n0.333334 0.666668 0.946264 Al\n0.352766 0.352766 0.500000 O\n0.000001 0.647234 0.500000 O\n0.000000 0.352766 0.000000 O\n0.333334 0.666668 0.750000 O\n0.647235 0.647235 0.000000 O\n0.647234 0.000001 0.500000 O\n0.666668 0.333334 0.250000 O\n0.352766 0.000000 0.000000 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ba",
"Al",
"O"
],
"chemical_system": "Al-Ba-O",
"density": 3.9681230560522662,
"density_atomic": 0.06552457645756037,
"volume": 213.66028987715265,
"volume_molar": 9.190659574732972,
"formula_full": "Ba2 Al4 O8",
"formula_reduced": "BaAl2O4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.6094007957142855,
"spacegroup": 182
},
{
"id": "jvasp-86041",
"created_at": "2022-09-04T14:35:46.851445Z",
"updated_at": "2022-09-04T14:35:46.851469Z",
"structure_string": "Ba2 Al4 Si4\n1.0\n4.366459 0.000000 0.000000\n-2.183230 5.431844 0.000000\n0.000000 -0.000000 10.294009\nBa Al Si\n2 4 4\ndirect\n0.086615 0.173231 0.750000 Ba\n0.913384 0.826769 0.250000 Ba\n0.379770 0.759539 0.965352 Al\n0.620230 0.240460 0.465352 Al\n0.620230 0.240460 0.034648 Al\n0.379770 0.759539 0.534648 Al\n0.199953 0.399906 0.367984 Si\n0.800047 0.600094 0.867984 Si\n0.199953 0.399906 0.132016 Si\n0.800047 0.600094 0.632016 Si\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ba",
"Al",
"Si"
],
"chemical_system": "Al-Ba-Si",
"density": 3.3660826340932863,
"density_atomic": 0.04095800371652666,
"volume": 244.15252435667352,
"volume_molar": 14.703208685852166,
"formula_full": "Ba2 Al4 Si4",
"formula_reduced": "Ba(AlSi)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.936663754,
"spacegroup": 63
},
{
"id": "jvasp-86640",
"created_at": "2022-09-04T14:35:52.736735Z",
"updated_at": "2022-09-04T14:35:52.736749Z",
"structure_string": "Ba2 Al4 Si4\n1.0\n4.366459 0.000000 0.000000\n-2.183230 5.431844 0.000000\n0.000000 -0.000000 10.294009\nBa Al Si\n2 4 4\ndirect\n0.086615 0.173231 0.750000 Ba\n0.913384 0.826769 0.250000 Ba\n0.379770 0.759539 0.965352 Al\n0.620230 0.240460 0.465352 Al\n0.620230 0.240460 0.034648 Al\n0.379770 0.759539 0.534648 Al\n0.199953 0.399906 0.367984 Si\n0.800047 0.600094 0.867984 Si\n0.199953 0.399906 0.132016 Si\n0.800047 0.600094 0.632016 Si\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ba",
"Al",
"Si"
],
"chemical_system": "Al-Ba-Si",
"density": 3.3660826340932863,
"density_atomic": 0.04095800371652666,
"volume": 244.15252435667352,
"volume_molar": 14.703208685852166,
"formula_full": "Ba2 Al4 Si4",
"formula_reduced": "Ba(AlSi)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.936663754,
"spacegroup": 63
},
{
"id": "jvasp-35116",
"created_at": "2022-09-04T14:37:39.671688Z",
"updated_at": "2022-09-04T14:37:39.671699Z",
"structure_string": "Ba2 Al4 Si6 N8 O8\n1.0\n0.000000 0.000000 -5.774231\n0.000000 -6.805300 2.887115\n-9.594648 0.000000 0.000000\nBa Al Si N O\n2 4 6 8 8\ndirect\n0.984244 0.968490 0.501277 Ba\n0.015755 0.031510 0.001277 Ba\n0.473405 0.946813 0.254890 Al\n0.526594 0.053187 0.754891 Al\n0.287350 0.574701 0.038136 Al\n0.712650 0.425299 0.538136 Al\n0.297786 0.595575 0.486648 Si\n0.702213 0.404425 0.986648 Si\n0.918657 0.347878 0.261597 Si\n0.429220 0.347878 0.261597 Si\n0.081342 0.652122 0.761597 Si\n0.570779 0.652122 0.761597 Si\n0.535162 0.577915 0.589222 N\n0.042753 0.577915 0.589222 N\n0.464837 0.422085 0.089222 N\n0.957246 0.422085 0.089222 N\n0.791804 0.583609 0.851125 N\n0.713200 0.426402 0.345355 N\n0.208195 0.416391 0.351125 N\n0.286799 0.573598 0.845356 N\n0.407337 0.814676 0.101393 O\n0.801112 0.100341 0.260116 O\n0.299229 0.100341 0.260116 O\n0.198887 0.899659 0.760117 O\n0.700770 0.899659 0.760117 O\n0.406989 0.813979 0.411603 O\n0.593010 0.186021 0.911603 O\n0.592662 0.185324 0.601393 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Ba",
"Al",
"Si",
"N",
"O"
],
"chemical_system": "Al-Ba-N-O-Si",
"density": 3.4844403791138303,
"density_atomic": 0.07426557636783046,
"volume": 377.02528371043155,
"volume_molar": 8.108926173511263,
"formula_full": "Ba2 Al4 Si6 N8 O8",
"formula_reduced": "BaAl2Si3(NO)4",
"formula_anonymous": "AB2C3D4E4",
"energy_above_hull": 3.616973883571428,
"spacegroup": 36
},
{
"id": "jvasp-12921",
"created_at": "2022-09-04T14:37:08.396505Z",
"updated_at": "2022-09-04T14:37:08.396538Z",
"structure_string": "Ba2 Al4 Te8\n1.0\n8.585562 0.000000 0.000000\n0.000000 8.585562 -0.000000\n0.000000 0.000000 6.770951\nBa Al Te\n2 4 8\ndirect\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.000000 Ba\n0.500000 0.000000 0.500000 Al\n0.000000 0.500000 0.500000 Al\n0.000000 0.500000 0.000000 Al\n0.500000 0.000000 0.000000 Al\n0.668799 0.831201 0.251378 Te\n0.331201 0.168799 0.251378 Te\n0.831201 0.668799 0.748622 Te\n0.668799 0.168799 0.748622 Te\n0.331201 0.831201 0.748622 Te\n0.168799 0.331201 0.748622 Te\n0.168799 0.668799 0.251378 Te\n0.831201 0.331201 0.251378 Te\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ba",
"Al",
"Te"
],
"chemical_system": "Al-Ba-Te",
"density": 4.669144339844096,
"density_atomic": 0.02805051939119946,
"volume": 499.09949276705174,
"volume_molar": 21.468909990627054,
"formula_full": "Ba2 Al4 Te8",
"formula_reduced": "Ba(AlTe2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.9687860909523808,
"spacegroup": 125
},
{
"id": "jvasp-27525",
"created_at": "2022-09-04T14:37:05.673210Z",
"updated_at": "2022-09-04T14:37:05.673230Z",
"structure_string": "Ba2 Al8 S14\n1.0\n5.915731 0.000000 0.000000\n0.000000 6.246489 0.000000\n0.000000 0.000000 14.850372\nBa Al S\n2 8 14\ndirect\n0.487714 0.335627 0.500000 Ba\n0.987714 0.664373 0.000000 Ba\n0.088188 0.828337 0.380733 Al\n0.071873 0.313718 0.748279 Al\n0.571873 0.686282 0.751721 Al\n0.588188 0.171664 0.119267 Al\n0.588188 0.171664 0.880732 Al\n0.088188 0.828337 0.619267 Al\n0.071873 0.313718 0.251721 Al\n0.571873 0.686282 0.248279 Al\n0.463989 0.330810 0.251532 S\n0.963989 0.669190 0.248468 S\n0.980220 0.172518 0.615625 S\n0.480220 0.827482 0.884375 S\n0.480220 0.827482 0.115625 S\n0.980220 0.172518 0.384375 S\n0.472658 0.361698 0.000000 S\n0.468943 0.809358 0.617466 S\n0.468943 0.809358 0.382534 S\n0.968943 0.190642 0.117466 S\n0.463989 0.330810 0.748468 S\n0.972657 0.638303 0.500000 S\n0.968943 0.190642 0.882534 S\n0.963989 0.669190 0.751532 S\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Ba",
"Al",
"S"
],
"chemical_system": "Al-Ba-S",
"density": 2.842663564973911,
"density_atomic": 0.04373503836495174,
"volume": 548.7590933322023,
"volume_molar": 13.769602097402082,
"formula_full": "Ba2 Al8 S14",
"formula_reduced": "BaAl4S7",
"formula_anonymous": "AB4C7",
"energy_above_hull": 1.886283930833334,
"spacegroup": 31
},
{
"id": "jvasp-41780",
"created_at": "2022-09-04T14:37:32.651677Z",
"updated_at": "2022-09-04T14:37:32.651711Z",
"structure_string": "Ba2 As1 Au1\n1.0\n0.000000 4.000850 4.000850\n4.000850 0.000000 4.000850\n4.000850 4.000850 0.000000\nBa As Au\n2 1 1\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Ba\n0.249999 0.249999 0.249999 As\n0.750000 0.750000 0.750000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"As",
"Au"
],
"chemical_system": "As-Au-Ba",
"density": 7.085752366406653,
"density_atomic": 0.031230086588799173,
"volume": 128.08161734122825,
"volume_molar": 19.283138209933337,
"formula_full": "Ba2 As1 Au1",
"formula_reduced": "Ba2AsAu",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.294387815,
"spacegroup": 225
}
]
}