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=235",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=233",
"results": [
{
"id": "jvasp-116715",
"created_at": "2022-09-04T14:38:44.133760Z",
"updated_at": "2022-09-04T14:38:44.133777Z",
"structure_string": "Ba6 Zn2 Ru2 Ir2 O18\n1.0\n5.816679 0.000000 0.000000\n-2.908340 5.037391 0.000000\n-0.000000 -0.000000 14.261742\nBa Zn Ru Ir O\n6 2 2 2 18\ndirect\n0.000000 0.000000 0.249119 Ba\n0.000000 0.000000 0.750881 Ba\n0.333333 0.666666 0.587180 Ba\n0.666667 0.333333 0.412820 Ba\n0.666667 0.333333 0.085759 Ba\n0.333333 0.666666 0.914241 Ba\n0.000000 0.000000 0.500000 Zn\n0.000000 0.000000 0.000000 Zn\n0.666667 0.333333 0.657729 Ru\n0.333333 0.666666 0.342271 Ru\n0.333333 0.666666 0.161059 Ir\n0.666667 0.333333 0.838941 Ir\n0.172768 0.827232 0.415932 O\n0.345536 0.172768 0.584068 O\n0.827232 0.654464 0.584068 O\n0.827232 0.172768 0.584068 O\n0.342777 0.171388 0.915939 O\n0.828612 0.657222 0.915939 O\n0.828612 0.171388 0.915939 O\n0.657223 0.828612 0.084061 O\n0.019764 0.509882 0.251677 O\n0.171388 0.828612 0.084061 O\n0.980236 0.490118 0.748323 O\n0.509882 0.019764 0.748323 O\n0.509882 0.490118 0.748323 O\n0.172768 0.345536 0.415932 O\n0.490118 0.980236 0.251677 O\n0.490118 0.509882 0.251677 O\n0.171388 0.342777 0.084061 O\n0.654464 0.827232 0.415932 O\n",
"nsites": 30,
"nelements": 5,
"elements": [
"Ba",
"Zn",
"Ru",
"Ir",
"O"
],
"chemical_system": "Ba-Ir-O-Ru-Zn",
"density": 7.269272558575496,
"density_atomic": 0.0717906556610185,
"volume": 417.88168284259945,
"volume_molar": 8.38847438367937,
"formula_full": "Ba6 Zn2 Ru2 Ir2 O18",
"formula_reduced": "Ba3ZnIrRuO9",
"formula_anonymous": "ABCD3E9",
"energy_above_hull": 2.226654094,
"spacegroup": 164
},
{
"id": "jvasp-50313",
"created_at": "2022-09-04T14:37:12.288720Z",
"updated_at": "2022-09-04T14:37:12.288748Z",
"structure_string": "Ba3 Zr2 O7\n1.0\n-0.000000 4.224124 0.000000\n2.112062 -2.112062 11.007232\n4.224124 0.000000 0.000000\nBa Zr O\n3 2 7\ndirect\n0.000000 0.000000 0.000000 Ba\n0.814109 0.628220 0.185890 Ba\n0.185891 0.371780 0.814109 Ba\n0.597072 0.194147 0.402927 Zr\n0.402927 0.805853 0.597072 Zr\n0.095933 0.191866 0.404066 O\n0.500000 0.000000 0.500000 O\n0.692889 0.385778 0.307110 O\n0.404067 0.808134 0.095933 O\n0.595933 0.191866 0.904066 O\n0.307110 0.614222 0.692889 O\n0.904066 0.808134 0.595933 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ba",
"Zr",
"O"
],
"chemical_system": "Ba-O-Zr",
"density": 5.972602305194268,
"density_atomic": 0.06109839597558311,
"volume": 196.40450143397524,
"volume_molar": 9.856462946108506,
"formula_full": "Ba3 Zr2 O7",
"formula_reduced": "Ba3Zr2O7",
"formula_anonymous": "A2B3C7",
"energy_above_hull": 2.231060950833333,
"spacegroup": 139
},
{
"id": "jvasp-95276",
"created_at": "2022-09-04T14:36:21.481165Z",
"updated_at": "2022-09-04T14:36:21.481180Z",
"structure_string": "Ba3 Zr2 S7\n1.0\n4.921620 0.000000 -0.946609\n-0.182068 4.918251 -0.946609\n0.018140 0.018824 13.361886\nBa Zr S\n3 2 7\ndirect\n0.818874 0.818874 0.637750 Ba\n0.181125 0.181125 0.362250 Ba\n0.000000 0.000000 0.000000 Ba\n0.600088 0.600088 0.200175 Zr\n0.399913 0.399912 0.799825 Zr\n0.500000 0.500000 -0.000000 S\n0.698305 0.698305 0.396611 S\n0.301694 0.301694 0.603389 S\n0.595880 0.095880 0.191759 S\n0.095880 0.595880 0.191759 S\n0.904120 0.404119 0.808241 S\n0.404119 0.904119 0.808241 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ba",
"Zr",
"S"
],
"chemical_system": "Ba-S-Zr",
"density": 4.201936670180396,
"density_atomic": 0.03708166836989384,
"volume": 323.61003502589585,
"volume_molar": 16.24020985228729,
"formula_full": "Ba3 Zr2 S7",
"formula_reduced": "Ba3Zr2S7",
"formula_anonymous": "A2B3C7",
"energy_above_hull": 1.9798797425,
"spacegroup": 139
},
{
"id": "jvasp-113041",
"created_at": "2022-09-04T14:38:43.670326Z",
"updated_at": "2022-09-04T14:38:43.670337Z",
"structure_string": "Ba6 Zr2 Ir4 O18\n1.0\n5.849788 0.000000 0.000000\n-2.924894 5.066064 0.000000\n-0.000000 -0.000000 14.547022\nBa Zr Ir O\n6 2 4 18\ndirect\n0.333334 0.666666 0.093544 Ba\n0.666667 0.333333 0.906456 Ba\n0.666667 0.333333 0.593544 Ba\n0.333334 0.666666 0.406456 Ba\n0.000000 0.000000 0.250000 Ba\n0.000000 0.000000 0.750000 Ba\n0.000000 0.000000 0.000000 Zr\n0.000000 0.000000 0.500000 Zr\n0.333334 0.666666 0.839280 Ir\n0.666667 0.333333 0.160720 Ir\n0.666667 0.333333 0.339280 Ir\n0.333334 0.666666 0.660720 Ir\n0.017058 0.508528 0.750000 O\n0.982943 0.491471 0.250000 O\n0.491472 0.982941 0.750000 O\n0.508529 0.017058 0.250000 O\n0.169135 0.830864 0.918165 O\n0.830865 0.169135 0.081834 O\n0.661731 0.830864 0.918165 O\n0.830865 0.169135 0.418166 O\n0.661731 0.830864 0.581834 O\n0.169135 0.830864 0.581834 O\n0.169135 0.338270 0.918165 O\n0.338270 0.169135 0.418166 O\n0.830866 0.661729 0.081834 O\n0.508529 0.491471 0.250000 O\n0.830866 0.661729 0.418166 O\n0.169135 0.338270 0.581834 O\n0.338270 0.169135 0.081834 O\n0.491472 0.508528 0.750000 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Ba",
"Zr",
"Ir",
"O"
],
"chemical_system": "Ba-Ir-O-Zr",
"density": 7.947301270672153,
"density_atomic": 0.06958832127606236,
"volume": 431.106821516611,
"volume_molar": 8.653953205897427,
"formula_full": "Ba6 Zr2 Ir4 O18",
"formula_reduced": "Ba3ZrIr2O9",
"formula_anonymous": "AB2C3D9",
"energy_above_hull": 2.696693074,
"spacegroup": 194
},
{
"id": "jvasp-95478",
"created_at": "2022-09-04T14:36:16.543646Z",
"updated_at": "2022-09-04T14:36:16.543659Z",
"structure_string": "Ba6 Zr2 Ru4 O18\n1.0\n5.838544 0.000000 -0.000000\n-2.919271 5.056327 -0.000000\n0.000000 0.000000 14.381409\nBa Zr Ru O\n6 2 4 18\ndirect\n0.333333 0.666667 0.907054 Ba\n0.666667 0.333333 0.092947 Ba\n0.666667 0.333333 0.407053 Ba\n0.333333 0.666667 0.592947 Ba\n0.000000 0.000000 0.250000 Ba\n0.000000 0.000000 0.750000 Ba\n0.000000 0.000000 0.500000 Zr\n0.000000 0.000000 0.000000 Zr\n0.666667 0.333333 0.662945 Ru\n0.333333 0.666667 0.162945 Ru\n0.666667 0.333333 0.837055 Ru\n0.333333 0.666667 0.337055 Ru\n0.829667 0.170333 0.583233 O\n0.829667 0.659336 0.583233 O\n0.489952 0.979904 0.250000 O\n0.510048 0.489952 0.750000 O\n0.659335 0.829668 0.083233 O\n0.979903 0.489952 0.750000 O\n0.020096 0.510049 0.250000 O\n0.170333 0.340665 0.416767 O\n0.489951 0.510049 0.250000 O\n0.170333 0.340665 0.083233 O\n0.510048 0.020096 0.750000 O\n0.829667 0.659336 0.916767 O\n0.340665 0.170333 0.916767 O\n0.829667 0.170333 0.916767 O\n0.340665 0.170333 0.583233 O\n0.659335 0.829668 0.416767 O\n0.170333 0.829668 0.083233 O\n0.170333 0.829668 0.416767 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Ba",
"Zr",
"Ru",
"O"
],
"chemical_system": "Ba-O-Ru-Zr",
"density": 6.643842351927816,
"density_atomic": 0.07066105332493401,
"volume": 424.5620265812534,
"volume_molar": 8.522574284743898,
"formula_full": "Ba6 Zr2 Ru4 O18",
"formula_reduced": "Ba3ZrRu2O9",
"formula_anonymous": "AB2C3D9",
"energy_above_hull": 2.668226327333333,
"spacegroup": 194
},
{
"id": "jvasp-62393",
"created_at": "2022-09-04T14:36:22.075209Z",
"updated_at": "2022-09-04T14:36:22.075231Z",
"structure_string": "Ba8 Ag2 Au2 O12\n1.0\n2.922714 -6.689549 0.000000\n2.922714 6.689549 0.000000\n0.000000 0.000000 11.503674\nBa Ag Au O\n8 2 2 12\ndirect\n0.213004 0.921792 0.250000 Ba\n0.786995 0.078206 0.750000 Ba\n0.921792 0.213004 0.250000 Ba\n0.078206 0.786995 0.750000 Ba\n0.646251 0.353748 0.500000 Ba\n0.353748 0.646251 0.000000 Ba\n0.353748 0.646251 0.500000 Ba\n0.646251 0.353748 0.000000 Ba\n0.598202 0.598202 0.250000 Ag\n0.401797 0.401797 0.750000 Ag\n0.000000 0.000000 0.000000 Au\n0.000000 0.000000 0.500000 Au\n0.562660 0.244878 0.750000 O\n0.154174 0.845825 0.000000 O\n0.845825 0.154174 0.500000 O\n0.845825 0.154174 0.000000 O\n0.154174 0.845825 0.500000 O\n0.269846 0.269846 0.390125 O\n0.730152 0.730152 0.890125 O\n0.269846 0.269846 0.109875 O\n0.730152 0.730152 0.609875 O\n0.244878 0.562660 0.750000 O\n0.755121 0.437339 0.250000 O\n0.437339 0.755121 0.250000 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Ba",
"Ag",
"Au",
"O"
],
"chemical_system": "Ag-Au-Ba-O",
"density": 7.014821017901233,
"density_atomic": 0.05335332882032537,
"volume": 449.83135130749355,
"volume_molar": 11.287282149311402,
"formula_full": "Ba8 Ag2 Au2 O12",
"formula_reduced": "Ba4AgAuO6",
"formula_anonymous": "ABC4D6",
"energy_above_hull": 1.213477475833333,
"spacegroup": 63
},
{
"id": "jvasp-20790",
"created_at": "2022-09-04T14:38:35.586398Z",
"updated_at": "2022-09-04T14:38:35.586408Z",
"structure_string": "Ba8 Al10\n1.0\n3.056952 -5.294798 -0.000000\n3.056952 5.294798 0.000000\n-0.000000 -0.000000 17.858155\nBa Al\n8 10\ndirect\n0.000000 0.000000 0.641987 Ba\n0.000000 0.000000 0.141987 Ba\n0.000000 0.000000 0.358013 Ba\n0.000000 0.000000 0.858012 Ba\n0.333333 0.666667 0.070051 Ba\n0.666667 0.333333 0.570051 Ba\n0.666667 0.333333 0.929949 Ba\n0.333333 0.666667 0.429949 Ba\n0.666667 0.333333 0.136056 Al\n0.333333 0.666667 0.636056 Al\n0.509945 0.490054 0.750000 Al\n0.490054 0.980109 0.250000 Al\n0.490054 0.509945 0.250000 Al\n0.980109 0.490054 0.750000 Al\n0.509946 0.019890 0.750000 Al\n0.333333 0.666667 0.863944 Al\n0.019890 0.509946 0.250000 Al\n0.666667 0.333333 0.363944 Al\n",
"nsites": 18,
"nelements": 2,
"elements": [
"Ba",
"Al"
],
"chemical_system": "Al-Ba",
"density": 3.930678511588198,
"density_atomic": 0.031136364711448504,
"volume": 578.1021698201523,
"volume_molar": 19.341181335102117,
"formula_full": "Ba8 Al10",
"formula_reduced": "Ba4Al5",
"formula_anonymous": "A4B5",
"energy_above_hull": 0.946633097777778,
"spacegroup": 194
},
{
"id": "jvasp-2784",
"created_at": "2022-09-04T14:36:45.297418Z",
"updated_at": "2022-09-04T14:36:45.297434Z",
"structure_string": "Ba4 As2 O1\n1.0\n5.002511 0.000000 -1.418104\n-0.402002 4.986332 -1.418104\n-0.037771 -0.040938 9.399254\nBa As O\n4 2 1\ndirect\n0.675277 0.675276 0.350553 Ba\n0.324723 0.324723 0.649447 Ba\n0.000000 0.500000 0.000000 Ba\n0.500000 0.000000 0.000000 Ba\n0.864256 0.864255 0.728510 As\n0.135745 0.135744 0.271490 As\n0.500000 0.500000 0.000000 O\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Ba",
"As",
"O"
],
"chemical_system": "As-Ba-O",
"density": 5.077632027697191,
"density_atomic": 0.029930409575536554,
"volume": 233.8758506572997,
"volume_molar": 20.12047561461425,
"formula_full": "Ba4 As2 O1",
"formula_reduced": "Ba4As2O",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.7563444114285715,
"spacegroup": 139
},
{
"id": "jvasp-34302",
"created_at": "2022-09-04T14:37:03.763106Z",
"updated_at": "2022-09-04T14:37:03.763126Z",
"structure_string": "Ba8 B4 N8 O2\n1.0\n6.655295 0.000000 -3.080287\n-0.000000 7.364749 -0.000000\n0.003372 0.000000 8.737174\nBa B N O\n8 4 8 2\ndirect\n0.325135 0.500000 0.650271 Ba\n0.692069 0.807955 -0.000000 Ba\n0.307931 0.192046 -0.000000 Ba\n0.192069 0.692046 -0.000000 Ba\n0.825134 0.000000 0.650270 Ba\n0.674864 0.500000 0.349728 Ba\n0.807930 0.307955 -0.000000 Ba\n0.174865 0.000000 0.349728 Ba\n0.861887 0.500000 0.723775 B\n0.138113 0.500000 0.276224 B\n0.361887 0.000000 0.723775 B\n0.638112 0.000000 0.276224 B\n0.994946 0.371162 0.730706 N\n0.764238 0.128838 0.269292 N\n0.494946 0.128838 0.730706 N\n0.505053 0.871163 0.269292 N\n0.005053 0.628838 0.269293 N\n0.264238 0.371162 0.269293 N\n0.735761 0.628838 0.730706 N\n0.235760 0.871163 0.730707 N\n0.500000 0.500000 -0.000000 O\n0.000000 0.000000 0.000000 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Ba",
"B",
"N",
"O"
],
"chemical_system": "B-Ba-N-O",
"density": 4.985246848550469,
"density_atomic": 0.05136282079753095,
"volume": 428.3253851404041,
"volume_molar": 11.724708001803299,
"formula_full": "Ba8 B4 N8 O2",
"formula_reduced": "Ba4B2N4O",
"formula_anonymous": "AB2C4D4",
"energy_above_hull": 3.2766914133333334,
"spacegroup": 64
},
{
"id": "jvasp-64162",
"created_at": "2022-09-04T14:36:12.222326Z",
"updated_at": "2022-09-04T14:36:12.222359Z",
"structure_string": "Ba4 Be1 Bi1\n1.0\n-0.000000 5.006229 5.006229\n5.006229 0.000000 5.006229\n5.006229 5.006229 -0.000000\nBa Be Bi\n4 1 1\ndirect\n0.122115 0.625962 0.625962 Ba\n0.625962 0.625962 0.625962 Ba\n0.625962 0.122115 0.625962 Ba\n0.625962 0.625962 0.122115 Ba\n0.250000 0.250000 0.250000 Be\n0.000000 0.000000 0.000000 Bi\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Be",
"Bi"
],
"chemical_system": "Ba-Be-Bi",
"density": 5.077529957415216,
"density_atomic": 0.023910525427364944,
"volume": 250.93551449660592,
"volume_molar": 25.186149833026356,
"formula_full": "Ba4 Be1 Bi1",
"formula_reduced": "Ba4BeBi",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.4063823799999999,
"spacegroup": 216
},
{
"id": "jvasp-64709",
"created_at": "2022-09-04T14:36:16.891130Z",
"updated_at": "2022-09-04T14:36:16.891149Z",
"structure_string": "Ba4 Be1 Br1\n1.0\n-0.000000 5.074924 5.074924\n5.074924 0.000000 5.074924\n5.074924 5.074924 0.000000\nBa Be Br\n4 1 1\ndirect\n0.125054 0.624981 0.624981 Ba\n0.624981 0.624981 0.624981 Ba\n0.624981 0.125054 0.624981 Ba\n0.624981 0.624981 0.125054 Ba\n0.250000 0.250000 0.250000 Be\n0.000000 0.000000 0.000000 Br\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Be",
"Br"
],
"chemical_system": "Ba-Be-Br",
"density": 4.054186551975953,
"density_atomic": 0.02295263900708999,
"volume": 261.40784936087834,
"volume_molar": 26.237247743668092,
"formula_full": "Ba4 Be1 Br1",
"formula_reduced": "Ba4BeBr",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.2131773474999999,
"spacegroup": 216
},
{
"id": "jvasp-64779",
"created_at": "2022-09-04T14:36:20.450322Z",
"updated_at": "2022-09-04T14:36:20.450347Z",
"structure_string": "Ba4 Be1 Cd1\n1.0\n0.000000 5.038373 5.038373\n5.038373 0.000000 5.038373\n5.038373 5.038373 0.000000\nBa Be Cd\n4 1 1\ndirect\n0.125600 0.624799 0.624799 Ba\n0.624799 0.624799 0.624799 Ba\n0.624799 0.125600 0.624799 Ba\n0.624799 0.624799 0.125600 Ba\n0.250000 0.250000 0.250000 Be\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Be",
"Cd"
],
"chemical_system": "Ba-Be-Cd",
"density": 4.354082471754358,
"density_atomic": 0.023455803074276797,
"volume": 255.8002376213672,
"volume_molar": 25.674417289955347,
"formula_full": "Ba4 Be1 Cd1",
"formula_reduced": "Ba4BeCd",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 216
}
]
}