Version 1.0.0 : all initial requirements are covered

Author: phbillet

LICENSE

@@ -0,0 +1,83 @@
+name,experimental_band_gap,phonon_cutoff_frequency,mean_phonon_frequency,electronic_contribution_of_dielectric_constant,total_dielectric_constant,nearest_neighbor_distance,density,bulk_modulus,structure,category,log_breakdown_field
+LiF,13.6,19.599,10.435,2.068,7.936,1.943,2.938,86.582,RS,Alkali_metal_halides,8.482518927482216
+LiCl,9.4,12.531,6.301,3.15,10.003,2.477,2.317,40.537,RS,Alkali_metal_halides,6.521798637262015
+LiBr,7.6,11.188,4.934,3.664,11.287,2.653,3.862,32.869,RS,Alkali_metal_halides,6.171909343889077
+LiI,6.1,9.701,4.113,4.465,12.667,2.897,4.569,25.476,RS,Alkali_metal_halides,5.944110850724512
+NaF,11.5,12.275,7.416,1.821,4.17,2.227,3.156,61.943,RS,Alkali_metal_halides,6.968568118378649
+NaCl,8.5,7.281,4.46,2.604,5.186,2.721,2.408,31.965,RS,Alkali_metal_halides,5.66608060747219
+NaBr,7.1,6.357,3.589,3.003,5.728,2.886,3.554,26.127,RS,Alkali_metal_halides,5.18850250054083
+NaI,5.9,5.439,2.92,3.582,6.659,3.125,4.078,20.181,RS,Alkali_metal_halides,4.750135956238277
+KF,10.9,11.446,6.984,2.087,5.475,2.458,3.25,64.486,RS,Alkali_metal_halides,6.282453645317259
+KCl,8.5,6.938,4.439,2.505,4.646,2.916,2.497,30.805,RS,Alkali_metal_halides,5.491001710377538
+KBr,7.4,5.422,3.363,2.758,4.826,3.068,3.423,24.694,RS,Alkali_metal_halides,5.23750522715128
+KI,6.2,4.595,2.72,3.121,5.017,3.296,3.848,18.896,RS,Alkali_metal_halides,5.630853294633443
+RbF,10.4,10.795,6.025,2.22,5.949,2.537,5.313,67.228,RS,Alkali_metal_halides,6.416895667857024
+RbCl,8.2,5.948,3.663,2.513,4.78,3.005,3.701,28.977,RS,Alkali_metal_halides,5.614951260949585
+RbBr,7.2,4.218,2.708,2.724,4.798,3.152,4.383,23.829,RS,Alkali_metal_halides,5.042779747422823
+RbI,6.1,3.439,2.185,3.03,4.871,3.379,4.572,18.317,RS,Alkali_metal_halides,4.699570861409576
+CsF,10.0,10.611,5.878,2.514,8.271,2.848,5.459,63.041,RS,Alkali_metal_halides,5.865050622252324
+CsCl,8.3,6.388,3.771,3.14,7.207,3.253,5.276,41.1,CC,Alkali_metal_halides,5.852777027334088
+CsBr,7.3,4.155,2.62,3.366,6.933,3.388,5.903,32.35,CC,Alkali_metal_halides,5.34185566856252
+CsI,6.2,3.131,2.037,3.698,7.071,3.604,5.986,23.827,CC,Alkali_metal_halides,4.623991940228679
+CuCl,3.4,8.465,4.724,5.481,7.202,2.275,4.533,70.639,ZB,Transition_metal_halides,5.201806466167193
+CuBr,2.9,5.763,3.819,6.541,8.14,2.401,5.588,60.827,ZB,Transition_metal_halides,4.765586907393996
+CuI,3.0,5.063,3.218,6.69,7.588,2.547,6.214,54.31,ZB,Transition_metal_halides,4.519612297626445
+AgF,5.0,7.844,3.769,5.253,9.901,2.424,7.398,90.178,RS,Transition_metal_halides,5.291796149557771
+AgCl,5.6,6.282,3.217,5.722,10.764,2.708,5.993,65.7,RS,Transition_metal_halides,5.344723739362192
+AgBr,4.8,4.345,2.559,6.8,12.397,2.823,6.93,59.375,RS,Transition_metal_halides,4.6210435351443815
+AgI,2.8,4.041,2.598,5.827,7.151,2.775,5.927,38.94,ZB,Transition_metal_halides,4.523960130562548
+TICl,3.4,5.956,2.468,6.293,33.041,3.022,9.374,43.934,CC,Post-_transition_metal_halides,5.542047551470635
+TlBr,3.0,3.828,1.805,7.146,34.149,3.178,9.556,37.69,CC,Post-_transition_metal_halides,4.570578741218473
+TlI,2.8,2.914,1.415,8.203,38.088,3.388,9.184,31.069,CC,Post-_transition_metal_halides,4.950177325059141
+BeS,7.4,20.29,12.47,5.412,7.141,2.063,2.522,99.251,ZB,Alkaline_earth_metal_chalcogenides,6.173369350405594
+BeSe,5.5,18.632,10.059,6.111,7.607,2.191,4.509,81.905,ZB,Alkaline_earth_metal_chalcogenides,6.23988590560646
+BeTe,2.8,16.73,8.844,7.498,8.395,2.384,5.438,62.557,ZB,Alkaline_earth_metal_chalcogenides,5.847016642742108
+MgO,7.8,20.642,12.255,3.09,9.35,2.067,3.79,171.1,RS,Alkaline_earth_metal_chalcogenides,7.383927344248248
+MgS,2.7,11.852,6.932,5.509,14.013,2.558,2.798,82.086,RS,Alkaline_earth_metal_chalcogenides,5.354224998486333
+MgSe,2.5,10.005,5.069,6.646,16.389,2.693,4.39,67.779,RS,Alkaline_earth_metal_chalcogenides,4.967031656614124
+MgTe,2.3,8.641,4.723,5.622,7.813,2.749,3.942,38.352,ZB,Alkaline_earth_metal_chalcogenides,4.955122584165997
+Ca0,7.1,16.715,9.7,3.867,14.456,2.39,3.409,129.097,RS,Alkaline_earth_metal_chalcogenides,6.249009525139524
+CaS,4.4,10.191,6.315,5.378,11.294,2.81,2.699,67.376,RS,Alkaline_earth_metal_chalcogenides,5.177279038170981
+CaSe,3.9,7.968,4.727,6.014,11.677,2.922,3.96,56.621,RS,Alkaline_earth_metal_chalcogenides,4.769836807543325
+CaTe,4.5,6.833,3.866,7.084,12.18,3.123,4.57,44.118,RS,Alkaline_earth_metal_chalcogenides,4.735320870453137
+SrO,5.8,15.527,8.51,3.889,18.163,2.487,5.592,125.758,RS,Alkaline_earth_metal_chalcogenides,5.977619140285929
+SrS,4.0,8.911,5.448,5.004,11.192,2.89,4.118,64.218,RS,Alkaline_earth_metal_chalcogenides,4.891851758106289
+SrSe,4.6,6.208,3.936,5.558,11.277,2.998,5.131,53.812,RS,Alkaline_earth_metal_chalcogenides,4.746669748261791
+SrTe,4.0,5.075,3.177,6.417,11.353,3.197,5.471,41.704,RS,Alkaline_earth_metal_chalcogenides,3.580737295494233
+BaO,4.4,12.879,6.396,4.376,57.213,2.776,5.953,83.576,RS,Alkaline_earth_metal_chalcogenides,5.676411277860069
+BaS,3.9,7.568,4.234,5.207,14.119,3.171,4.41,49.372,RS,Alkaline_earth_metal_chalcogenides,4.829912458665998
+BaSe,3.6,5.031,3.065,5.737,13.333,3.269,5.141,42.702,RS,Alkaline_earth_metal_chalcogenides,4.342505876511599
+BaTe,3.1,4.044,2.495,6.561,12.622,3.45,5.355,34.071,RS,Alkaline_earth_metal_chalcogenides,3.910021002757473
+MnO,3.8,13.49,5.458,15.471,17.258,2.243,5.217,156.37,RS,Transition_metal_oxide,5.443283136798223
+FeO,2.4,13.301,5.675,10.367,13.941,2.168,5.853,189.99,RS,Transition_metal_oxide,5.23590990641942
+CoO,2.4,12.666,7.491,20.831,21.547,2.111,6.618,211.027,RS,Transition_metal_oxide,5.265794174842477
+NiO,4.0,13.148,7.064,5.074,13.13,2.062,7.075,233.22,RS,Transition_metal_oxide,5.790571604728592
+C,5.5,40.513,29.674,5.765,5.765,1.523,3.661,460.524,ZB,Group_IV_semiconductor,7.8724551500639794
+Si,1.1,15.401,9.872,13.225,13.225,2.33,2.394,94.414,ZB,Group_IV_semiconductor,4.4331949212482815
+Ge,0.7,8.953,5.666,26.29,26.29,2.413,5.574,73.1,ZB,Group_IV_semiconductor,3.8480176754522337
+SiC,2.4,28.015,17.998,6.934,10.28,1.864,3.336,222.949,ZB,Group_IV_semiconductor,6.0390635259072605
+SiGe,0.9,9.894,6.278,14.827,14.831,2.367,4.092,84.105,ZB,Group_IV_semiconductor,3.962716119743664
+BN,6.4,38.333,26.001,4.564,6.725,1.546,3.622,397.099,ZB,Group_III-V_semiconductor,7.6314801600062205
+BP,2.4,24.772,16.617,9.186,9.34,1.939,3.09,172.929,ZB,Group_III-V_semiconductor,6.060990609756592
+BAs,1.5,22.201,13.278,9.643,9.767,2.049,5.375,143.369,ZB,Group_III-V_semiconductor,5.492649836008127
+AIN,4.9,25.516,15.834,4.545,8.28,1.863,3.418,205.352,ZB,Group_III-V_semiconductor,6.7818518620929815
+AlP,2.5,14.109,9.057,8.316,10.443,2.343,2.431,87.781,ZB,Group_III-V_semiconductor,5.258536496536192
+AlAs,2.2,11.668,7.051,9.463,11.403,2.434,3.813,73.032,ZB,Group_III-V_semiconductor,4.980863135762585
+AlSb,1.7,10.28,5.955,11.748,13.008,2.63,4.407,55.785,ZB,Group_III-V_semiconductor,4.817050545023591
+GaN,3.2,23.649,13.767,5.687,9.791,1.866,6.946,228.398,ZB,Group_III-V_semiconductor,6.53915233560654
+GaP,2.3,12.116,7.772,10.432,12.474,2.302,4.454,94.496,ZB,Group_III-V_semiconductor,5.335131339670753
+GaAs,1.4,8.503,5.587,13.819,15.753,2.396,5.669,76.592,ZB,Group_III-V_semiconductor,4.690430029938915
+GaSb,0.8,6.983,4.37,17.729,18.842,2.581,6.007,58.246,ZB,Group_III-V_semiconductor,3.744787086052232
+InN,2.1,19.422,10.991,14.855,19.722,2.116,7.337,163.696,ZB,Group_III-V_semiconductor,3.813307032488989
+InP,1.4,10.69,6.452,11.469,14.407,2.518,4.927,74.118,ZB,Group_III-V_semiconductor,3.768152635008444
+InAs,0.4,7.008,4.391,18.136,21.03,2.601,5.814,61.556,ZB,Group_III-V_semiconductor,2.360854001118021
+InSb,0.2,5.589,2.714,20.038,22.041,2.775,5.968,47.746,ZB,Group_III-V_semiconductor,2.360854001118021
+ZnO,3.4,16.719,9.577,5.288,9.769,1.963,5.803,154.694,ZB,Group_II-VI_semiconductor,5.444579873526289
+ZnS,3.7,10.392,6.466,6.106,8.769,2.309,4.271,83.194,ZB,Group_II-VI_semiconductor,5.471850417308912
+ZnSe,2.8,7.231,4.709,7.439,10.038,2.426,5.451,68.612,ZB,Group_II-VI_semiconductor,5.011967739330034
+ZnTe,2.4,6.066,4.302,9.06,11.253,2.591,5.985,53.992,ZB,Group_II-VI_semiconductor,4.702296896718814
+CdO,0.8,13.301,6.724,7.93,19.227,2.347,8.246,155.366,RS,Group_II-VI_semiconductor,5.203457085524077
+CdS,2.5,9.09,5.203,6.565,9.702,2.519,4.876,65.201,ZB,Group_II-VI_semiconductor,4.359269647551265
+CdSe,1.7,5.953,3.784,8.588,11.662,2.626,5.696,55.323,ZB,Group_II-VI_semiconductor,2.72785282839839
+CdTe,1.5,4.786,3.064,9.165,11.712,2.781,6.02,44.747,ZB,Group_II-VI_semiconductor,3.005682604407159
+HgO,2.2,12.764,6.035,7.548,10.312,2.25,10.251,101.921,ZB,Group_II-VI_semiconductor,5.0363030408448335

README.md

@@ -0,0 +1,156 @@
+V,I
+0.7,0
+0.8,0
+0.9,0
+1,0
+7.8,0
+9.8,0.01
+10.4,0.02
+11,0.03
+11.5,0.04
+11.9,0.05
+12.5,0.06
+13.1,0.07
+14.1,0.08
+14.8,0.09
+15.4,0.1
+15.8,0.11
+16.7,0.12
+18.5,0.13
+21.6,0.12
+23.4,0.11
+25.3,0.12
+25.5,0.13
+25.9,0.14
+26.4,0.15
+26.9,0.13
+27.3,0.17
+28.2,0.18
+28.7,0.19
+29.2,0.2
+30.6,0.21
+31.8,0.2
+32.6,0.19
+33.1,0.18
+33.6,0.17
+34,0.16
+34.2,0.15
+34.6,0.14
+34.8,0.13
+35.1,0.12
+36.2,0.13
+36.7,0.14
+37,0.15
+37.3,0.16
+37.4,0.17
+37.7,0.18
+37.9,0.19
+38.1,0.2
+38.2,0.21
+38.5,0.22
+38.8,0.23
+39,0.24
+39.2,0.25
+39.4,0.26
+39.6,0.27
+39.9,0.28
+40.2,0.29
+40.5,0.3
+40.9,0.31
+41.3,0.32
+42.4,0.33
+42.9,0.32
+43.7,0.31
+44,0.3
+44.3,0.29
+44.5,0.28
+44.7,0.27
+44.9,0.26
+45,0.25
+45.2,0.24
+45.4,0.23
+45.6,0.22
+45.7,0.21
+45.9,0.2
+46,0.19
+46.2,0.18
+46.7,0.17
+47.5,0.18
+47.7,0.19
+47.8,0.2
+47.9,0.21
+48.1,0.22
+48.2,0.23
+48.3,0.24
+48.4,0.25
+48.6,0.26
+48.7,0.27
+48.8,0.29
+49,0.3
+49.2,0.31
+49.3,0.32
+49.4,0.33
+49.5,0.34
+49.6,0.35
+49.8,0.37
+50,0.39
+50.2,0.42
+50.3,0.45
+50.4,0.44
+50.5,0.45
+50.8,0.47
+51,0.48
+51.1,0.49
+51.3,0.5
+51.5,0.52
+51.7,0.53
+51.8,0.54
+51.9,0.55
+52.2,0.56
+52.4,0.57
+52.8,0.58
+53,0.59
+53.5,0.6
+54.9,0.58
+55.2,0.57
+55.4,0.56
+55.6,0.54
+55.8,0.53
+56.1,0.51
+56.4,0.48
+56.6,0.46
+56.8,0.44
+56.9,0.43
+57,0.42
+57.1,0.4
+57.3,0.38
+57.4,0.36
+57.7,0.33
+58,0.31
+58.2,0.29
+59,0.3
+59.4,0.33
+59.8,0.38
+60.2,0.42
+60.5,0.46
+60.7,0.48
+61.1,0.54
+61.3,0.57
+61.5,0.6
+61.7,0.63
+61.9,0.67
+62.4,0.73
+62.7,0.77
+63.3,0.82
+64.1,0.89
+64.5,0.91
+64.6,0.95
+65,0.96
+65.6,0.97
+66.1,0.96
+66.2,0.95
+66.3,0.94
+66.4,0.93
+66.5,0.92
+66.7,0.91
+67,0.9