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=627",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=625",
"results": [
{
"id": "jvasp-117097",
"created_at": "2022-09-04T14:38:48.567581Z",
"updated_at": "2022-09-04T14:38:48.567618Z",
"structure_string": "V4 F20\n1.0\n8.042494 0.000000 0.000000\n-0.000000 4.536794 4.408743\n-0.000000 0.415208 8.806143\nV F\n4 20\ndirect\n0.649358 0.109501 0.051517 V\n0.149359 0.890498 0.448483 V\n0.850641 0.109501 0.551517 V\n0.350641 0.890499 0.948483 V\n0.378732 0.716428 0.864730 F\n0.625826 0.458736 0.768783 F\n0.873605 0.734849 0.822744 F\n0.125827 0.541264 0.731216 F\n0.373605 0.265150 0.677255 F\n0.878732 0.283572 0.635269 F\n0.637948 0.092624 0.543241 F\n0.105134 0.086394 0.541205 F\n0.894866 0.913605 0.458795 F\n0.121268 0.716428 0.364731 F\n0.137948 0.907376 0.956759 F\n0.626395 0.734849 0.322745 F\n0.874173 0.458736 0.268783 F\n0.126395 0.265150 0.177255 F\n0.374173 0.541263 0.231216 F\n0.621268 0.283572 0.135269 F\n0.862052 0.092624 0.043241 F\n0.394866 0.086394 0.041205 F\n0.362052 0.907375 0.456759 F\n0.605134 0.913605 0.958795 F\n",
"nsites": 24,
"nelements": 2,
"elements": [
"V",
"F"
],
"chemical_system": "F-V",
"density": 3.1616066472458355,
"density_atomic": 0.0782807436670509,
"volume": 306.58880940220075,
"volume_molar": 7.693004023586935,
"formula_full": "V4 F20",
"formula_reduced": "VF5",
"formula_anonymous": "AB5",
"energy_above_hull": 0.2056176020833333,
"spacegroup": 14
},
{
"id": "jvasp-85620",
"created_at": "2022-09-04T14:35:53.674645Z",
"updated_at": "2022-09-04T14:35:53.674672Z",
"structure_string": "Ce4 Zn12\n1.0\n4.575765 -0.000000 0.000000\n0.000000 6.497045 0.000000\n0.000000 0.000000 10.312586\nCe Zn\n4 12\ndirect\n0.750001 0.750001 0.649229 Ce\n0.250000 0.750001 0.149229 Ce\n0.250000 0.250000 0.350772 Ce\n0.750001 0.250000 0.850772 Ce\n0.250000 0.250000 0.049010 Zn\n0.250000 0.443784 0.631328 Zn\n0.750001 0.556217 0.368672 Zn\n0.750001 0.056217 0.131328 Zn\n0.250000 0.056217 0.631328 Zn\n0.250000 0.943784 0.868673 Zn\n0.750001 0.943784 0.368672 Zn\n0.750001 0.250000 0.549010 Zn\n0.750001 0.750001 0.950990 Zn\n0.750001 0.443784 0.131328 Zn\n0.250000 0.556217 0.868673 Zn\n0.250000 0.750001 0.450990 Zn\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Ce",
"Zn"
],
"chemical_system": "Ce-Zn",
"density": 7.286925210757665,
"density_atomic": 0.052188259416060756,
"volume": 306.5823650573036,
"volume_molar": 11.539263480679924,
"formula_full": "Ce4 Zn12",
"formula_reduced": "CeZn3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.2736985500000002,
"spacegroup": 63
},
{
"id": "jvasp-53468",
"created_at": "2022-09-04T14:38:32.751047Z",
"updated_at": "2022-09-04T14:38:32.751078Z",
"structure_string": "Dy4 Pb2 S8\n1.0\n6.931494 0.000000 -2.465663\n-3.458672 6.015104 -2.445650\n-0.014151 0.000000 7.356962\nDy Pb S\n4 2 8\ndirect\n0.250000 0.630121 0.380121 Dy\n0.619878 0.369878 0.250000 Dy\n0.750000 0.869878 0.119878 Dy\n0.880121 0.130121 0.750000 Dy\n0.125000 0.750000 0.875000 Pb\n0.375000 0.250000 0.625000 Pb\n0.981937 0.848570 0.486119 S\n0.986118 0.348571 0.481937 S\n0.133366 0.151429 0.137548 S\n0.366633 0.504181 0.018063 S\n0.518062 0.004182 0.866634 S\n0.637548 0.651429 0.633366 S\n0.513881 0.995818 0.362452 S\n0.862451 0.495818 0.013881 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Dy",
"Pb",
"S"
],
"chemical_system": "Dy-Pb-S",
"density": 7.155736875973196,
"density_atomic": 0.045672710393464634,
"volume": 306.5287757041736,
"volume_molar": 13.185424530578583,
"formula_full": "Dy4 Pb2 S8",
"formula_reduced": "Dy2PbS4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.4880948314285711,
"spacegroup": 122
},
{
"id": "jvasp-102433",
"created_at": "2022-09-04T14:36:52.470718Z",
"updated_at": "2022-09-04T14:36:52.470739Z",
"structure_string": "K3 V1 Se4\n1.0\n6.461439 -0.035028 -4.130033\n-1.955897 6.158400 -4.130033\n0.025773 0.035028 7.668553\nK V Se\n3 1 4\ndirect\n0.500000 0.500000 0.000000 K\n0.750000 0.250000 0.500000 K\n0.249999 0.750000 0.500000 K\n0.000000 0.000000 0.000000 V\n0.295319 0.923549 0.000000 Se\n0.923549 0.295319 0.000000 Se\n0.704680 0.704681 0.628230 Se\n0.076451 0.076451 0.371770 Se\n",
"nsites": 8,
"nelements": 3,
"elements": [
"K",
"V",
"Se"
],
"chemical_system": "K-Se-V",
"density": 2.6226062426345713,
"density_atomic": 0.026101175693189038,
"volume": 306.499603467577,
"volume_molar": 23.07229693707416,
"formula_full": "K3 V1 Se4",
"formula_reduced": "K3VSe4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 0.9146027083333332,
"spacegroup": 121
},
{
"id": "jvasp-119062",
"created_at": "2022-09-04T14:38:50.539138Z",
"updated_at": "2022-09-04T14:38:50.539162Z",
"structure_string": "Mg4 Ti8 O16\n1.0\n6.006263 -0.000000 0.000000\n0.000000 6.006263 0.000000\n-0.000000 -0.000000 8.494736\nMg Ti O\n4 8 16\ndirect\n0.250003 0.749997 0.750000 Mg\n0.749997 0.250003 0.250000 Mg\n0.249997 0.249997 0.500000 Mg\n0.750003 0.750003 -0.000000 Mg\n0.999954 0.250005 0.874999 Ti\n0.000046 0.749995 0.374999 Ti\n0.750005 0.500045 0.624999 Ti\n0.249995 0.499954 0.124999 Ti\n0.749995 0.000046 0.625001 Ti\n0.500045 0.750005 0.375001 Ti\n0.499954 0.249995 0.875002 Ti\n0.250005 0.999954 0.125001 Ti\n0.749957 0.484020 0.867015 O\n0.484020 0.749957 0.132985 O\n0.515979 0.250043 0.632986 O\n0.015979 0.249957 0.117015 O\n0.984020 0.750042 0.617015 O\n0.250043 0.515979 0.367015 O\n0.484021 0.249965 0.117004 O\n0.015979 0.749964 0.132996 O\n0.250035 0.984021 0.367004 O\n0.749964 0.015979 0.867004 O\n0.249965 0.484021 0.882997 O\n0.750035 0.515979 0.382996 O\n0.750042 0.984020 0.382985 O\n0.984021 0.250035 0.632997 O\n0.515979 0.750035 0.617004 O\n0.249957 0.015979 0.882986 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Mg",
"Ti",
"O"
],
"chemical_system": "Mg-O-Ti",
"density": 3.9889143722757856,
"density_atomic": 0.09136912269849187,
"volume": 306.4492595862712,
"volume_molar": 6.591002060808231,
"formula_full": "Mg4 Ti8 O16",
"formula_reduced": "MgTi2O4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.240115673809523,
"spacegroup": 227
},
{
"id": "jvasp-44556",
"created_at": "2022-09-04T14:38:15.159908Z",
"updated_at": "2022-09-04T14:38:15.159936Z",
"structure_string": "K2 Ti2 P2 C2 O14\n1.0\n0.000000 5.216988 -0.438990\n6.358962 0.000000 0.000000\n0.000000 0.595946 -9.287602\nK Ti P C O\n2 2 2 2 14\ndirect\n0.907024 0.639664 0.153676 K\n0.092977 0.139664 0.846324 K\n0.264268 0.231270 0.338056 Ti\n0.735733 0.731270 0.661944 Ti\n0.296107 0.734411 0.439144 P\n0.703894 0.234411 0.560856 P\n0.473903 0.239125 0.084428 C\n0.526098 0.739125 0.915572 C\n0.399093 0.746625 0.803245 O\n0.735077 0.427834 0.656272 O\n0.738651 0.041246 0.654633 O\n0.088844 0.738302 0.575097 O\n0.434762 0.233213 0.511820 O\n0.565239 0.733213 0.488179 O\n0.600908 0.246625 0.196755 O\n0.261350 0.541245 0.345367 O\n0.264924 0.927834 0.343727 O\n0.783067 0.738142 0.869774 O\n0.216935 0.238142 0.130226 O\n0.429744 0.732313 0.044964 O\n0.911157 0.238303 0.424902 O\n0.570256 0.232313 -0.044964 O\n",
"nsites": 22,
"nelements": 5,
"elements": [
"K",
"Ti",
"P",
"C",
"O"
],
"chemical_system": "C-K-O-P-Ti",
"density": 2.6220340818507446,
"density_atomic": 0.0717900506737431,
"volume": 306.44914989656644,
"volume_molar": 8.38854507481574,
"formula_full": "K2 Ti2 P2 C2 O14",
"formula_reduced": "KTiPCO7",
"formula_anonymous": "ABCDE7",
"energy_above_hull": 2.9529360303030296,
"spacegroup": 4
},
{
"id": "jvasp-13887",
"created_at": "2022-09-04T14:36:17.045101Z",
"updated_at": "2022-09-04T14:36:17.045126Z",
"structure_string": "Th6 Si4\n1.0\n9.495840 0.000000 -0.000000\n0.000000 9.495840 -0.000000\n0.000000 0.000000 3.398004\nTh Si\n6 4\ndirect\n0.793194 0.706806 0.499999 Th\n0.293194 0.793194 0.499999 Th\n0.206806 0.293194 0.499999 Th\n0.706806 0.206806 0.499999 Th\n0.500000 0.500000 0.000000 Th\n0.000000 0.000000 0.000000 Th\n0.084966 0.584966 0.499999 Si\n0.584966 0.915034 0.499999 Si\n0.415034 0.084966 0.499999 Si\n0.915034 0.415034 0.499999 Si\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Th",
"Si"
],
"chemical_system": "Si-Th",
"density": 8.154004314864261,
"density_atomic": 0.032636932817638,
"volume": 306.40134156833795,
"volume_molar": 18.4519200797737,
"formula_full": "Th6 Si4",
"formula_reduced": "Th3Si2",
"formula_anonymous": "A2B3",
"energy_above_hull": 3.5728148,
"spacegroup": 127
},
{
"id": "jvasp-116898",
"created_at": "2022-09-04T14:38:47.190258Z",
"updated_at": "2022-09-04T14:38:47.190273Z",
"structure_string": "Li3 V6 O3 F15\n1.0\n5.066576 -0.000211 0.000328\n-2.533039 4.387975 -0.000227\n-0.000738 -0.000079 13.782051\nLi V O F\n3 6 3 15\ndirect\n0.337484 0.662925 0.870292 Li\n0.992108 0.995872 0.203628 Li\n0.670436 0.341231 0.536962 Li\n0.029673 0.026606 0.507600 V\n0.692073 0.365779 0.330252 V\n0.663606 0.303666 0.840932 V\n0.967568 0.992964 0.996916 V\n0.306727 0.669724 0.174263 V\n0.340369 0.641267 0.663586 V\n-0.001276 0.615846 0.252408 O\n0.283804 0.334617 0.585740 O\n0.717495 0.049548 0.919074 O\n0.025700 0.313888 0.092618 F\n0.335734 0.310214 0.922103 F\n0.351471 0.352105 0.252484 F\n0.981258 0.666039 0.919149 F\n0.619263 0.616214 0.761186 F\n0.717123 0.669722 0.427854 F\n0.368873 0.970878 0.756408 F\n0.663600 0.714061 0.094504 F\n0.667302 0.981882 0.585821 F\n0.641127 -0.002399 0.255438 F\n0.023144 0.692207 0.588775 F\n0.362431 0.064672 0.423059 F\n0.268663 0.964432 0.089734 F\n0.019389 0.378442 0.759269 F\n0.954871 0.307610 0.425945 F\n",
"nsites": 27,
"nelements": 4,
"elements": [
"Li",
"V",
"O",
"F"
],
"chemical_system": "F-Li-O-V",
"density": 3.573932778283322,
"density_atomic": 0.08812145203926029,
"volume": 306.3953143664817,
"volume_molar": 6.8339100419237155,
"formula_full": "Li3 V6 O3 F15",
"formula_reduced": "LiV2OF5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 1.1304981458333332,
"spacegroup": 145
},
{
"id": "jvasp-85446",
"created_at": "2022-09-04T14:36:16.408132Z",
"updated_at": "2022-09-04T14:36:16.408153Z",
"structure_string": "Eu2 Mg6 Ge6\n1.0\n4.313592 -0.000000 -0.632238\n0.000000 4.488899 0.000000\n0.113637 -0.000000 15.806697\nEu Mg Ge\n2 6 6\ndirect\n0.949097 0.250000 0.898194 Eu\n0.050903 0.750000 0.101806 Eu\n0.147622 0.250000 0.295245 Mg\n0.353444 0.250000 0.706887 Mg\n0.852378 0.750000 0.704756 Mg\n0.750366 0.750000 0.500732 Mg\n0.646556 0.750000 0.293113 Mg\n0.249635 0.250000 0.499268 Mg\n0.518034 0.250000 0.036070 Ge\n0.596974 0.250000 0.193946 Ge\n0.801513 0.250000 0.603027 Ge\n0.481966 0.750000 0.963930 Ge\n0.198487 0.750000 0.396973 Ge\n0.403027 0.750000 0.806054 Ge\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Eu",
"Mg",
"Ge"
],
"chemical_system": "Eu-Ge-Mg",
"density": 4.799636183119855,
"density_atomic": 0.045693100686920875,
"volume": 306.39198893340455,
"volume_molar": 13.179540607809463,
"formula_full": "Eu2 Mg6 Ge6",
"formula_reduced": "Eu(MgGe)3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 0.1648135714285714,
"spacegroup": 63
},
{
"id": "jvasp-106923",
"created_at": "2022-09-04T14:36:50.618763Z",
"updated_at": "2022-09-04T14:36:50.618784Z",
"structure_string": "Rb2 Al1 Au1 Br6\n1.0\n6.553319 -0.000000 3.783560\n2.184440 6.178528 3.783560\n0.000000 -0.000000 7.567121\nRb Al Au Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Au\n0.762762 0.237238 0.237238 Br\n0.237238 0.237238 0.762762 Br\n0.237238 0.762762 0.762762 Br\n0.237238 0.762762 0.237238 Br\n0.762762 0.237238 0.762762 Br\n0.762762 0.762762 0.237238 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Al",
"Au",
"Br"
],
"chemical_system": "Al-Au-Br-Rb",
"density": 4.7384510429898175,
"density_atomic": 0.03263795906986328,
"volume": 306.391707232504,
"volume_molar": 18.451339886508492,
"formula_full": "Rb2 Al1 Au1 Br6",
"formula_reduced": "Rb2AlAuBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-42690",
"created_at": "2022-09-04T14:37:04.858359Z",
"updated_at": "2022-09-04T14:37:04.858384Z",
"structure_string": "Li3 V6 O3 F15\n1.0\n5.452978 -0.015795 -0.009259\n-0.637188 7.473283 0.009925\n-2.329105 -3.678548 7.518906\nLi V O F\n3 6 3 15\ndirect\n0.414170 0.277415 0.993061 Li\n0.901207 0.533430 0.649835 Li\n0.439865 0.790520 0.017446 Li\n0.646844 0.670781 0.325148 V\n0.667280 0.173670 0.344688 V\n0.019186 0.506315 0.014099 V\n0.357673 0.332889 0.656800 V\n0.006585 0.998493 0.989409 V\n0.326776 0.851634 0.672568 V\n0.228377 0.984855 0.863955 O\n0.571981 0.320538 0.531067 O\n0.365770 0.616834 0.133146 O\n0.304234 0.010164 0.190222 F\n0.718476 0.961427 0.422640 F\n0.747502 0.990611 0.120515 F\n0.621248 0.366089 0.233268 F\n0.947638 0.696233 0.538895 F\n0.424867 0.668704 0.472428 F\n0.626695 0.370574 0.885714 F\n0.037043 0.320922 0.473366 F\n0.374765 0.633986 0.766912 F\n0.945488 0.692262 0.896311 F\n0.278164 0.042008 0.572171 F\n0.061105 0.291285 0.093026 F\n0.103174 0.335663 0.796634 F\n0.699035 0.976366 0.794871 F\n0.906695 0.677518 0.208504 F\n",
"nsites": 27,
"nelements": 4,
"elements": [
"Li",
"V",
"O",
"F"
],
"chemical_system": "F-Li-O-V",
"density": 3.5744763368082655,
"density_atomic": 0.08813485440843113,
"volume": 306.34872186748777,
"volume_molar": 6.832870832341117,
"formula_full": "Li3 V6 O3 F15",
"formula_reduced": "LiV2OF5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 1.1331414791666663,
"spacegroup": 1
},
{
"id": "jvasp-42513",
"created_at": "2022-09-04T14:37:00.460885Z",
"updated_at": "2022-09-04T14:37:00.460911Z",
"structure_string": "Li4 Co8 O4 F12\n1.0\n0.000000 6.111826 -0.000236\n5.854989 0.000000 0.000000\n0.000000 -0.000361 -8.560499\nLi Co O F\n4 8 4 12\ndirect\n0.027184 0.000000 0.976134 Li\n0.989247 0.500000 0.763976 Li\n0.489246 0.500000 0.486029 Li\n0.527184 0.000000 0.273870 Li\n0.503399 0.258163 0.884671 Co\n0.503399 0.741837 0.884671 Co\n0.771283 0.000000 0.610695 Co\n0.271280 0.000000 0.639310 Co\n0.003398 0.741839 0.365334 Co\n0.003398 0.258161 0.365334 Co\n0.707332 0.500000 0.096680 Co\n0.207335 0.500000 0.153323 Co\n0.805466 0.000000 0.388168 O\n0.217292 0.500000 0.376834 O\n0.717291 0.500000 0.873172 O\n0.305465 0.000000 0.861835 O\n0.763056 0.000000 0.853251 F\n0.235406 0.500000 0.908309 F\n0.021737 0.754407 0.629419 F\n0.021737 0.245593 0.629419 F\n0.521738 0.245595 0.620585 F\n0.521738 0.754405 0.620585 F\n0.735406 0.500000 0.341696 F\n0.263055 0.000000 0.396754 F\n0.466738 0.747912 0.137096 F\n0.466738 0.252088 0.137096 F\n0.966737 0.252087 0.112909 F\n0.966737 0.747913 0.112909 F\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Co",
"O",
"F"
],
"chemical_system": "Co-F-Li-O",
"density": 4.288877279877544,
"density_atomic": 0.09140330188805591,
"volume": 306.3346664904114,
"volume_molar": 6.588537433117546,
"formula_full": "Li4 Co8 O4 F12",
"formula_reduced": "LiCo2OF3",
"formula_anonymous": "ABC2D3",
"energy_above_hull": 1.2449451639285711,
"spacegroup": 26
}
]
}