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=393",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_full&page=391",
"results": [
{
"id": "jvasp-107645",
"created_at": "2022-09-04T14:36:58.007580Z",
"updated_at": "2022-09-04T14:36:58.007602Z",
"structure_string": "Ba3 La1\n1.0\n5.885553 -0.000000 0.000000\n0.000000 5.885553 0.000000\n-0.000000 -0.000000 5.885553\nBa La\n3 1\ndirect\n-0.000000 0.500000 0.500000 Ba\n0.500000 0.000000 0.500000 Ba\n0.500000 0.500000 -0.000000 Ba\n0.000000 0.000000 0.000000 La\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ba",
"La"
],
"chemical_system": "Ba-La",
"density": 4.486930873378014,
"density_atomic": 0.01961996221051499,
"volume": 203.873991044502,
"volume_molar": 30.693946784324257,
"formula_full": "Ba3 La1",
"formula_reduced": "Ba3La",
"formula_anonymous": "AB3",
"energy_above_hull": 0.3146382275,
"spacegroup": 221
},
{
"id": "jvasp-112704",
"created_at": "2022-09-04T14:38:41.790951Z",
"updated_at": "2022-09-04T14:38:41.790981Z",
"structure_string": "Ba3 La1 Nb3 O12\n1.0\n5.545522 -0.005283 8.162369\n2.506570 4.946710 8.162369\n-0.008609 -0.005283 9.867979\nBa La Nb O\n3 1 3 12\ndirect\n0.710453 0.710455 0.710454 Ba\n0.288681 0.288681 0.288681 Ba\n0.131730 0.131731 0.131730 Ba\n0.855875 0.855877 0.855876 La\n0.575057 0.575058 0.575058 Nb\n0.424467 0.424468 0.424468 Nb\n0.999194 0.999196 0.999195 Nb\n0.626310 0.123136 0.626311 O\n0.877062 0.377207 0.377206 O\n0.377206 0.377207 0.877062 O\n0.377206 0.877063 0.377206 O\n0.289069 0.794760 0.794759 O\n0.711106 0.208807 0.208807 O\n0.794758 0.289071 0.794759 O\n0.626310 0.626311 0.123135 O\n0.208806 0.208807 0.711106 O\n0.208807 0.711106 0.208807 O\n0.794759 0.794760 0.289070 O\n0.123134 0.626311 0.626311 O\n",
"nsites": 19,
"nelements": 4,
"elements": [
"Ba",
"La",
"Nb",
"O"
],
"chemical_system": "Ba-La-Nb-O",
"density": 6.252664791661667,
"density_atomic": 0.07003085711110384,
"volume": 271.3089741263131,
"volume_molar": 8.599267534946609,
"formula_full": "Ba3 La1 Nb3 O12",
"formula_reduced": "Ba3LaNb3O12",
"formula_anonymous": "AB3C3D12",
"energy_above_hull": 2.9248117426315785,
"spacegroup": 160
},
{
"id": "jvasp-117229",
"created_at": "2022-09-04T14:38:49.532002Z",
"updated_at": "2022-09-04T14:38:49.532032Z",
"structure_string": "Ba3 La1 Ta3 O12\n1.0\n5.529967 -0.000578 8.153952\n2.503765 4.930689 8.153952\n-0.000942 -0.000578 9.852282\nBa La Ta O\n3 1 3 12\ndirect\n0.710965 0.710963 0.710962 Ba\n0.287878 0.287877 0.287877 Ba\n0.133079 0.133079 0.133079 Ba\n0.855487 0.855485 0.855484 La\n0.576451 0.576450 0.576449 Ta\n0.423605 0.423604 0.423603 Ta\n0.999618 0.999616 0.999615 Ta\n0.624534 0.124382 0.624532 O\n0.875005 0.378859 0.378859 O\n0.378860 0.378859 0.875003 O\n0.378860 0.875004 0.378858 O\n0.289118 0.795120 0.795119 O\n0.711015 0.208191 0.208191 O\n0.795121 0.289116 0.795119 O\n0.624534 0.624532 0.124382 O\n0.208192 0.208191 0.711014 O\n0.208192 0.711015 0.208191 O\n0.795122 0.795120 0.289115 O\n0.124384 0.624532 0.624532 O\n",
"nsites": 19,
"nelements": 4,
"elements": [
"Ba",
"La",
"Ta",
"O"
],
"chemical_system": "Ba-La-O-Ta",
"density": 7.945517105960783,
"density_atomic": 0.07070974774438499,
"volume": 268.704112319631,
"volume_molar": 8.516705195682462,
"formula_full": "Ba3 La1 Ta3 O12",
"formula_reduced": "Ba3LaTa3O12",
"formula_anonymous": "AB3C3D12",
"energy_above_hull": 3.1589969742105257,
"spacegroup": 160
},
{
"id": "jvasp-112378",
"created_at": "2022-09-04T14:38:40.518849Z",
"updated_at": "2022-09-04T14:38:40.518883Z",
"structure_string": "Ba3 La2 Ti2 Nb2 O15\n1.0\n5.709226 0.000000 0.000000\n-2.854613 4.944335 0.000000\n-0.000000 -0.000000 11.635147\nBa La Ti Nb O\n3 2 2 2 15\ndirect\n0.666667 0.333333 0.578321 Ba\n0.333334 0.666666 0.421679 Ba\n0.000000 0.000000 0.000000 Ba\n0.666667 0.333333 0.213703 La\n0.333334 0.666666 0.786297 La\n0.666667 0.333333 0.902827 Ti\n0.333334 0.666666 0.097173 Ti\n0.000000 0.000000 0.308252 Nb\n0.000000 0.000000 0.691749 Nb\n0.500000 -0.000000 -0.000000 O\n0.169391 0.830609 0.192880 O\n0.169390 0.338780 0.192880 O\n0.661220 0.830609 0.192880 O\n0.830610 0.169390 0.807121 O\n0.830610 0.661219 0.807121 O\n0.827583 0.172418 0.381550 O\n0.172418 0.827581 0.618450 O\n0.172418 0.344836 0.618450 O\n0.655165 0.827581 0.618450 O\n0.500000 0.500000 -0.000000 O\n0.827583 0.655164 0.381550 O\n0.344836 0.172418 0.381550 O\n0.338781 0.169390 0.807121 O\n0.000000 0.500000 -0.000000 O\n",
"nsites": 24,
"nelements": 5,
"elements": [
"Ba",
"La",
"Ti",
"Nb",
"O"
],
"chemical_system": "Ba-La-Nb-O-Ti",
"density": 6.124271918146498,
"density_atomic": 0.07307254675189837,
"volume": 328.44072181426327,
"volume_molar": 8.241317742006235,
"formula_full": "Ba3 La2 Ti2 Nb2 O15",
"formula_reduced": "Ba3La2Ti2Nb2O15",
"formula_anonymous": "A2B2C2D3E15",
"energy_above_hull": 2.936079411527777,
"spacegroup": 164
},
{
"id": "jvasp-99751",
"created_at": "2022-09-04T14:36:08.513428Z",
"updated_at": "2022-09-04T14:36:08.513455Z",
"structure_string": "Ba3 Li1\n1.0\n5.259262 0.022620 -5.390570\n-0.855278 5.189302 -5.390570\n-0.019113 -0.022620 7.531116\nBa Li\n3 1\ndirect\n0.750000 0.250000 0.500000 Ba\n0.250000 0.750000 0.500000 Ba\n0.500000 0.500000 -0.000000 Ba\n0.000000 0.000000 0.000000 Li\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ba",
"Li"
],
"chemical_system": "Ba-Li",
"density": 3.4032047418374125,
"density_atomic": 0.019568872484640912,
"volume": 204.40625810912172,
"volume_molar": 30.774081463950562,
"formula_full": "Ba3 Li1",
"formula_reduced": "Ba3Li",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0203844775,
"spacegroup": 139
},
{
"id": "jvasp-98735",
"created_at": "2022-09-04T14:35:57.570350Z",
"updated_at": "2022-09-04T14:35:57.570367Z",
"structure_string": "Ba3 Li4 Sn8\n1.0\n6.379012 0.000000 -2.298975\n-0.341280 6.775691 -0.946956\n-0.035183 -0.025426 9.901850\nBa Li Sn\n3 4 8\ndirect\n0.676951 0.315924 0.353902 Ba\n0.000000 0.000000 0.000000 Ba\n0.323049 0.684075 0.646097 Ba\n0.213026 0.134388 0.426052 Li\n0.786974 0.865612 0.573947 Li\n0.215812 0.500000 -0.000000 Li\n0.784188 0.500000 -0.000001 Li\n0.585911 0.192712 0.696035 Sn\n0.414089 0.807288 0.303964 Sn\n0.110125 0.192712 0.696036 Sn\n0.871599 0.549801 0.743198 Sn\n0.128401 0.450198 0.256801 Sn\n0.516442 0.796747 0.032884 Sn\n0.483558 0.203252 0.967115 Sn\n0.889875 0.807288 0.303963 Sn\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Ba",
"Li",
"Sn"
],
"chemical_system": "Ba-Li-Sn",
"density": 5.3999993287079775,
"density_atomic": 0.03510756903678466,
"volume": 427.258292486257,
"volume_molar": 17.1533971881966,
"formula_full": "Ba3 Li4 Sn8",
"formula_reduced": "Ba3(LiSn2)4",
"formula_anonymous": "A3B4C8",
"energy_above_hull": 0.405609434,
"spacegroup": 12
},
{
"id": "jvasp-9796",
"created_at": "2022-09-04T14:37:16.660188Z",
"updated_at": "2022-09-04T14:37:16.660200Z",
"structure_string": "Ba3 Mg1 Nb2 O9\n1.0\n2.921376 -5.059971 0.000000\n2.921376 5.059971 -0.000000\n0.000000 -0.000000 7.170139\nBa Mg Nb O\n3 1 2 9\ndirect\n0.000000 0.000000 0.000000 Ba\n0.666668 0.333334 0.333070 Ba\n0.333334 0.666668 0.666930 Ba\n0.000000 0.000000 0.500000 Mg\n0.666668 0.333334 0.820702 Nb\n0.333334 0.666668 0.179298 Nb\n0.658885 0.829443 0.327134 O\n0.170559 0.341117 0.327134 O\n0.170559 0.829442 0.327134 O\n0.829442 0.170559 0.672866 O\n0.829443 0.658885 0.672866 O\n0.341117 0.170559 0.672866 O\n0.500000 0.000000 0.000000 O\n0.500001 0.500001 0.000000 O\n0.000000 0.500000 0.000000 O\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Ba",
"Mg",
"Nb",
"O"
],
"chemical_system": "Ba-Mg-Nb-O",
"density": 6.001195019076952,
"density_atomic": 0.07076169113170787,
"volume": 211.97910564461617,
"volume_molar": 8.51045341580526,
"formula_full": "Ba3 Mg1 Nb2 O9",
"formula_reduced": "Ba3MgNb2O9",
"formula_anonymous": "AB2C3D9",
"energy_above_hull": 2.367063817333333,
"spacegroup": 164
},
{
"id": "jvasp-117037",
"created_at": "2022-09-04T14:38:49.350578Z",
"updated_at": "2022-09-04T14:38:49.350605Z",
"structure_string": "Ba3 Mg1 Ta1 Nb1 O9\n1.0\n5.826537 0.000000 0.000000\n-2.913269 5.045928 0.000000\n-0.000000 -0.000000 7.154280\nBa Mg Ta Nb O\n3 1 1 1 9\ndirect\n0.333333 0.666667 0.000606 Ba\n0.666667 0.333333 0.664473 Ba\n0.000000 0.000000 0.333792 Ba\n0.333333 0.666667 0.497143 Mg\n0.666667 0.333333 0.177428 Ta\n0.000000 0.000000 0.821081 Nb\n0.990552 0.495275 0.326455 O\n0.504725 0.495275 0.326455 O\n0.504725 0.009448 0.326455 O\n0.674349 0.837174 0.673839 O\n0.162826 0.837174 0.673839 O\n0.162826 0.325651 0.673839 O\n0.832156 0.167845 0.001531 O\n0.832156 0.664310 0.001531 O\n0.335690 0.167845 0.001531 O\n",
"nsites": 15,
"nelements": 5,
"elements": [
"Ba",
"Mg",
"Ta",
"Nb",
"O"
],
"chemical_system": "Ba-Mg-Nb-O-Ta",
"density": 6.743075981340067,
"density_atomic": 0.07131383104250924,
"volume": 210.33787949295132,
"volume_molar": 8.444562116443135,
"formula_full": "Ba3 Mg1 Ta1 Nb1 O9",
"formula_reduced": "Ba3MgTaNbO9",
"formula_anonymous": "ABCD3E9",
"energy_above_hull": 2.462127137333333,
"spacegroup": 156
},
{
"id": "jvasp-9782",
"created_at": "2022-09-04T14:37:07.375627Z",
"updated_at": "2022-09-04T14:37:07.375647Z",
"structure_string": "Ba3 Mg1 Ta2 O9\n1.0\n2.910539 -5.041201 0.000000\n2.910539 5.041201 -0.000000\n-0.000000 0.000000 7.150928\nBa Mg Ta O\n3 1 2 9\ndirect\n0.333333 0.666667 0.663819 Ba\n0.000000 0.000000 0.000000 Ba\n0.666667 0.333333 0.336181 Ba\n0.000000 0.000000 0.500000 Mg\n0.333333 0.666667 0.176988 Ta\n0.666667 0.333333 0.823012 Ta\n0.828492 0.171508 0.674674 O\n0.828493 0.656985 0.674674 O\n0.343015 0.171508 0.674674 O\n0.656985 0.828493 0.325326 O\n0.171508 0.343015 0.325326 O\n0.171508 0.828492 0.325326 O\n0.500000 0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Ba",
"Mg",
"Ta",
"O"
],
"chemical_system": "Ba-Mg-O-Ta",
"density": 7.455580485957809,
"density_atomic": 0.07148113196577621,
"volume": 209.84558564603748,
"volume_molar": 8.42479769750049,
"formula_full": "Ba3 Mg1 Ta2 O9",
"formula_reduced": "Ba3MgTa2O9",
"formula_anonymous": "AB2C3D9",
"energy_above_hull": 2.559371124,
"spacegroup": 164
},
{
"id": "jvasp-50345",
"created_at": "2022-09-04T14:35:58.542361Z",
"updated_at": "2022-09-04T14:35:58.542385Z",
"structure_string": "Ba3 Mg3 O6\n1.0\n5.945290 -0.000009 0.000060\n-2.972653 5.148794 -0.000007\n-0.000077 0.000112 6.799903\nBa Mg O\n3 3 6\ndirect\n0.000001 0.654800 0.166667 Ba\n0.345208 0.345210 0.500002 Ba\n0.654799 0.000001 0.833346 Ba\n0.000006 0.575469 0.666670 Mg\n0.424531 0.424530 0.000004 Mg\n0.575468 0.000006 0.333342 Mg\n0.297080 0.868147 0.539500 O\n0.131844 0.428912 0.872828 O\n0.571072 0.702927 0.206157 O\n0.428914 0.131848 0.127186 O\n0.702923 0.571067 0.793849 O\n0.868153 0.297079 0.460510 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ba",
"Mg",
"O"
],
"chemical_system": "Ba-Mg-O",
"density": 4.634083917710109,
"density_atomic": 0.057650137593289165,
"volume": 208.15214847634422,
"volume_molar": 10.446012813508037,
"formula_full": "Ba3 Mg3 O6",
"formula_reduced": "BaMgO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.224973005,
"spacegroup": 152
},
{
"id": "jvasp-51533",
"created_at": "2022-09-04T14:37:35.384346Z",
"updated_at": "2022-09-04T14:37:35.384378Z",
"structure_string": "Ba3 Mn1 Nb2 O9\n1.0\n2.937845 -5.088497 0.000000\n2.937845 5.088497 0.000000\n0.000000 -0.000000 7.220351\nBa Mn Nb O\n3 1 2 9\ndirect\n0.333332 0.666666 0.334203 Ba\n0.666666 0.333332 0.665797 Ba\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Mn\n0.333332 0.666666 0.824113 Nb\n0.666666 0.333332 0.175887 Nb\n0.828148 0.656298 0.323748 O\n0.828149 0.171850 0.323748 O\n0.343700 0.171850 0.323748 O\n0.171850 0.828149 0.676252 O\n0.171850 0.343700 0.676252 O\n0.656298 0.828148 0.676252 O\n-0.000001 0.500000 0.000000 O\n0.500000 -0.000001 0.000000 O\n0.499999 0.499999 0.000000 O\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Ba",
"Mn",
"Nb",
"O"
],
"chemical_system": "Ba-Mn-Nb-O",
"density": 6.128463455015975,
"density_atomic": 0.06948395838853154,
"volume": 215.8771657211138,
"volume_molar": 8.66695119228263,
"formula_full": "Ba3 Mn1 Nb2 O9",
"formula_reduced": "Ba3MnNb2O9",
"formula_anonymous": "AB2C3D9",
"energy_above_hull": 2.8029956967586207,
"spacegroup": 164
},
{
"id": "jvasp-11803",
"created_at": "2022-09-04T14:37:00.635571Z",
"updated_at": "2022-09-04T14:37:00.635596Z",
"structure_string": "Ba3 Mn2 O8\n1.0\n5.362059 0.004197 5.853876\n2.278615 4.853824 5.853876\n0.006602 0.004197 7.938482\nBa Mn O\n3 2 8\ndirect\n0.793087 0.793088 0.793089 Ba\n0.206912 0.206912 0.206913 Ba\n0.000000 0.000000 0.000000 Ba\n0.592602 0.592603 0.592604 Mn\n0.407397 0.407397 0.407398 Mn\n0.670784 0.670785 0.670786 O\n0.329214 0.329215 0.329215 O\n0.273258 0.757909 0.273259 O\n0.757909 0.273259 0.273259 O\n0.273258 0.273259 0.757909 O\n0.726741 0.726742 0.242092 O\n0.242090 0.726742 0.726743 O\n0.726741 0.242092 0.726742 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Ba",
"Mn",
"O"
],
"chemical_system": "Ba-Mn-O",
"density": 5.231473675801715,
"density_atomic": 0.06302366362275932,
"volume": 206.2717279943306,
"volume_molar": 9.555364467617625,
"formula_full": "Ba3 Mn2 O8",
"formula_reduced": "Ba3Mn2O8",
"formula_anonymous": "A2B3C8",
"energy_above_hull": 2.3599592609814324,
"spacegroup": 166
}
]
}