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=225",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=223",
"results": [
{
"id": "jvasp-88943",
"created_at": "2022-09-04T14:36:10.697191Z",
"updated_at": "2022-09-04T14:36:10.697212Z",
"structure_string": "Ba6 Li2 N2\n1.0\n8.171442 0.000000 0.000000\n-4.085721 7.076676 0.000000\n-0.000000 -0.000000 6.876394\nBa Li N\n6 2 2\ndirect\n0.149637 0.299275 0.750000 Ba\n0.149638 0.850363 0.750000 Ba\n0.850363 0.700726 0.250000 Ba\n0.700725 0.850363 0.750000 Ba\n0.299275 0.149637 0.250000 Ba\n0.850363 0.149637 0.250000 Ba\n0.333333 0.666667 0.250000 Li\n0.666667 0.333333 0.750000 Li\n0.000000 0.000000 0.000000 N\n0.000000 0.000000 0.500000 N\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ba",
"Li",
"N"
],
"chemical_system": "Ba-Li-N",
"density": 3.6158191707446483,
"density_atomic": 0.025148450560630094,
"volume": 397.63881181829163,
"volume_molar": 23.94636896408904,
"formula_full": "Ba6 Li2 N2",
"formula_reduced": "Ba3LiN",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.025276232,
"spacegroup": 194
},
{
"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-25781",
"created_at": "2022-09-04T14:38:14.548804Z",
"updated_at": "2022-09-04T14:38:14.548821Z",
"structure_string": "Ba6 Lu2 Ir4 O18\n1.0\n2.944247 -5.099584 -0.000000\n2.944247 5.099584 -0.000000\n-0.000000 0.000000 14.537173\nBa Lu Ir O\n6 2 4 18\ndirect\n0.333334 0.666667 0.090890 Ba\n0.666667 0.333334 0.590890 Ba\n0.333334 0.666667 0.409110 Ba\n0.000000 0.000000 0.250000 Ba\n0.666667 0.333334 0.909110 Ba\n0.000000 0.000000 0.750000 Ba\n0.000000 0.000000 0.000000 Lu\n0.000000 0.000000 0.500000 Lu\n0.333334 0.666667 0.837163 Ir\n0.666667 0.333334 0.162837 Ir\n0.666667 0.333334 0.337163 Ir\n0.333334 0.666667 0.662837 Ir\n0.507707 0.492294 0.250000 O\n0.652070 0.826036 0.584825 O\n0.826036 0.652070 0.415175 O\n0.173965 0.347931 0.584825 O\n0.015413 0.507706 0.750000 O\n0.173966 0.826035 0.915175 O\n0.492294 0.507707 0.750000 O\n0.347931 0.173965 0.084825 O\n0.652070 0.826036 0.915175 O\n0.173965 0.347931 0.915175 O\n0.492295 0.984588 0.750000 O\n0.347931 0.173965 0.415175 O\n0.984588 0.492295 0.250000 O\n0.826036 0.652070 0.084825 O\n0.826035 0.173966 0.084825 O\n0.826035 0.173966 0.415175 O\n0.173966 0.826035 0.584825 O\n0.507706 0.015413 0.250000 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Ba",
"Lu",
"Ir",
"O"
],
"chemical_system": "Ba-Ir-Lu-O",
"density": 8.485582820519486,
"density_atomic": 0.06872303156637727,
"volume": 436.5348750807654,
"volume_molar": 8.76291488128462,
"formula_full": "Ba6 Lu2 Ir4 O18",
"formula_reduced": "Ba3LuIr2O9",
"formula_anonymous": "AB2C3D9",
"energy_above_hull": 2.453953824,
"spacegroup": 194
},
{
"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-21374",
"created_at": "2022-09-04T14:38:30.412832Z",
"updated_at": "2022-09-04T14:38:30.412868Z",
"structure_string": "Ba6 Mg2 Ru4 O18\n1.0\n2.906403 -5.034038 -0.000000\n2.906403 5.034038 0.000000\n-0.000000 0.000000 14.042905\nBa Mg Ru O\n6 2 4 18\ndirect\n0.333332 0.666666 0.589061 Ba\n0.666666 0.333332 0.089061 Ba\n0.666666 0.333332 0.410938 Ba\n0.333332 0.666666 0.910938 Ba\n0.000000 0.000000 0.250000 Ba\n0.000000 0.000000 0.750000 Ba\n0.000000 0.000000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.333332 0.666666 0.339624 Ru\n0.666666 0.333332 0.839623 Ru\n0.333332 0.666666 0.160376 Ru\n0.666666 0.333332 0.660376 Ru\n0.508097 0.491902 0.750000 O\n0.491902 0.508097 0.250000 O\n0.016196 0.508097 0.250000 O\n0.508097 0.016196 0.750000 O\n0.827207 0.654414 0.915058 O\n0.654414 0.827207 0.415058 O\n0.172791 0.827207 0.415058 O\n0.827207 0.172791 0.915058 O\n0.827207 0.654414 0.584941 O\n0.654414 0.827207 0.084941 O\n0.172791 0.827207 0.084941 O\n0.172792 0.345585 0.415058 O\n0.172792 0.345585 0.084941 O\n0.983803 0.491901 0.750000 O\n0.345585 0.172792 0.584941 O\n0.827207 0.172791 0.584941 O\n0.345585 0.172792 0.915058 O\n0.491901 0.983803 0.250000 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Ba",
"Mg",
"Ru",
"O"
],
"chemical_system": "Ba-Mg-O-Ru",
"density": 6.323537424718653,
"density_atomic": 0.07300657565625898,
"volume": 410.9218893000914,
"volume_molar": 8.248764862434294,
"formula_full": "Ba6 Mg2 Ru4 O18",
"formula_reduced": "Ba3MgRu2O9",
"formula_anonymous": "AB2C3D9",
"energy_above_hull": 2.258109964,
"spacegroup": 194
},
{
"id": "jvasp-97993",
"created_at": "2022-09-04T14:38:14.704549Z",
"updated_at": "2022-09-04T14:38:14.704571Z",
"structure_string": "Ba6 Mg2 Sb4 O18\n1.0\n5.899425 -0.000000 0.000000\n-2.949713 5.109052 -0.000000\n-0.000000 -0.000000 14.578408\nBa Mg Sb O\n6 2 4 18\ndirect\n0.000000 0.000000 0.250000 Ba\n0.333334 0.666666 0.910867 Ba\n0.666667 0.333333 0.410867 Ba\n0.666667 0.333333 0.089133 Ba\n0.333334 0.666666 0.589133 Ba\n0.000000 0.000000 0.750000 Ba\n0.000000 0.000000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.333334 0.666666 0.349156 Sb\n0.666667 0.333333 0.849156 Sb\n0.333334 0.666666 0.150844 Sb\n0.666667 0.333333 0.650844 Sb\n0.517015 0.034029 0.750000 O\n0.482986 0.517014 0.250000 O\n0.034029 0.517014 0.250000 O\n0.168081 0.831919 0.083277 O\n0.482986 0.965971 0.250000 O\n0.168081 0.336162 0.416723 O\n0.831920 0.168081 0.916723 O\n0.336162 0.168081 0.916723 O\n0.663839 0.831919 0.416723 O\n0.168081 0.831919 0.416723 O\n0.831920 0.663838 0.583277 O\n0.831920 0.168081 0.583277 O\n0.831920 0.663838 0.916723 O\n0.336162 0.168081 0.583277 O\n0.663839 0.831919 0.083277 O\n0.168081 0.336162 0.083277 O\n0.517015 0.482986 0.750000 O\n0.965972 0.482986 0.750000 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Ba",
"Mg",
"Sb",
"O"
],
"chemical_system": "Ba-Mg-O-Sb",
"density": 6.2264583783948435,
"density_atomic": 0.06827491167874808,
"volume": 439.40005577975865,
"volume_molar": 8.820429952858527,
"formula_full": "Ba6 Mg2 Sb4 O18",
"formula_reduced": "Ba3MgSb2O9",
"formula_anonymous": "AB2C3D9",
"energy_above_hull": 1.764627377333333,
"spacegroup": 194
},
{
"id": "jvasp-96944",
"created_at": "2022-09-04T14:36:20.610070Z",
"updated_at": "2022-09-04T14:36:20.610096Z",
"structure_string": "Ba9 Mg3 Si6 O24\n1.0\n9.793012 0.000000 -0.000000\n-4.896506 8.480998 -0.000000\n-0.000000 -0.000000 7.334133\nBa Mg Si O\n9 3 6 24\ndirect\n0.666027 0.667725 0.177868 Ba\n0.332274 0.998303 0.177868 Ba\n0.998302 0.666028 0.822132 Ba\n0.667725 0.001697 0.822132 Ba\n0.666667 0.333333 0.492641 Ba\n0.333972 0.332275 0.822132 Ba\n0.001697 0.333972 0.177868 Ba\n0.333333 0.666667 0.507359 Ba\n0.000000 0.000000 0.500000 Ba\n0.666667 0.333333 0.983903 Mg\n0.000000 0.000000 0.000000 Mg\n0.333333 0.666667 0.016096 Mg\n0.671014 0.008571 0.258929 Si\n0.337557 0.328986 0.258929 Si\n0.991428 0.662443 0.258929 Si\n0.662442 0.671014 0.741071 Si\n0.328986 0.991429 0.741071 Si\n0.008571 0.337558 0.741071 Si\n0.047873 0.355535 0.524679 O\n0.491084 0.156786 0.801437 O\n0.508922 0.665681 0.848361 O\n0.508916 0.843214 0.198562 O\n0.307662 0.952127 0.524679 O\n0.843213 0.334298 0.801437 O\n0.843242 0.508923 0.151639 O\n0.334298 0.491084 0.198562 O\n0.174416 0.175356 0.175676 O\n0.355535 0.307662 0.475321 O\n0.665702 0.508916 0.801437 O\n0.825584 0.824644 0.824324 O\n0.175356 0.000940 0.824324 O\n0.999060 0.174416 0.824324 O\n0.952127 0.644465 0.475321 O\n0.334319 0.843242 0.848361 O\n0.665680 0.156758 0.151639 O\n0.491077 0.334320 0.151639 O\n0.644464 0.692338 0.524679 O\n0.156786 0.665702 0.198562 O\n0.824644 0.999060 0.175676 O\n0.156758 0.491078 0.848361 O\n0.692337 0.047873 0.475321 O\n0.000940 0.825584 0.175676 O\n",
"nsites": 42,
"nelements": 4,
"elements": [
"Ba",
"Mg",
"Si",
"O"
],
"chemical_system": "Ba-Mg-O-Si",
"density": 5.074189148168894,
"density_atomic": 0.06895047487167687,
"volume": 609.1328606244676,
"volume_molar": 8.734009114814299,
"formula_full": "Ba9 Mg3 Si6 O24",
"formula_reduced": "Ba3Mg(SiO4)2",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 1.8898994399999995,
"spacegroup": 147
},
{
"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-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-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
},
{
"id": "jvasp-22400",
"created_at": "2022-09-04T14:37:11.887216Z",
"updated_at": "2022-09-04T14:37:11.887228Z",
"structure_string": "Ba6 Mn2 N6\n1.0\n4.070851 -7.050921 0.000000\n4.070851 7.050920 0.000000\n0.000000 0.000000 5.553331\nBa Mn N\n6 2 6\ndirect\n0.911630 0.637916 0.750000 Ba\n0.273714 0.911630 0.250000 Ba\n0.637916 0.726286 0.250000 Ba\n0.362083 0.273714 0.750000 Ba\n0.726286 0.088370 0.750000 Ba\n0.088370 0.362083 0.250000 Ba\n0.666667 0.333333 0.250000 Mn\n0.333333 0.666667 0.750000 Mn\n0.317151 0.869784 0.750000 N\n0.447367 0.317151 0.250000 N\n0.869784 0.552633 0.250000 N\n0.130215 0.447367 0.750000 N\n0.552633 0.682849 0.750000 N\n0.682849 0.130215 0.250000 N\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ba",
"Mn",
"N"
],
"chemical_system": "Ba-Mn-N",
"density": 5.301885796471696,
"density_atomic": 0.043915057466412416,
"volume": 318.79726015860575,
"volume_molar": 13.713156961267597,
"formula_full": "Ba6 Mn2 N6",
"formula_reduced": "Ba3MnN3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 2.9714321287684724,
"spacegroup": 176
},
{
"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
}
]
}