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=-volume&page=872",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=870",
"results": [
{
"id": "jvasp-94366",
"created_at": "2022-09-04T14:36:14.968185Z",
"updated_at": "2022-09-04T14:36:14.968194Z",
"structure_string": "Sr4 Mg2\n1.0\n4.140224 -0.000000 -0.000000\n-2.070111 3.585538 -0.000000\n-0.000000 -0.000000 17.827854\nSr Mg\n4 2\ndirect\n0.333333 0.666667 0.000000 Sr\n0.666667 0.333333 0.804718 Sr\n0.666667 0.333333 0.500000 Sr\n0.666667 0.333333 0.195282 Sr\n0.333333 0.666667 0.652701 Mg\n0.333333 0.666667 0.347299 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Sr",
"Mg"
],
"chemical_system": "Mg-Sr",
"density": 2.5040483272336758,
"density_atomic": 0.022671174173727684,
"volume": 264.6532532467178,
"volume_molar": 26.56298572739436,
"formula_full": "Sr4 Mg2",
"formula_reduced": "Sr2Mg",
"formula_anonymous": "AB2",
"energy_above_hull": 0.1697156862745098,
"spacegroup": 187
},
{
"id": "jvasp-117446",
"created_at": "2022-09-04T14:38:27.518498Z",
"updated_at": "2022-09-04T14:38:27.518517Z",
"structure_string": "Na2 Ni7 O14\n1.0\n4.883716 -0.029055 -0.423918\n-1.682942 6.040618 -1.014471\n-0.047834 0.114177 8.968206\nNa Ni O\n2 7 14\ndirect\n0.142097 0.783800 0.783031 Na\n0.857906 0.216201 0.216970 Na\n0.572024 0.146801 0.641174 Ni\n0.427979 0.853201 0.358827 Ni\n0.142148 0.285654 0.785405 Ni\n0.287008 0.571589 0.071958 Ni\n0.000001 0.000000 0.500000 Ni\n0.857855 0.714347 0.214595 Ni\n0.712995 0.428412 0.928043 Ni\n0.730742 0.729816 0.408029 O\n0.127578 0.983048 0.306768 O\n0.154440 0.584788 0.263929 O\n0.845563 0.415213 0.736072 O\n0.872425 0.016953 0.693233 O\n0.299947 0.876234 0.553014 O\n0.411895 0.556001 0.877841 O\n0.559487 0.842055 0.166028 O\n0.588108 0.444001 0.122160 O\n0.012943 0.302401 0.980695 O\n0.440516 0.157946 0.833973 O\n0.700055 0.123767 0.446986 O\n0.269261 0.270185 0.591972 O\n-0.012942 0.697600 0.019306 O\n",
"nsites": 23,
"nelements": 3,
"elements": [
"Na",
"Ni",
"O"
],
"chemical_system": "Na-Ni-O",
"density": 4.271773092218682,
"density_atomic": 0.08690633970411171,
"volume": 264.6527293441151,
"volume_molar": 6.929460820123668,
"formula_full": "Na2 Ni7 O14",
"formula_reduced": "Na2(NiO2)7",
"formula_anonymous": "A2B7C14",
"energy_above_hull": 2.145115382608696,
"spacegroup": 2
},
{
"id": "jvasp-12959",
"created_at": "2022-09-04T14:37:09.361769Z",
"updated_at": "2022-09-04T14:37:09.361787Z",
"structure_string": "Li6 Fe1 Cl8\n1.0\n6.240832 0.000000 3.603147\n2.080277 5.883914 3.603147\n-0.000000 0.000000 7.206293\nLi Fe Cl\n6 1 8\ndirect\n0.500000 0.000000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.500000 0.500000 0.000001 Li\n0.000000 0.500000 0.500000 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Fe\n0.250000 0.250000 0.250000 Cl\n0.242999 0.242999 0.757001 Cl\n0.750000 0.750000 0.750001 Cl\n0.757001 0.242999 0.243000 Cl\n0.757001 0.757000 0.243000 Cl\n0.243000 0.757000 0.243000 Cl\n0.757001 0.242999 0.757001 Cl\n0.243000 0.757000 0.757001 Cl\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Li",
"Fe",
"Cl"
],
"chemical_system": "Cl-Fe-Li",
"density": 2.391577260261689,
"density_atomic": 0.0566853111450148,
"volume": 264.6188174150858,
"volume_molar": 10.623811774789242,
"formula_full": "Li6 Fe1 Cl8",
"formula_reduced": "Li6FeCl8",
"formula_anonymous": "AB6C8",
"energy_above_hull": 0.5822592026666666,
"spacegroup": 225
},
{
"id": "jvasp-41267",
"created_at": "2022-09-04T14:37:46.019877Z",
"updated_at": "2022-09-04T14:37:46.019899Z",
"structure_string": "Mg4 Zn2 B4 Ir10\n1.0\n9.477088 -0.000000 0.000000\n-0.000000 9.477088 0.000000\n-0.000000 -0.000000 2.946166\nMg Zn B Ir\n4 2 4 10\ndirect\n0.676606 0.176606 0.000000 Mg\n0.323394 0.823394 0.000000 Mg\n0.176606 0.323394 0.000000 Mg\n0.823394 0.676606 0.000000 Mg\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.000000 Zn\n0.372621 0.127380 0.000000 B\n0.627380 0.872621 0.000000 B\n0.872621 0.372621 0.000000 B\n0.127380 0.627380 0.000000 B\n0.000000 0.500000 0.500001 Ir\n0.784692 0.929338 0.500001 Ir\n0.215308 0.070663 0.500001 Ir\n0.284692 0.570663 0.500001 Ir\n0.715308 0.429337 0.500001 Ir\n0.570663 0.715308 0.500001 Ir\n0.429337 0.284692 0.500001 Ir\n0.929338 0.215308 0.500001 Ir\n0.070663 0.784692 0.500001 Ir\n0.500000 0.000000 0.500001 Ir\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Mg",
"Zn",
"B",
"Ir"
],
"chemical_system": "B-Ir-Mg-Zn",
"density": 13.76480909858309,
"density_atomic": 0.07558279639111531,
"volume": 264.6104795661011,
"volume_molar": 7.9676077725908225,
"formula_full": "Mg4 Zn2 B4 Ir10",
"formula_reduced": "Mg2ZnB2Ir5",
"formula_anonymous": "AB2C2D5",
"energy_above_hull": 3.405042916666667,
"spacegroup": 127
},
{
"id": "jvasp-21274",
"created_at": "2022-09-04T14:37:28.044934Z",
"updated_at": "2022-09-04T14:37:28.044960Z",
"structure_string": "Ca6 Te2 O12\n1.0\n0.000000 5.600326 -0.005910\n5.852534 0.000000 0.000000\n0.000000 -5.557204 -8.067308\nCa Te O\n6 2 12\ndirect\n0.728554 0.555594 0.745003 Ca\n0.271448 0.055595 0.754998 Ca\n0.271447 0.444405 0.254997 Ca\n0.728554 0.944405 0.245003 Ca\n0.500000 0.500000 0.000000 Ca\n0.500001 0.000000 0.500000 Ca\n0.000001 0.500000 0.500000 Te\n0.000000 0.000000 0.000000 Te\n0.889876 0.555781 0.274095 O\n0.110125 0.055782 0.225905 O\n0.334178 0.178774 0.050678 O\n0.665823 0.678774 0.449322 O\n0.665824 0.821225 0.949322 O\n0.241418 0.724007 0.071087 O\n0.758584 0.275992 0.928914 O\n0.241418 0.775992 0.571087 O\n0.889877 0.944218 0.774095 O\n0.758583 0.224007 0.428913 O\n0.334178 0.321225 0.550678 O\n0.110126 0.444218 0.725906 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ca",
"Te",
"O"
],
"chemical_system": "Ca-O-Te",
"density": 4.31540817535655,
"density_atomic": 0.0755837630350103,
"volume": 264.6070954516518,
"volume_molar": 7.967505874523014,
"formula_full": "Ca6 Te2 O12",
"formula_reduced": "Ca3TeO6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 1.4237030026666666,
"spacegroup": 14
},
{
"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-117273",
"created_at": "2022-09-04T14:38:52.159316Z",
"updated_at": "2022-09-04T14:38:52.159337Z",
"structure_string": "Li4 Ni2 P4 O14\n1.0\n6.938847 0.035614 3.226805\n4.754441 5.054123 3.226805\n0.003902 0.001698 7.583715\nLi Ni P O\n4 2 4 14\ndirect\n0.938126 0.646439 0.807045 Li\n0.353560 0.061875 0.692955 Li\n0.646441 0.938124 0.307045 Li\n0.061875 0.353560 0.192956 Li\n-0.000000 0.000000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.533779 0.247001 0.857364 P\n0.247001 0.533778 0.357364 P\n0.752999 0.466221 0.642637 P\n0.466222 0.752998 0.142637 P\n0.284215 0.940315 0.295633 O\n0.734801 0.661878 0.075674 O\n0.877701 0.332142 0.465911 O\n0.940316 0.284214 0.795633 O\n0.661879 0.734800 0.575674 O\n0.332143 0.877699 0.965910 O\n0.265199 0.338121 0.924327 O\n0.338122 0.265199 0.424327 O\n0.059684 0.715785 0.204368 O\n0.122300 0.667857 0.534090 O\n0.494272 0.505728 0.750000 O\n0.715786 0.059684 0.704368 O\n0.667858 0.122299 0.034090 O\n0.505729 0.494271 0.250001 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Ni",
"P",
"O"
],
"chemical_system": "Li-Ni-O-P",
"density": 3.0941343629881066,
"density_atomic": 0.09070294881474358,
"volume": 264.5999971733978,
"volume_molar": 6.639410116974183,
"formula_full": "Li4 Ni2 P4 O14",
"formula_reduced": "Li2NiP2O7",
"formula_anonymous": "AB2C2D7",
"energy_above_hull": 2.387877325,
"spacegroup": 15
},
{
"id": "jvasp-42675",
"created_at": "2022-09-04T14:35:51.516826Z",
"updated_at": "2022-09-04T14:35:51.516856Z",
"structure_string": "Sm4 V4 O14\n1.0\n-5.095471 5.095471 0.000000\n5.095471 -0.000000 5.095471\n5.095471 5.095471 -0.000000\nSm V O\n4 4 14\ndirect\n0.000000 0.000000 0.000000 Sm\n0.500000 0.500000 0.000000 Sm\n0.000000 0.500000 0.000000 Sm\n0.000000 0.000000 0.500000 Sm\n0.500000 0.000000 0.000000 V\n0.500000 0.000000 0.500000 V\n0.500000 0.500000 0.500000 V\n0.000000 0.500000 0.500000 V\n0.175082 0.350165 0.574918 O\n0.574918 0.750000 0.574918 O\n0.875000 0.750000 0.875000 O\n0.175082 0.750000 0.175082 O\n0.425082 0.250000 0.824917 O\n0.574918 0.750000 0.175082 O\n0.824917 0.250000 0.824917 O\n0.425082 0.250000 0.425082 O\n0.125000 0.250000 0.125000 O\n0.175082 0.750000 0.574918 O\n0.824917 0.250000 0.425082 O\n0.574918 0.149835 0.175082 O\n0.824917 0.649835 0.425082 O\n0.425082 0.850164 0.824917 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Sm",
"V",
"O"
],
"chemical_system": "O-Sm-V",
"density": 6.458993744665853,
"density_atomic": 0.0831456786587088,
"volume": 264.59583173653834,
"volume_molar": 7.242878832848678,
"formula_full": "Sm4 V4 O14",
"formula_reduced": "Sm2V2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 2.868253695454545,
"spacegroup": 227
},
{
"id": "jvasp-10006",
"created_at": "2022-09-04T14:38:10.837451Z",
"updated_at": "2022-09-04T14:38:10.837478Z",
"structure_string": "Ba3 Y2 Cu2 Pt1 O10\n1.0\n5.855283 0.000000 0.000000\n-2.927642 6.059377 -1.707238\n0.000000 -0.009960 7.460535\nBa Y Cu Pt O\n3 2 2 1 10\ndirect\n0.000000 0.000000 0.000000 Ba\n0.847187 0.694374 0.460705 Ba\n0.152813 0.305626 0.539294 Ba\n0.311263 0.622526 0.126236 Y\n0.688737 0.377474 0.873763 Y\n0.410588 0.821174 0.800262 Cu\n0.589412 0.178826 0.199738 Cu\n0.500000 -0.000000 0.500000 Pt\n0.297209 0.036771 0.718715 O\n0.666844 0.333687 0.550170 O\n0.702791 0.963229 0.281284 O\n0.087209 0.632441 0.873014 O\n0.454768 0.367560 0.126985 O\n0.912791 0.367560 0.126985 O\n0.545232 0.632441 0.873014 O\n0.333156 0.666314 0.449829 O\n0.739561 0.036771 0.718715 O\n0.260439 0.963229 0.281284 O\n",
"nsites": 18,
"nelements": 5,
"elements": [
"Ba",
"Y",
"Cu",
"Pt",
"O"
],
"chemical_system": "Ba-Cu-O-Pt-Y",
"density": 6.727385630026477,
"density_atomic": 0.06802836871532775,
"volume": 264.59549655413605,
"volume_molar": 8.852396248395014,
"formula_full": "Ba3 Y2 Cu2 Pt1 O10",
"formula_reduced": "Ba3Y2Cu2PtO10",
"formula_anonymous": "AB2C2D3E10",
"energy_above_hull": 2.030793117222222,
"spacegroup": 12
},
{
"id": "jvasp-9977",
"created_at": "2022-09-04T14:37:18.321803Z",
"updated_at": "2022-09-04T14:37:18.321824Z",
"structure_string": "Sr6 Ga2 O8 F2\n1.0\n6.047642 -0.000000 -3.098023\n-1.587022 5.835695 -3.098023\n0.013522 0.017691 7.478201\nSr Ga O F\n6 2 8 2\ndirect\n0.250000 0.250000 0.500000 Sr\n0.166089 0.666089 0.000000 Sr\n0.333911 0.166089 0.000000 Sr\n0.666089 0.833910 0.000000 Sr\n0.833911 0.333911 0.000000 Sr\n0.750000 0.749999 0.500000 Sr\n0.250000 0.749999 0.500000 Ga\n0.750000 0.250000 0.500000 Ga\n0.495348 0.995347 0.288098 O\n0.995348 0.792749 0.288098 O\n0.292750 0.495348 0.288098 O\n0.004652 0.207250 0.711902 O\n0.707249 0.504652 0.711902 O\n0.504652 0.004652 0.711902 O\n0.207250 0.707249 0.711902 O\n0.792750 0.292750 0.288098 O\n0.500000 0.500000 0.000000 F\n0.000000 0.000000 0.000000 F\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Sr",
"Ga",
"O",
"F"
],
"chemical_system": "F-Ga-O-Sr",
"density": 5.21635855145308,
"density_atomic": 0.06803106196030848,
"volume": 264.5850216258829,
"volume_molar": 8.852045795659505,
"formula_full": "Sr6 Ga2 O8 F2",
"formula_reduced": "Sr3GaO4F",
"formula_anonymous": "ABC3D4",
"energy_above_hull": 0.6330339486111113,
"spacegroup": 140
},
{
"id": "jvasp-42321",
"created_at": "2022-09-04T14:35:42.408825Z",
"updated_at": "2022-09-04T14:35:42.408839Z",
"structure_string": "Li4 Mn4 F16\n1.0\n4.563815 0.000000 0.000000\n-0.000000 5.806088 0.000000\n0.000000 0.000000 9.984321\nLi Mn F\n4 4 16\ndirect\n0.500001 0.000000 0.000000 Li\n0.500001 0.500000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.000000 0.500000 0.500000 Li\n0.975613 0.750000 0.239685 Mn\n0.475612 0.250000 0.260314 Mn\n0.524389 0.750000 0.739685 Mn\n0.024389 0.250000 0.760314 Mn\n0.761815 0.498915 0.827691 F\n0.319938 0.750000 0.901407 F\n0.819938 0.250000 0.598593 F\n0.261814 0.501085 0.672309 F\n0.261814 0.998915 0.672309 F\n0.751709 0.750000 0.587329 F\n0.248292 0.250000 0.412671 F\n0.680064 0.250000 0.098593 F\n0.738187 0.498915 0.327691 F\n0.180063 0.750000 0.401407 F\n0.761815 0.001085 0.827691 F\n0.238186 0.501085 0.172309 F\n0.238186 0.998915 0.172309 F\n0.748293 0.750000 0.087329 F\n0.738187 0.001085 0.327691 F\n0.251708 0.250000 0.912671 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Li",
"Mn",
"F"
],
"chemical_system": "F-Li-Mn",
"density": 3.461441974655023,
"density_atomic": 0.09071540859705651,
"volume": 264.56365430270176,
"volume_molar": 6.638498192461873,
"formula_full": "Li4 Mn4 F16",
"formula_reduced": "LiMnF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.3467013952298849,
"spacegroup": 62
},
{
"id": "jvasp-26872",
"created_at": "2022-09-04T14:38:30.233236Z",
"updated_at": "2022-09-04T14:38:30.233264Z",
"structure_string": "Cd4 Ru4 O14\n1.0\n6.240347 0.000000 3.602866\n2.080116 5.883456 3.602866\n0.000000 0.000000 7.205733\nCd Ru O\n4 4 14\ndirect\n0.500000 0.500000 0.500000 Cd\n0.500000 0.500000 0.000000 Cd\n0.000000 0.500000 0.500000 Cd\n0.500000 -0.000000 0.500000 Cd\n0.000000 0.000000 0.000000 Ru\n-0.000000 -0.000000 0.500000 Ru\n0.500000 -0.000000 0.000000 Ru\n0.000000 0.500000 -0.000000 Ru\n0.318814 0.931187 0.931186 O\n0.068814 0.681187 0.681186 O\n0.931187 0.318814 0.931186 O\n0.931187 0.931187 0.318814 O\n0.318814 0.318814 0.931186 O\n0.318814 0.931187 0.318813 O\n0.068814 0.068814 0.681186 O\n0.681187 0.068814 0.681186 O\n0.681187 0.068814 0.068814 O\n0.375000 0.375000 0.375000 O\n0.681187 0.681187 0.068814 O\n0.931187 0.318814 0.318814 O\n0.068814 0.681187 0.068813 O\n0.625001 0.625000 0.625000 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Cd",
"Ru",
"O"
],
"chemical_system": "Cd-O-Ru",
"density": 6.765726524705752,
"density_atomic": 0.08315785250436372,
"volume": 264.557096382997,
"volume_molar": 7.241818515796794,
"formula_full": "Cd4 Ru4 O14",
"formula_reduced": "Cd2Ru2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 2.3215131818181813,
"spacegroup": 227
}
]
}