{"1": {
 "cell": {"__ndarray__": [[3, 3], "float64", [4.889310570000001, 0.0, 0.0, -2.444655290000001, 4.23426715, 0.0, 0.0, 0.0, 8.98173011]]},
 "ctime": 22.64288076051845,
 "data": {"frequencies_thz": {"__ndarray__": [[18], "float64", [-1.729509860497466e-07, -5.3198295694629905e-08, 3.5663713877654563e-08, 1.9391426749181544, 1.9391426795706563, 1.9847087552858387, 2.2720351667064587, 2.2720351721576533, 2.4623604427484094, 2.6810280299377243, 2.6810280355327247, 3.340610328497689, 6.050093126179834, 6.200527038991459, 9.882774714949909, 9.882774738661238, 9.950007863992612, 9.950007886904435]]}, "frequencies_cm": {"__ndarray__": [[18], "float64", [5.7690236793406785e-06, 1.7745040636808607e-06, 1.1896133959839971e-06, 64.68283451130544, 64.6828346664962, 66.2027552855085, 75.78693233500366, 75.78693251683593, 82.1354999225122, 89.42946520835683, 89.42946539498595, 111.43076156275806, 201.80937561760072, 206.8273106118338, 329.6538669732486, 329.6538677641734, 331.8965233334294, 331.89652409768553]]}, "Ramanactive": {"__ndarray__": [[18], "int64", [-1, -1, -1, 0, 0, 0, 1, 1, 0, 0, 0, 0, 0, 0, 1, 1, 0, 0]]}, "IRactive": {"__ndarray__": [[18], "int64", [-1, -1, -1, 0, 0, 1, 0, 0, 0, 1, 1, 0, 0, 1, 0, 0, 1, 1]]}, "IRlabels": [null, "E2u", "A2u", "E2g", "B2g", "E1u", "B1u", "B2g", "A2u", "E2g", "E1u"], "IRbands": [[0, 1, 2], [3, 4], [5], [6, 7], [8], [9, 10], [11], [12], [13], [14, 15], [16, 17]], "diel_mp": [[9.924200599099208, -1.1593236616848831e-06, 0.0], [-1.1593236616848831e-06, 9.924202400900901, 0.0], [0.0, 0.0, 11.478661999999993]], "pointgroup": "6/mmm", "tags": ["Lithium barium antimonide"], "icsd": ["icsd-280574"]},
 "key_value_pairs": {"file": "mp-10485-20180417.tar.lzma", "ramancalc": true, "ircalc": true, "band": "<a href=\"https://ramandb.oulu.fi/figs/phonon_yaml/mp-10485.yaml.tar.xz\" class=\"btn-down\" download>Download phonon results</a> <p><embed type=\"text/html\" src=\"https://ramandb.oulu.fi/figs/phband/mp-10485.html\" width=\"800\" height=\"650\"></p>", "irband": "<a target=\"_blank\" rel=\"noopener noreferrer\" href=\"https://ramandb.oulu.fi/figs/irtable/mp-10485.json\" class=\"btn-down\"> Browse IR peaks table </a><p><embed type=\"text/html\" src=\"https://ramandb.oulu.fi/figs/irband/mp-10485.html\" width=\"660\" height=\"500\"></p>", "raman": "<a href=\"https://ramandb.oulu.fi/figs/tensors_yaml/mp-10485.yaml\" class=\"btn-down\" download>Download tensors for Python</a><p>  </p><p><a href=\"https://ramandb.oulu.fi/figs/tensors_Matlab/mp-10485.dat\" class=\"btn-down\" download>Download tensors for MATLAB</a></p> <embed type=\"text/html\" src=\"https://ramandb.oulu.fi/figs/ramanint/mp-10485.html\" width=\"660\" height=\"500\"><table class=\"table table-striped\"> <thead> <tr> <th>Mode</th> <th>Frequency (THz)</th>     <th>Frequency (1/cm)</th> <th>Raman Activity</th> <th>IR Activity</th> <th>IR Labels</th> <th>Degeneracy</th> </tr> </thead> <tbody><tr> <td> Mode 0</td> <td>0.000</td> <td>0.000</td> <td>?</td> <td>?</td> <td>None</td> <td>3</td> </tr><tr> <td> Mode 1</td> <td>1.939</td> <td>64.683</td> <td> </td> <td> </td> <td>E2u</td> <td>2</td> </tr><tr> <td> Mode 2</td> <td>1.985</td> <td>66.203</td> <td> </td> <td>X</td> <td>A2u</td> <td>1</td> </tr><tr> <td> Mode 3</td> <td>2.272</td> <td>75.787</td> <td>X</td> <td> </td> <td>E2g</td> <td>2</td> </tr><tr> <td> Mode 4</td> <td>2.462</td> <td>82.135</td> <td> </td> <td> </td> <td>B2g</td> <td>1</td> </tr><tr> <td> Mode 5</td> <td>2.681</td> <td>89.429</td> <td> </td> <td>X</td> <td>E1u</td> <td>2</td> </tr><tr> <td> Mode 6</td> <td>3.341</td> <td>111.431</td> <td> </td> <td> </td> <td>B1u</td> <td>1</td> </tr><tr> <td> Mode 7</td> <td>6.050</td> <td>201.809</td> <td> </td> <td> </td> <td>B2g</td> <td>1</td> </tr><tr> <td> Mode 8</td> <td>6.201</td> <td>206.827</td> <td> </td> <td>X</td> <td>A2u</td> <td>1</td> </tr><tr> <td> Mode 9</td> <td>9.883</td> <td>329.654</td> <td>X</td> <td> </td> <td>E2g</td> <td>2</td> </tr><tr> <td> Mode 10</td> <td>9.950</td> <td>331.897</td> <td> </td> <td>X</td> <td>E1u</td> <td>2</td> </tr></tbody> </table>", "mpid": "mp-10485", "Refs": "<a target=\"_blank\" rel=\"noopener noreferrer\" href=\"https://mdr.nims.go.jp/concern/datasets/6108vh17z?locale=en\"> Phonon Database </a>  ,  <a target=\"_blank\" rel=\"noopener noreferrer\" href=\"http://materialsproject.org/materials/mp-10485\"> Materials Project </a>", "bandgap_mp": 0.695, "pointgroup": "6/mmm", "IRlabels": "[None, 'E2u', 'A2u', 'E2g', 'B2g', 'E1u', 'B1u', 'B2g', 'A2u', 'E2g', 'E1u']", "IRbands": "[[0, 1, 2], [3, 4], [5], [6, 7], [8], [9, 10], [11], [12], [13], [14, 15], [16, 17]]", "diel_mp": "<table class=\"table table-striped\"> <thead> <tr> <th> </th> <th> </th> <th> </th> </tr> </thead> <tbody><tr> <td>9.924</td><td>-0.000</td><td>0.000</td> </tr><tr> <td>-0.000</td><td>9.924</td><td>0.000</td> </tr><tr> <td>0.000</td><td>0.000</td><td>11.479</td> </tr></tbody> </table>", "diel": "<table class=\"table table-striped\"> <thead> <tr> <th> </th> <th> </th> <th> </th> </tr> </thead> <tbody><tr> <td>12.282</td><td>-0.000</td><td>0.000</td> </tr><tr> <td>0.000</td><td>12.282</td><td>0.000</td> </tr><tr> <td>0.000</td><td>0.000</td><td>18.228</td> </tr></tbody> </table>", "born": "<table class=\"table table-striped\"> <thead> <tr> <th>Z<sup>Li</sup><sub>ij</sub></th> <th>U<sub>x</sub></th> <th>U<sub>y</sub></th> <th>U<sub>z</sub></th> </tr> </thead> <tbody><tr> <td><b>P<sub>x</sub></b></td><td>0.97</td><td>-0.00</td><td>0.00</td> </tr><tr> <td><b>P<sub>y</sub></b></td><td>0.00</td><td>0.97</td><td>0.00</td> </tr><tr> <td><b>P<sub>z</sub></b></td><td>0.00</td><td>0.00</td><td>0.84</td> </tr><table class=\"table table-striped\"> <thead> <tr> <th>Z<sup>Sb</sup><sub>ij</sub></th> <th>U<sub>x</sub></th> <th>U<sub>y</sub></th> <th>U<sub>z</sub></th> </tr> </thead> <tbody><tr> <td><b>P<sub>x</sub></b></td><td>-3.87</td><td>0.00</td><td>0.00</td> </tr><tr> <td><b>P<sub>y</sub></b></td><td>-0.00</td><td>-3.87</td><td>0.00</td> </tr><tr> <td><b>P<sub>z</sub></b></td><td>0.00</td><td>0.00</td><td>-4.64</td> </tr><table class=\"table table-striped\"> <thead> <tr> <th>Z<sup>Ba</sup><sub>ij</sub></th> <th>U<sub>x</sub></th> <th>U<sub>y</sub></th> <th>U<sub>z</sub></th> </tr> </thead> <tbody><tr> <td><b>P<sub>x</sub></b></td><td>2.89</td><td>-0.00</td><td>0.00</td> </tr><tr> <td><b>P<sub>y</sub></b></td><td>-0.00</td><td>2.89</td><td>0.00</td> </tr><tr> <td><b>P<sub>z</sub></b></td><td>0.00</td><td>0.00</td><td>3.80</td> </tr></tbody> </table>", "spacegroup": "P6_3/mmc (194)", "dimensionality": "3D", "mp_e_above_hull": 0.0, "negative_freq_Gamma": false, "negative_freq_path": false, "f_min": 1.1896133959839971e-06, "f_max": 331.89652409768553, "bandgap": 0.5459, "cbm": 3.7591, "vbm": 3.2132, "pretty": "BaLiSb", "exp_obs": true, "nspecies": 3, "stoichiometry": "ABC", "dimensionality_fcdimen": "['3D', '3D', '3D']", "sc_size": "[3, 3, 2]"},
 "mtime": 25.36040725412638,
 "numbers": {"__ndarray__": [[6], "int32", [3, 3, 51, 51, 56, 56]]},
 "pbc": {"__ndarray__": [[3], "bool", [true, true, true]]},
 "positions": {"__ndarray__": [[6, 3], "float64", [2.444655307779886, 1.4114223692191092, 2.2454325275, -2.7779886422120045e-08, 2.82284478078089, 6.736297582500001, 2.444655307779886, 1.4114223692191092, 6.736297582500001, -2.7779886422120045e-08, 2.82284478078089, 2.2454325275, 0.0, 0.0, 4.490865055, 0.0, 0.0, 0.0]]},
 "unique_id": "860dcd7a08e1b7740a2d97f33f20cb80",
 "user": "mohammad"},
"ids": [1],
"nextid": 2}