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=-nsites&page=238",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nsites&page=236",
"results": [
{
"id": "jvasp-45762",
"created_at": "2022-09-04T14:38:03.817760Z",
"updated_at": "2022-09-04T14:38:03.817787Z",
"structure_string": "Li4 V4 C4 O16\n1.0\n0.000000 3.100940 -0.011199\n9.305762 0.000000 0.000000\n0.000000 -0.209092 -9.197586\nLi V C O\n4 4 4 16\ndirect\n0.737760 0.186283 0.402436 Li\n0.737760 0.313717 0.902436 Li\n0.262240 0.686283 0.097565 Li\n0.262241 0.813717 0.597565 Li\n0.775437 0.562293 0.386893 V\n0.775438 0.937706 0.886893 V\n0.224563 0.062293 0.113107 V\n0.224563 0.437707 0.613108 V\n0.250900 0.129967 0.664785 C\n0.250900 0.370033 0.164785 C\n0.749101 0.629967 0.835216 C\n0.749101 0.870033 0.335215 C\n0.263953 0.006833 0.740722 O\n0.271989 0.616867 0.503645 O\n0.247266 0.126383 0.528955 O\n0.239679 0.249882 0.238411 O\n0.263953 0.493167 0.240722 O\n0.247265 0.373617 0.028955 O\n0.752735 0.626383 0.971046 O\n0.760321 0.749882 0.261589 O\n0.760322 0.750118 0.761590 O\n0.752735 0.873616 0.471046 O\n0.728012 0.383133 0.496356 O\n0.736048 0.993167 0.259279 O\n0.239679 0.250118 0.738411 O\n0.728012 0.116867 -0.003644 O\n0.736048 0.506833 0.759279 O\n0.271989 0.883133 0.003644 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"V",
"C",
"O"
],
"chemical_system": "C-Li-O-V",
"density": 3.35046441095359,
"density_atomic": 0.10548803809353602,
"volume": 265.4329391847487,
"volume_molar": 5.70883757896813,
"formula_full": "Li4 V4 C4 O16",
"formula_reduced": "LiVCO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 3.091941171428572,
"spacegroup": 14
},
{
"id": "jvasp-40678",
"created_at": "2022-09-04T14:37:53.684467Z",
"updated_at": "2022-09-04T14:37:53.684493Z",
"structure_string": "Li4 Mn2 Sn2 P4 O16\n1.0\n0.000000 4.828883 -0.029022\n6.354854 0.000000 0.000000\n0.000000 -0.053279 -11.069897\nLi Mn Sn P O\n4 2 2 4 16\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.000000 0.500000 Li\n0.500000 0.500000 0.500000 Li\n0.564987 0.250000 0.208162 Mn\n0.435012 0.750000 0.791838 Mn\n0.026976 0.750000 0.279745 Sn\n0.973023 0.250000 0.720255 Sn\n0.413713 0.250000 0.925555 P\n0.853200 0.750000 0.606268 P\n0.146799 0.250000 0.393732 P\n0.586286 0.750000 0.074445 P\n0.288566 0.052104 0.859382 O\n0.288566 0.447896 0.859382 O\n0.708580 0.555984 0.667416 O\n0.708580 0.944015 0.667416 O\n0.168304 0.750000 0.621250 O\n0.249941 0.250000 0.526720 O\n0.750058 0.750000 0.473280 O\n0.267793 0.750000 0.076434 O\n0.291419 0.055985 0.332584 O\n0.291419 0.444015 0.332584 O\n0.711434 0.552104 0.140618 O\n0.711434 0.947895 0.140618 O\n0.732206 0.250000 0.923566 O\n0.286913 0.250000 0.054725 O\n0.831695 0.250000 0.378751 O\n0.713086 0.750000 0.945275 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Mn",
"Sn",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P-Sn",
"density": 3.690254491815016,
"density_atomic": 0.08242322983742711,
"volume": 339.71005571157116,
"volume_molar": 7.306363475294727,
"formula_full": "Li4 Mn2 Sn2 P4 O16",
"formula_reduced": "Li2MnSn(PO4)2",
"formula_anonymous": "ABC2D2E8",
"energy_above_hull": 2.6078341386699506,
"spacegroup": 11
},
{
"id": "jvasp-43199",
"created_at": "2022-09-04T14:37:46.393527Z",
"updated_at": "2022-09-04T14:37:46.393550Z",
"structure_string": "Li4 Mn4 V4 O16\n1.0\n4.931920 0.000000 0.000000\n-0.000000 6.162467 0.000000\n0.000000 0.000000 10.478681\nLi Mn V O\n4 4 4 16\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.977085 0.250000 0.728616 Mn\n0.522915 0.250000 0.228616 Mn\n0.477085 0.750000 0.771384 Mn\n0.022915 0.750000 0.271384 Mn\n0.574641 0.750000 0.088977 V\n0.925360 0.750000 0.588977 V\n0.074641 0.250000 0.411023 V\n0.425360 0.250000 0.911022 V\n0.220497 0.750000 0.093990 O\n0.279503 0.750000 0.593990 O\n0.709639 0.750000 0.936083 O\n0.790361 0.750000 0.436083 O\n0.775078 0.526079 0.664034 O\n0.724922 0.526079 0.164034 O\n0.224922 0.473922 0.335966 O\n0.224922 0.026079 0.335966 O\n0.290361 0.250000 0.063917 O\n0.720497 0.250000 0.406009 O\n0.779503 0.250000 0.906009 O\n0.209639 0.250000 0.563917 O\n0.775078 0.973922 0.664034 O\n0.275078 0.026079 0.835966 O\n0.275078 0.473922 0.835966 O\n0.724922 0.973922 0.164034 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"V",
"O"
],
"chemical_system": "Li-Mn-O-V",
"density": 3.6877262051980333,
"density_atomic": 0.08791860365802655,
"volume": 318.4763956091759,
"volume_molar": 6.849677439628225,
"formula_full": "Li4 Mn4 V4 O16",
"formula_reduced": "LiMnVO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.7634236344827587,
"spacegroup": 62
},
{
"id": "jvasp-20197",
"created_at": "2022-09-04T14:37:45.866472Z",
"updated_at": "2022-09-04T14:37:45.866491Z",
"structure_string": "Al20 Rh8\n1.0\n3.985795 -6.903600 -0.000000\n3.985795 6.903600 0.000000\n-0.000000 -0.000000 7.901475\nAl Rh\n20 8\ndirect\n0.000000 0.000000 0.000000 Al\n0.192474 0.384948 0.441374 Al\n0.192475 0.807526 0.441374 Al\n0.615054 0.807527 0.441374 Al\n0.384948 0.192474 0.941374 Al\n0.807526 0.192475 0.558626 Al\n0.807527 0.615054 0.941374 Al\n0.192474 0.384948 0.058626 Al\n0.615054 0.807527 0.058626 Al\n0.384948 0.192474 0.558626 Al\n0.807526 0.192475 0.941374 Al\n0.192475 0.807526 0.058626 Al\n0.807527 0.615054 0.558626 Al\n0.471623 0.528378 0.750000 Al\n0.528378 0.056757 0.250000 Al\n0.943244 0.471623 0.250000 Al\n0.000000 0.000000 0.500000 Al\n0.471623 0.943244 0.750000 Al\n0.528378 0.471623 0.250000 Al\n0.056757 0.528378 0.750000 Al\n0.130678 0.261356 0.750000 Rh\n0.333334 0.666668 0.250000 Rh\n0.666668 0.333334 0.750000 Rh\n0.130678 0.869323 0.750000 Rh\n0.869324 0.738645 0.250000 Rh\n0.261356 0.130678 0.250000 Rh\n0.738645 0.869324 0.750000 Rh\n0.869323 0.130678 0.250000 Rh\n",
"nsites": 28,
"nelements": 2,
"elements": [
"Al",
"Rh"
],
"chemical_system": "Al-Rh",
"density": 5.204467559014638,
"density_atomic": 0.06439161047864675,
"volume": 434.8392561059679,
"volume_molar": 9.352368600870815,
"formula_full": "Al20 Rh8",
"formula_reduced": "Al5Rh2",
"formula_anonymous": "A2B5",
"energy_above_hull": 2.212998571428572,
"spacegroup": 194
},
{
"id": "jvasp-22208",
"created_at": "2022-09-04T14:37:35.273072Z",
"updated_at": "2022-09-04T14:37:35.273089Z",
"structure_string": "Mn12 W12 C4\n1.0\n6.809264 -0.000000 3.931330\n2.269755 6.419836 3.931330\n-0.000000 0.000000 7.862660\nMn W C\n12 12 4\ndirect\n0.499999 0.500000 0.000000 Mn\n0.297045 0.608863 0.297046 Mn\n0.499999 0.500000 0.500000 Mn\n-0.000000 0.500000 0.500000 Mn\n0.297045 0.297046 0.297046 Mn\n0.702954 0.702955 0.391137 Mn\n0.391136 0.702955 0.702955 Mn\n0.702954 0.391137 0.702955 Mn\n0.608862 0.297046 0.297046 Mn\n0.297045 0.297046 0.608863 Mn\n0.500000 0.000000 0.500000 Mn\n0.702954 0.702955 0.702955 Mn\n0.676378 0.676379 0.073622 W\n0.073621 0.676379 0.676379 W\n0.323620 0.926379 0.926379 W\n0.926378 0.323622 0.323622 W\n0.926377 0.926379 0.323622 W\n0.676378 0.073621 0.676379 W\n0.073621 0.073621 0.676379 W\n0.323621 0.323622 0.926379 W\n0.323620 0.926379 0.323622 W\n0.926378 0.323622 0.926379 W\n0.676378 0.073621 0.073622 W\n0.073621 0.676379 0.073621 W\n0.000000 0.000000 0.000000 C\n0.500000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n-0.000000 0.500000 0.000000 C\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Mn",
"W",
"C"
],
"chemical_system": "C-Mn-W",
"density": 14.075133775250888,
"density_atomic": 0.08146375581530443,
"volume": 343.71113533584094,
"volume_molar": 7.392417277756587,
"formula_full": "Mn12 W12 C4",
"formula_reduced": "Mn3W3C",
"formula_anonymous": "AB3C3",
"energy_above_hull": 6.936011674876847,
"spacegroup": 227
},
{
"id": "jvasp-57070",
"created_at": "2022-09-04T14:37:45.486096Z",
"updated_at": "2022-09-04T14:37:45.486131Z",
"structure_string": "Pr6 Nb2 Cl12 O8\n1.0\n6.393231 -11.073400 -0.000000\n6.393231 11.073400 -0.000000\n-0.000000 -0.000000 4.006281\nPr Nb Cl O\n6 2 12 8\ndirect\n0.886962 0.281184 0.250000 Pr\n0.394221 0.113037 0.250000 Pr\n0.113037 0.718816 0.750000 Pr\n0.605779 0.886962 0.750000 Pr\n0.281184 0.394221 0.750000 Pr\n0.718816 0.605779 0.250000 Pr\n0.666667 0.333333 0.750000 Nb\n0.333333 0.666667 0.250000 Nb\n0.627545 0.072470 0.250000 Cl\n0.372455 0.927530 0.750000 Cl\n0.244725 0.144685 0.750000 Cl\n0.899960 0.755275 0.750000 Cl\n0.755275 0.855315 0.250000 Cl\n0.555075 0.627545 0.750000 Cl\n0.855315 0.100040 0.750000 Cl\n0.444925 0.372455 0.250000 Cl\n0.072470 0.444925 0.750000 Cl\n0.100040 0.244725 0.250000 Cl\n0.144685 0.899960 0.250000 Cl\n0.927530 0.555075 0.250000 Cl\n0.693205 0.494596 0.750000 O\n0.666667 0.333333 0.250000 O\n0.306795 0.505403 0.250000 O\n0.801391 0.306795 0.750000 O\n0.494596 0.801391 0.250000 O\n0.198609 0.693205 0.250000 O\n0.505403 0.198609 0.750000 O\n0.333333 0.666667 0.750000 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Pr",
"Nb",
"Cl",
"O"
],
"chemical_system": "Cl-Nb-O-Pr",
"density": 4.63895958308172,
"density_atomic": 0.0493611470934667,
"volume": 567.2477575730002,
"volume_molar": 12.200163721067725,
"formula_full": "Pr6 Nb2 Cl12 O8",
"formula_reduced": "Pr3Nb(Cl3O2)2",
"formula_anonymous": "AB3C4D6",
"energy_above_hull": 1.6386655253571427,
"spacegroup": 176
},
{
"id": "jvasp-29366",
"created_at": "2022-09-04T14:37:59.473695Z",
"updated_at": "2022-09-04T14:37:59.473715Z",
"structure_string": "V8 O20\n1.0\n11.735801 0.000000 0.000000\n0.000000 8.581358 0.000000\n0.000000 -0.000000 3.563978\nV O\n8 20\ndirect\n0.852165 0.944629 0.600048 V\n0.647835 0.555371 0.099956 V\n0.647835 0.055371 0.100048 V\n0.352165 0.555371 0.099956 V\n0.352165 0.055371 0.100048 V\n0.147835 0.944629 0.600048 V\n0.147835 0.444629 0.599957 V\n0.852166 0.444629 0.599957 V\n0.681808 0.502062 0.599955 O\n0.853913 0.256939 0.599969 O\n0.818192 0.497939 0.099955 O\n0.818193 0.997940 0.100048 O\n0.681807 0.002060 0.600048 O\n0.853913 0.756937 0.600032 O\n0.000000 0.996280 0.600066 O\n0.500000 0.003720 0.100066 O\n0.500000 0.503717 0.099932 O\n0.353913 0.243064 0.100031 O\n0.353913 0.743061 0.099969 O\n0.318192 0.502062 0.599955 O\n0.318193 0.002060 0.600048 O\n0.181808 0.497939 0.099955 O\n0.181807 0.997940 0.100048 O\n0.146087 0.756937 0.600032 O\n0.146088 0.256939 0.599969 O\n0.000000 0.496283 0.599932 O\n0.646087 0.243064 0.100031 O\n0.646088 0.743061 0.099969 O\n",
"nsites": 28,
"nelements": 2,
"elements": [
"V",
"O"
],
"chemical_system": "O-V",
"density": 3.365815163772183,
"density_atomic": 0.0780107152340458,
"volume": 358.925051718794,
"volume_molar": 7.719632799074491,
"formula_full": "V8 O20",
"formula_reduced": "V2O5",
"formula_anonymous": "A2B5",
"energy_above_hull": 3.0429222714285715,
"spacegroup": 59
},
{
"id": "jvasp-30084",
"created_at": "2022-09-04T14:38:01.087327Z",
"updated_at": "2022-09-04T14:38:01.087351Z",
"structure_string": "Sn4 H4 C8 O12\n1.0\n5.426672 3.957825 -3.282686\n-5.426672 3.957825 3.282686\n0.090097 0.000000 8.269730\nSn H C O\n4 4 8 12\ndirect\n0.806613 0.193386 0.158124 Sn\n0.193386 0.806613 0.841876 Sn\n0.712529 0.712529 -0.000000 Sn\n0.287470 0.287470 -0.000000 Sn\n0.986774 0.221812 0.544314 H\n0.778187 0.013224 0.544314 H\n0.013225 0.778187 0.455687 H\n0.221812 0.986774 0.455687 H\n0.521960 0.292530 0.472680 C\n0.707469 0.478039 0.472680 C\n0.292530 0.521960 0.527321 C\n0.478039 0.707469 0.527321 C\n0.776259 0.408610 0.679048 C\n0.408610 0.776259 0.320952 C\n0.223740 0.591388 0.320952 C\n0.591389 0.223739 0.679048 C\n0.616998 0.383001 0.046478 O\n0.070160 0.527303 0.191398 O\n0.472696 0.929839 0.191398 O\n0.929839 0.472696 0.808602 O\n0.527303 0.070160 0.808602 O\n0.219047 0.364825 0.650159 O\n0.635174 0.780952 0.650159 O\n0.780953 0.635174 0.349841 O\n0.364825 0.219046 0.349841 O\n0.846044 0.153955 0.465501 O\n0.153956 0.846043 0.534500 O\n0.383001 0.616997 0.953523 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Sn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Sn",
"density": 3.561655825897835,
"density_atomic": 0.078305765844029,
"volume": 357.5726474059517,
"volume_molar": 7.6905457664446075,
"formula_full": "Sn4 H4 C8 O12",
"formula_reduced": "SnHC2O3",
"formula_anonymous": "ABC2D3",
"energy_above_hull": 3.5059446000000007,
"spacegroup": 12
},
{
"id": "jvasp-22434",
"created_at": "2022-09-04T14:37:46.337495Z",
"updated_at": "2022-09-04T14:37:46.337523Z",
"structure_string": "Li4 Mg4 P4 O16\n1.0\n4.705183 -0.000000 0.000000\n0.000000 5.913614 0.000000\n0.000000 0.000000 10.169455\nLi Mg P O\n4 4 4 16\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.018774 0.749999 0.277308 Mg\n0.981225 0.250000 0.722691 Mg\n0.481226 0.749999 0.777308 Mg\n0.518774 0.250000 0.222691 Mg\n0.583279 0.749999 0.093844 P\n0.916720 0.749999 0.593844 P\n0.416720 0.250000 0.906156 P\n0.083279 0.250000 0.406156 P\n0.297859 0.250000 0.048322 O\n0.702140 0.749999 0.951677 O\n0.242454 0.749999 0.599818 O\n0.797858 0.749999 0.451678 O\n0.757545 0.250000 0.400182 O\n0.257545 0.749999 0.099818 O\n0.221396 0.042752 0.334542 O\n0.221396 0.457248 0.334542 O\n0.742454 0.250000 0.900182 O\n0.278603 0.042752 0.834542 O\n0.778603 0.957248 0.665457 O\n0.721396 0.542751 0.165458 O\n0.202141 0.250000 0.548322 O\n0.778603 0.542751 0.665457 O\n0.278603 0.457248 0.834542 O\n0.721396 0.957248 0.165458 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mg",
"P",
"O"
],
"chemical_system": "Li-Mg-O-P",
"density": 2.962790996938271,
"density_atomic": 0.09895343164066646,
"volume": 282.9613843173981,
"volume_molar": 6.085833164299385,
"formula_full": "Li4 Mg4 P4 O16",
"formula_reduced": "LiMgPO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.6411597928571426,
"spacegroup": 62
},
{
"id": "jvasp-23973",
"created_at": "2022-09-04T14:37:39.854786Z",
"updated_at": "2022-09-04T14:37:39.854805Z",
"structure_string": "H16 O4 F8\n1.0\n0.000000 3.381931 0.024882\n6.022140 0.000000 0.000000\n0.000000 -1.418091 -11.130511\nH O F\n16 4 8\ndirect\n0.176995 0.911894 0.308246 H\n0.444238 0.864616 0.120435 H\n0.555762 0.364616 0.379565 H\n0.444238 0.635384 0.620435 H\n0.243449 0.689940 0.950829 H\n0.756551 0.189940 0.549171 H\n0.756551 0.310060 0.049171 H\n0.243449 0.810060 0.450829 H\n0.555763 0.135384 0.879565 H\n0.103016 0.302430 0.653428 H\n0.103016 0.197570 0.153428 H\n0.896984 0.697570 0.346572 H\n0.176995 0.588106 0.808246 H\n0.823005 0.088106 0.691754 H\n0.823005 0.411894 0.191754 H\n0.896984 0.802430 0.846572 H\n0.045054 0.658754 0.876414 O\n0.954946 0.158754 0.623586 O\n0.045054 0.841246 0.376414 O\n0.954946 0.341246 0.123587 O\n0.451013 0.239641 0.941963 F\n0.326910 0.002412 0.199839 F\n0.673090 0.502412 0.300161 F\n0.673090 -0.002412 0.800161 F\n0.326910 0.497588 0.699839 F\n0.548987 0.760359 0.058037 F\n0.451013 0.260359 0.441963 F\n0.548987 0.739641 0.558037 F\n",
"nsites": 28,
"nelements": 3,
"elements": [
"H",
"O",
"F"
],
"chemical_system": "F-H-O",
"density": 1.7018568632666125,
"density_atomic": 0.12363306102785936,
"volume": 226.47663794145245,
"volume_molar": 4.870979259053511,
"formula_full": "H16 O4 F8",
"formula_reduced": "H4OF2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.8262120092857144,
"spacegroup": 14
},
{
"id": "jvasp-45779",
"created_at": "2022-09-04T14:38:00.261274Z",
"updated_at": "2022-09-04T14:38:00.261301Z",
"structure_string": "Li8 V4 O4 F12\n1.0\n0.000000 4.918869 -0.000302\n11.423305 0.000000 0.000000\n0.000000 -0.000344 -5.033124\nLi V O F\n8 4 4 12\ndirect\n0.000000 0.789216 0.000000 Li\n0.000000 0.654014 0.500000 Li\n0.000000 0.362916 0.000000 Li\n0.000000 0.222733 0.500000 Li\n0.500001 0.722726 0.499999 Li\n0.500000 0.289215 -0.000000 Li\n0.500001 0.154019 0.499999 Li\n0.500000 0.862910 -0.000000 Li\n0.000000 0.931518 0.500000 V\n0.000000 0.052971 0.000000 V\n0.500001 0.431521 0.499999 V\n0.500000 0.552973 -0.000000 V\n0.792281 0.938381 0.177817 O\n0.707724 0.438382 0.177812 O\n0.292277 0.438382 0.822187 O\n0.207720 0.938381 0.822182 O\n0.231549 0.062531 0.334697 F\n0.224852 0.803849 0.326358 F\n0.219694 0.188555 0.818262 F\n0.280307 0.688552 0.818263 F\n0.275153 0.303850 0.326353 F\n0.268450 0.562529 0.334701 F\n0.731551 0.562529 0.665297 F\n0.719694 0.688552 0.181736 F\n0.724848 0.303850 0.673646 F\n0.775149 0.803849 0.673641 F\n0.780307 0.188555 0.181737 F\n0.768452 0.062531 0.665302 F\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"V",
"O",
"F"
],
"chemical_system": "F-Li-O-V",
"density": 3.236836154054362,
"density_atomic": 0.09900642303147705,
"volume": 282.8099343726212,
"volume_molar": 6.082575832565312,
"formula_full": "Li8 V4 O4 F12",
"formula_reduced": "Li2VOF3",
"formula_anonymous": "ABC2D3",
"energy_above_hull": 0.8502140782142857,
"spacegroup": 30
},
{
"id": "jvasp-57187",
"created_at": "2022-09-04T14:37:53.562290Z",
"updated_at": "2022-09-04T14:37:53.562302Z",
"structure_string": "Ag12 B4 O12\n1.0\n7.295377 0.017744 0.576540\n0.534168 7.275818 0.576540\n0.019047 0.017744 7.318099\nAg B O\n12 4 12\ndirect\n0.371168 0.874255 0.383219 Ag\n0.883219 0.374254 0.871168 Ag\n0.871168 0.883218 0.374255 Ag\n0.616782 0.628832 0.125745 Ag\n0.625745 0.128832 0.116781 Ag\n0.874256 0.383218 0.371167 Ag\n0.125746 0.616781 0.628833 Ag\n0.628833 0.125744 0.616782 Ag\n0.116782 0.625745 0.128833 Ag\n0.374256 0.871167 0.883219 Ag\n0.128833 0.116781 0.625745 Ag\n0.383219 0.371167 0.874255 Ag\n0.874648 0.874647 0.874648 B\n0.125353 0.125352 0.125353 B\n0.374648 0.374647 0.374648 B\n0.625353 0.625352 0.625353 B\n0.981905 0.132295 0.260631 O\n0.260631 0.981904 0.132296 O\n0.760631 0.632295 0.481904 O\n0.239370 0.367704 0.518096 O\n0.739370 0.018095 0.867704 O\n0.518096 0.239369 0.367704 O\n0.481905 0.760630 0.632296 O\n0.867705 0.739369 0.018096 O\n0.367704 0.518095 0.239369 O\n0.018096 0.867704 0.739369 O\n0.632297 0.481904 0.760631 O\n0.132296 0.260630 0.981904 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Ag",
"B",
"O"
],
"chemical_system": "Ag-B-O",
"density": 6.542727925953681,
"density_atomic": 0.07212307708734492,
"volume": 388.22525508847184,
"volume_molar": 8.349811188320299,
"formula_full": "Ag12 B4 O12",
"formula_reduced": "Ag3BO3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 1.6297406947619049,
"spacegroup": 167
}
]
}