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_anonymous&page=4431",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_anonymous&page=4429",
"results": [
{
"id": "jvasp-94043",
"created_at": "2022-09-04T14:35:49.330364Z",
"updated_at": "2022-09-04T14:35:49.330390Z",
"structure_string": "Mg6 V1 Sb1\n1.0\n6.278107 0.093788 0.000000\n-3.057831 5.296318 0.000000\n0.000000 0.000000 5.143382\nMg V Sb\n6 1 1\ndirect\n0.665834 0.330791 0.250000 Mg\n0.665834 0.835042 0.250000 Mg\n0.335945 0.177812 0.750000 Mg\n0.335945 0.658134 0.750000 Mg\n0.843854 0.171927 0.750000 Mg\n0.824833 0.662417 0.750000 Mg\n0.166468 0.333234 0.250000 V\n0.161293 0.830646 0.250000 Sb\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"V",
"Sb"
],
"chemical_system": "Mg-Sb-V",
"density": 3.0663393646115074,
"density_atomic": 0.046377648120831734,
"volume": 172.49688856918536,
"volume_molar": 12.985006795320865,
"formula_full": "Mg6 V1 Sb1",
"formula_reduced": "Mg6VSb",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.135059325,
"spacegroup": 38
},
{
"id": "jvasp-94067",
"created_at": "2022-09-04T14:36:02.327751Z",
"updated_at": "2022-09-04T14:36:02.327781Z",
"structure_string": "Mg6 V1 Cr1\n1.0\n6.196278 -0.014033 0.000000\n-3.110292 5.387185 0.000000\n0.000000 0.000000 4.933691\nMg V Cr\n6 1 1\ndirect\n0.662305 0.330520 0.250000 Mg\n0.662305 0.831784 0.250000 Mg\n0.326471 0.164809 0.750000 Mg\n0.326471 0.661662 0.750000 Mg\n0.845986 0.172993 0.750000 Mg\n0.845493 0.672747 0.750000 Mg\n0.164313 0.332156 0.250000 V\n0.166659 0.833329 0.250000 Cr\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"V",
"Cr"
],
"chemical_system": "Cr-Mg-V",
"density": 2.511576539979788,
"density_atomic": 0.04863999156963834,
"volume": 164.47371271737012,
"volume_molar": 12.381048116297562,
"formula_full": "Mg6 V1 Cr1",
"formula_reduced": "Mg6VCr",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.6307457375000001,
"spacegroup": 38
},
{
"id": "jvasp-93163",
"created_at": "2022-09-04T14:35:53.081947Z",
"updated_at": "2022-09-04T14:35:53.081976Z",
"structure_string": "Li1 Mg6 Bi1\n1.0\n6.468075 0.021208 0.000000\n-3.215671 5.612120 0.000000\n0.000000 0.000000 5.112544\nLi Mg Bi\n1 6 1\ndirect\n0.164034 0.335966 0.250000 Li\n0.160680 0.814007 0.250000 Mg\n0.685993 0.339320 0.250000 Mg\n0.664517 0.835482 0.250000 Mg\n0.333203 0.666110 0.749999 Mg\n0.833889 0.166798 0.749999 Mg\n0.830795 0.669205 0.749999 Mg\n0.326887 0.173113 0.749999 Bi\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Li",
"Mg",
"Bi"
],
"chemical_system": "Bi-Li-Mg",
"density": 3.230762978845626,
"density_atomic": 0.04302647492732054,
"volume": 185.93203402122623,
"volume_molar": 13.996361008361664,
"formula_full": "Li1 Mg6 Bi1",
"formula_reduced": "LiMg6Bi",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 38
},
{
"id": "jvasp-92985",
"created_at": "2022-09-04T14:35:50.930945Z",
"updated_at": "2022-09-04T14:35:50.930974Z",
"structure_string": "Zr1 V1 F6\n1.0\n5.002905 -0.000000 2.888429\n1.667635 4.716784 2.888429\n0.000000 -0.000000 5.776857\nZr V F\n1 1 6\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.500001 V\n0.750978 0.249022 0.750979 F\n0.249023 0.750977 0.750979 F\n0.249023 0.750977 0.249022 F\n0.249022 0.249022 0.750979 F\n0.750978 0.750977 0.249023 F\n0.750978 0.249022 0.249023 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Zr",
"V",
"F"
],
"chemical_system": "F-V-Zr",
"density": 3.120280459680502,
"density_atomic": 0.058685407556624374,
"volume": 136.32008932171019,
"volume_molar": 10.261734578888897,
"formula_full": "Zr1 V1 F6",
"formula_reduced": "ZrVF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.7065800493750001,
"spacegroup": 225
},
{
"id": "jvasp-93164",
"created_at": "2022-09-04T14:35:55.641931Z",
"updated_at": "2022-09-04T14:35:55.641952Z",
"structure_string": "Na1 Li1 Mg6\n1.0\n6.518276 0.058733 0.000000\n-3.208274 5.556893 0.000000\n0.000000 0.000000 5.171181\nNa Li Mg\n1 1 6\ndirect\n0.162594 0.831295 0.250000 Na\n0.165604 0.332801 0.250000 Li\n0.662339 0.331179 0.250000 Mg\n0.662339 0.831158 0.250000 Mg\n0.337347 0.174937 0.750000 Mg\n0.337347 0.662409 0.750000 Mg\n0.842318 0.171159 0.750000 Mg\n0.830115 0.665057 0.750000 Mg\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Na",
"Li",
"Mg"
],
"chemical_system": "Li-Mg-Na",
"density": 1.5501120180089807,
"density_atomic": 0.04248953987939083,
"volume": 188.28163408472983,
"volume_molar": 14.173231287263212,
"formula_full": "Na1 Li1 Mg6",
"formula_reduced": "NaLiMg6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0002449999999999,
"spacegroup": 38
},
{
"id": "jvasp-93182",
"created_at": "2022-09-04T14:35:50.786241Z",
"updated_at": "2022-09-04T14:35:50.786272Z",
"structure_string": "K1 Ba1 Mg6\n1.0\n7.434916 0.251487 0.000000\n-3.499663 6.564567 0.000000\n0.000000 0.000000 5.325336\nK Ba Mg\n1 1 6\ndirect\n0.098134 0.401866 0.250000 K\n0.402574 0.097426 0.750001 Ba\n0.030096 0.874115 0.250000 Mg\n0.625886 0.469905 0.250000 Mg\n0.597609 0.902393 0.250000 Mg\n0.476001 0.629243 0.750001 Mg\n0.870758 0.024000 0.750001 Mg\n0.898952 0.601050 0.750001 Mg\n",
"nsites": 8,
"nelements": 3,
"elements": [
"K",
"Ba",
"Mg"
],
"chemical_system": "Ba-K-Mg",
"density": 2.0223591872704887,
"density_atomic": 0.030234243960563848,
"volume": 264.6006300152513,
"volume_molar": 19.918277989206555,
"formula_full": "K1 Ba1 Mg6",
"formula_reduced": "KBaMg6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 38
},
{
"id": "jvasp-94803",
"created_at": "2022-09-04T14:35:58.412089Z",
"updated_at": "2022-09-04T14:35:58.412121Z",
"structure_string": "Ba1 Mg6 Fe1\n1.0\n7.919457 -0.994347 0.000000\n-4.820858 6.361277 0.000000\n0.000000 0.000000 4.682530\nBa Mg Fe\n1 6 1\ndirect\n0.279797 0.220203 0.750000 Ba\n0.208070 0.804244 0.250000 Mg\n0.695757 0.291930 0.250000 Mg\n0.682601 0.817399 0.250000 Mg\n0.320517 0.673235 0.750000 Mg\n0.826765 0.179483 0.750000 Mg\n0.880336 0.619664 0.750000 Mg\n0.106159 0.393841 0.250000 Fe\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ba",
"Mg",
"Fe"
],
"chemical_system": "Ba-Fe-Mg",
"density": 2.6372781568647907,
"density_atomic": 0.03747956717518276,
"volume": 213.44963677428032,
"volume_molar": 16.06779697281986,
"formula_full": "Ba1 Mg6 Fe1",
"formula_reduced": "BaMg6Fe",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 38
},
{
"id": "jvasp-86468",
"created_at": "2022-09-04T14:36:02.651269Z",
"updated_at": "2022-09-04T14:36:02.651295Z",
"structure_string": "Cu1 Sn1 F6\n1.0\n5.059826 0.059100 0.008583\n2.470901 3.723763 2.371251\n-0.006209 -0.081060 5.525189\nCu Sn F\n1 1 6\ndirect\n0.000000 0.000000 0.000000 Cu\n0.500000 -0.000000 0.500000 Sn\n0.749973 0.852165 0.251904 F\n0.250027 0.147834 0.748096 F\n0.601909 0.502977 0.747667 F\n0.398092 0.497022 0.252333 F\n0.104872 0.144843 0.252416 F\n0.895128 0.855156 0.747584 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Cu",
"Sn",
"F"
],
"chemical_system": "Cu-F-Sn",
"density": 4.717985545489566,
"density_atomic": 0.07672632302561788,
"volume": 104.26669341796698,
"volume_molar": 7.848858804284533,
"formula_full": "Cu1 Sn1 F6",
"formula_reduced": "CuSnF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.00014875,
"spacegroup": 148
},
{
"id": "jvasp-91956",
"created_at": "2022-09-04T14:36:03.047685Z",
"updated_at": "2022-09-04T14:36:03.047715Z",
"structure_string": "Sr1 Mg6 Fe1\n1.0\n7.293474 0.688733 0.000000\n-3.050277 5.283234 0.000000\n0.000000 0.000000 4.911785\nSr Mg Fe\n1 6 1\ndirect\n0.100231 0.800115 0.250000 Sr\n0.618967 0.302392 0.250000 Mg\n0.618966 0.816573 0.250000 Mg\n0.347297 0.184213 0.749999 Mg\n0.347297 0.663085 0.749999 Mg\n0.927182 0.213591 0.749999 Mg\n0.758571 0.629286 0.749999 Mg\n0.281481 0.390740 0.250000 Fe\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Sr",
"Mg",
"Fe"
],
"chemical_system": "Fe-Mg-Sr",
"density": 2.406919514231965,
"density_atomic": 0.040083121015447386,
"volume": 199.58525676972434,
"volume_molar": 15.024131373600285,
"formula_full": "Sr1 Mg6 Fe1",
"formula_reduced": "SrMg6Fe",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 38
},
{
"id": "jvasp-94083",
"created_at": "2022-09-04T14:35:49.230096Z",
"updated_at": "2022-09-04T14:35:49.230117Z",
"structure_string": "Ba1 Mg6 V1\n1.0\n6.604689 0.000411 0.000000\n-3.301988 5.720033 0.000000\n0.000000 0.000000 5.161138\nBa Mg V\n1 6 1\ndirect\n0.416670 0.083330 0.750000 Ba\n0.062425 0.906123 0.250000 Mg\n0.593876 0.437574 0.250000 Mg\n0.593840 0.906159 0.250000 Mg\n0.387371 0.568696 0.750000 Mg\n0.931303 0.112628 0.750000 Mg\n0.931246 0.568753 0.750000 Mg\n0.083265 0.416735 0.250000 V\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ba",
"Mg",
"V"
],
"chemical_system": "Ba-Mg-V",
"density": 2.845192428316712,
"density_atomic": 0.041027779049665036,
"volume": 194.98983823413454,
"volume_molar": 14.67820315769485,
"formula_full": "Ba1 Mg6 V1",
"formula_reduced": "BaMg6V",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 187
},
{
"id": "jvasp-93056",
"created_at": "2022-09-04T14:35:55.312670Z",
"updated_at": "2022-09-04T14:35:55.312703Z",
"structure_string": "Na1 Mg6 Ga1\n1.0\n6.411576 0.024882 0.000000\n-3.184240 5.515265 0.000000\n0.000000 0.000000 5.125458\nNa Mg Ga\n1 6 1\ndirect\n0.166124 0.333062 0.250000 Na\n0.667666 0.332434 0.250000 Mg\n0.667666 0.835230 0.250000 Mg\n0.330080 0.158936 0.750000 Mg\n0.330080 0.671142 0.750000 Mg\n0.826578 0.163288 0.750000 Mg\n0.835339 0.667669 0.750000 Mg\n0.176469 0.838233 0.250000 Ga\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Na",
"Mg",
"Ga"
],
"chemical_system": "Ga-Mg-Na",
"density": 2.1806176064716274,
"density_atomic": 0.044040693294812285,
"volume": 181.65018308061806,
"volume_molar": 13.674037144890654,
"formula_full": "Na1 Mg6 Ga1",
"formula_reduced": "NaMg6Ga",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 38
},
{
"id": "jvasp-94754",
"created_at": "2022-09-04T14:35:53.035931Z",
"updated_at": "2022-09-04T14:35:53.035960Z",
"structure_string": "Mg6 Al1 Si1\n1.0\n6.140281 -0.041377 0.000000\n-3.105975 5.296952 0.000000\n0.000000 0.000000 5.081168\nMg Al Si\n6 1 1\ndirect\n0.166564 0.846000 0.250000 Mg\n0.654000 0.333435 0.250000 Mg\n0.665817 0.834182 0.250000 Mg\n0.335293 0.657601 0.750000 Mg\n0.842398 0.164706 0.750000 Mg\n0.835105 0.664894 0.750000 Mg\n0.158962 0.341038 0.250000 Al\n0.341860 0.158139 0.750000 Si\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Al",
"Si"
],
"chemical_system": "Al-Mg-Si",
"density": 2.0265822372457842,
"density_atomic": 0.048599475965107226,
"volume": 164.61082843246558,
"volume_molar": 12.391369743006475,
"formula_full": "Mg6 Al1 Si1",
"formula_reduced": "Mg6AlSi",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0004525000000001,
"spacegroup": 38
}
]
}