Changeset 3301
- Timestamp:
- Mar 1, 2018 3:14:02 PM (6 years ago)
- Location:
- trunk
- Files:
-
- 2 edited
-
ElementTable.py (modified) (1 diff)
-
atmdata.py (modified) (7 diffs)
Legend:
- Unmodified
- Added
- Removed
-
trunk/ElementTable.py
r3289 r3301 142 142 (["Rh","Rh+1"], 8,4, "Rhodium", Metcolor, 0.258,(10,125,140)), 143 143 (["Pd","Pd+1"], 9,4, "Palladium", Metcolor, 0.270,(0,105,133)), 144 (["Ce+2"], 3.5,6.5, "Cerium", REcolor, 0.474,(255,255,199)), 145 (["Nd+2"], 5.5,6.5, "Neodymium", REcolor, 0.516,(199,255,199)), 146 (["Sm+2","Sm+3"], 7.5,6.5, "Samarium", REcolor, 0.558,(143,255,199)), 147 (["Eu+2","Eu+3"], 8.5,6.5, "Europium", REcolor, 0.582,(97,255,199)), 148 (["Gd+2","Gd+3"], 9.5,6.5, "Gadolinium", REcolor, 0.610,(69,255,199)), 149 (["Tb+2","Tb+3"], 10.5,6.5, "Terbium", REcolor, 0.624,(48,255,199)), 150 (["Dy+2","Dy+3"], 11.5,6.5, "Dysprosium", REcolor, 0.648,(31,255,199)), 151 (["Ho+2","Ho+3"], 12.5,6.5, "Holmium", REcolor, 0.672,(0,255,156)), 152 (["Er+2","Er+3"], 13.5,6.5, "Erbium", REcolor, 0.696,(0,230,117)), 153 (["Tm+2","Tm+3"], 14.5,6.5, "Thulium", REcolor, 0.723,(0,212,82)), 154 (["Yb+2","Yb+3"], 15.5,6.5, "Ytterbium", REcolor, 0.750,(0,191,56)), 155 (["Hf+2","Hf+#"], 3,5, "Hafnium", Metcolor, 0.804,(77,194,255)), 156 (["Ta+2","Ta+3","Ta+4"], 4,5, "Tantalum", Metcolor, 0.834,(77,166,255)), 144 #NB: zero valent atoms are copied from lowest valent ion for many of these 145 (["Ce","Ce+2"], 3.5,6.5, "Cerium", REcolor, 0.474,(255,255,199)), 146 (["Nd","Nd+2"], 5.5,6.5, "Neodymium", REcolor, 0.516,(199,255,199)), 147 (["Sm","Sm+2","Sm+3"], 7.5,6.5, "Samarium", REcolor, 0.558,(143,255,199)), 148 (["Eu","Eu+2","Eu+3"], 8.5,6.5, "Europium", REcolor, 0.582,(97,255,199)), 149 (["Gd","Gd+2","Gd+3"], 9.5,6.5, "Gadolinium", REcolor, 0.610,(69,255,199)), 150 (["Tb","Tb+2","Tb+3"], 10.5,6.5, "Terbium", REcolor, 0.624,(48,255,199)), 151 (["Dy","Dy+2","Dy+3"], 11.5,6.5, "Dysprosium", REcolor, 0.648,(31,255,199)), 152 (["Ho","Ho+2","Ho+3"], 12.5,6.5, "Holmium", REcolor, 0.672,(0,255,156)), 153 (["Er","Er+2","Er+3"], 13.5,6.5, "Erbium", REcolor, 0.696,(0,230,117)), 154 (["Tm","Tm+2","Tm+3"], 14.5,6.5, "Thulium", REcolor, 0.723,(0,212,82)), 155 (["Yb","Yb+2","Yb+3"], 15.5,6.5, "Ytterbium", REcolor, 0.750,(0,191,56)), 156 (["Hf","Hf+2","Hf+3"], 3,5, "Hafnium", Metcolor, 0.804,(77,194,255)), 157 (["Ta","Ta+2","Ta+3","Ta+4"], 4,5, "Tantalum", Metcolor, 0.834,(77,166,255)), 157 158 (["W","W+1","W+2","W+3","W+4","W+5"], 5,5, "Tungsten", Metcolor, 0.864,(33,148,214)), 158 159 (["Re","Re+1","Re+2","Re+3","Re+4","Re+5","Re+6"], 6,5, "Rhenium", Metcolor, 0.900,(38,125,171)), 159 160 (["Os","Os+1","Os+2","Os+3","Os+4","Os+5","Os+6","Os+7"], 7,5, "Osmium", Metcolor, 0.919,(38,102,150)), 160 161 (["Ir","Ir+1","Ir+2","Ir+3","Ir+4","Ir+5","Ir+6"], 8,5, "Iridium", Metcolor, 0.948,(23,84,135)), 161 (["Pt +1","Pt+2","Pt+3","Pt+4","Pt+5","Pt+6"], 9,5, "Platinium", Metcolor, 0.984,(208,208,224)),162 (["Au +1","Au+2","Au+3","Au+4","Au+5"], 10,5, "Gold", Metcolor, 1.014,(255,209,35)),163 (["U+3","U+4","U+5"], 5.5,7.5, "Uranium", REcolor, 1.470,(0,143,255)),164 (["Np +3","Np+4","Np+5","Np+6"], 6.5,7.5, "Neptunium", REcolor, 1.536,(0,128,255)),165 (["Pu +3","Pu+4","Pu+5","Pu+6"], 7.5,7.5, "Plutonium", REcolor, 1.584,(0,107,255)),166 (["Am +2","Am+3","Am+4","Am+5","Am+6","Am+7"], 8.5,7.5, "Americium", REcolor, 1.626,(84,92,242)),162 (["Pt","Pt+1","Pt+2","Pt+3","Pt+4","Pt+5","Pt+6"], 9,5, "Platinium", Metcolor, 0.984,(208,208,224)), 163 (["Au","Au+1","Au+2","Au+3","Au+4","Au+5"], 10,5, "Gold", Metcolor, 1.014,(255,209,35)), 164 (["U","U+3","U+4","U+5"], 5.5,7.5, "Uranium", REcolor, 1.470,(0,143,255)), 165 (["Np","Np+3","Np+4","Np+5","Np+6"], 6.5,7.5, "Neptunium", REcolor, 1.536,(0,128,255)), 166 (["Pu","Pu+3","Pu+4","Pu+5","Pu+6"], 7.5,7.5, "Plutonium", REcolor, 1.584,(0,107,255)), 167 (["Am","Am+2","Am+3","Am+4","Am+5","Am+6","Am+7"], 8.5,7.5, "Americium", REcolor, 1.626,(84,92,242)), 167 168 ] -
trunk/atmdata.py
r3295 r3301 701 701 'N':[ 4.2749, 17.900, 2.7021, 6.354, -.0258, .700, .0000, .000, .0071, 2.00]}, 702 702 #3rd row transition elements - take the 6s0 configs. 703 'Hf':{'M':[0.4229, 50.465, 0.7333, 23.865, 0.3798 ,4.051, 0.2252, 2.497, 0.0018], 704 'N':[9.6670, 33.435, 5.2429, 13.529, 0.5533, 1.402, 0.4934, 1.254, 0.0033, 2.00]}, #really Hf2+ 703 705 'Hf+2':{'M':[0.4229, 50.465, 0.7333, 23.865, 0.3798 ,4.051, 0.2252, 2.497, 0.0018], 704 706 'N':[9.6670, 33.435, 5.2429, 13.529, 0.5533, 1.402, 0.4934, 1.254, 0.0033, 2.00]}, 705 707 'Hf+3':{'M':[0.3555, 40.954, 0.8483, 21.726, 0.4116, 4.305, 0.2101, 2.349, 0.0023], 706 708 'N':[7.5646, 27.367, 5.0743, 12.402, 0.4133, 1.742, 0.3163, 1.437, 0.0012, 2.00]}, 709 'Ta':{'M':[0.3976, 45.095, 0.7746, 21.028, 0.6098, 3.471, 0.4395, 2.570, 0.0020], 710 'N':[8.1746, 29.871, 4.9405, 12.188, 1.1294, 1.254, 1.0658, 1.181, 0.0046, 2.00]}, #really Ta+2 707 711 'Ta+2':{'M':[0.3976, 45.095, 0.7746, 21.028, 0.6098, 3.471, 0.4395, 2.570, 0.0020], 708 712 'N':[8.1746, 29.871, 4.9405, 12.188, 1.1294, 1.254, 1.0658, 1.181, 0.0046, 2.00]}, … … 767 771 'Ir+6':{'M':[0.2854, 18.867, 1.1123, 10.982, 1.1403, 2.782, 0.7475, 1.959, 0.004], 768 772 'N':[2.8163, 13.697, 3.6906, 7.219, 5.2957, 1.254, 5.1328, 1.228, 0.0024, 2.00]}, 773 'Pt':{'M':[0.3664, 33.503, 0.8449, 13.303, 2.6192, 2.227, 2.4116, 2.059, 0.0041], 774 'N':[3.0783, 30.198, 4.7065, 12.857, 5.7270, 4.650, 4.4425, 4.222, 0.004, 2.00]}, #really Pt+1 769 775 'Pt+1':{'M':[0.3664, 33.503, 0.8449, 13.303, 2.6192, 2.227, 2.4116, 2.059, 0.0041], 770 776 'N':[3.0783, 30.198, 4.7065, 12.857, 5.7270, 4.650, 4.4425, 4.222, 0.004, 2.00]}, … … 779 785 'Pt+6':{'M':[0.2877, 17.780, 1.1111, 10.263, 1.9416, 2.432, 1.5477, 2.015, 0.0049], 780 786 'N':[2.5907, 12.991, 3.5155, 6.801, 0.7511, 1.206, 0.6014, 1.022, 0.0043, 2.00]}, 787 'Au':{'M':[0.3475, 28.294, 0.8964, 11.794, 4.5383, 2.086, 4.2988, 1.983, 0.0047], 788 'N':[2.3189, 25.954, 4.2267, 11.444, 9.0997, 4.215, 7.8523, 3.981, 0.0052, 2.00]}, #really Au+1 781 789 'Au+1':{'M':[0.3475, 28.294, 0.8964, 11.794, 4.5383, 2.086, 4.2988, 1.983, 0.0047], 782 790 'N':[2.3189, 25.954, 4.2267, 11.444, 9.0997, 4.215, 7.8523, 3.981, 0.0052, 2.00]}, … … 821 829 ''' 822 830 831 'Ce':{'M':[ .2953, 17.685, .2923, 6.733, .4313, 5.383, .0000, .000, -.0194], 832 'N':[ .9809, 18.063, 1.8413, 7.769, .9905, 2.845, .0000, .000, .0120, 2.00]}, #reallt Ce+2 823 833 'Ce+2':{'M':[ .2953, 17.685, .2923, 6.733, .4313, 5.383, .0000, .000, -.0194], 824 834 'N':[ .9809, 18.063, 1.8413, 7.769, .9905, 2.845, .0000, .000, .0120, 2.00]}, 835 'Nd':{'M':[ .1645, 25.045, .2522, 11.978, .6012, 4.946, .0000, .000, -.0180], 836 'N':[ 1.4530, 18.340, 1.6196, 7.285, .8752, 2.622, .0000, .000, .0126, 2.00]}, #really Nd+2 825 837 'Nd+2':{'M':[ .1645, 25.045, .2522, 11.978, .6012, 4.946, .0000, .000, -.0180], 826 838 'N':[ 1.4530, 18.340, 1.6196, 7.285, .8752, 2.622, .0000, .000, .0126, 2.00]}, 827 839 'Nd+3':{'M':[ .0540, 25.029, .3101, 12.102, .6575, 4.722, .0000, .000, -.0216], 828 840 'N':[ .6751, 18.342, 1.6272, 7.260, .9644, 2.602, .0000, .000, .0150, 2.00]}, 841 'Sm':{'M':[ .0909, 25.203, .3037, 11.856, .6250, 4.237, .0000, .000, -.0200], 842 'N':[ 1.0360, 18.425, 1.4769, 7.032, .8810, 2.437, .0000, .000, .0152, 2.00]}, #really Sm+2 829 843 'Sm+2':{'M':[ .0909, 25.203, .3037, 11.856, .6250, 4.237, .0000, .000, -.0200], 830 844 'N':[ 1.0360, 18.425, 1.4769, 7.032, .8810, 2.437, .0000, .000, .0152, 2.00]}, 831 845 'Sm+3':{'M':[ .0288, 25.207, .2973, 11.831, .6954, 4.212, .0000, .000, -.0213], 832 846 'N':[ .4707, 18.430, 1.4261, 7.034, .9574, 2.439, .0000, .000, .0182, 2.00]}, 847 'Eu':{'M':[ .0755, 25.296, .3001, 11.599, .6438, 4.025, .0000, .000, -.0196], 848 'N':[ .8970, 18.443, 1.3769, 7.005, .9060, 2.421, .0000, .000, .0190, 2.00]}, #really Eu+2 833 849 'Eu+2':{'M':[ .0755, 25.296, .3001, 11.599, .6438, 4.025, .0000, .000, -.0196], 834 850 'N':[ .8970, 18.443, 1.3769, 7.005, .9060, 2.421, .0000, .000, .0190, 2.00]}, 835 851 'Eu+3':{'M':[ .0204, 25.308, .3010, 11.474, .7005, 3.942, .0000, .000, -.0220], 836 852 'N':[ .3985, 18.451, 1.3307, 6.956, .9603, 2.378, .0000, .000, .0197, 2.00]}, 853 'Gd':{'M':[ .0636, 25.382, .3033, 11.212, .6528, 3.788, .0000, .000, -.0199], 854 'N':[ .7756, 18.469, 1.3124, 6.899, .8956, 2.338, .0000, .000, .0199, 2.00]}, #really Gd+2 837 855 'Gd+2':{'M':[ .0636, 25.382, .3033, 11.212, .6528, 3.788, .0000, .000, -.0199], 838 856 'N':[ .7756, 18.469, 1.3124, 6.899, .8956, 2.338, .0000, .000, .0199, 2.00]}, 839 857 'Gd+3':{'M':[ .0186, 25.387, .2895, 11.142, .7135, 3.752, .0000, .000, -.0217], 840 858 'N':[ .3347, 18.476, 1.2465, 6.877, .9537, 2.318, .0000, .000, .0217, 2.00]}, 859 'Tb':{'M':[ .0547, 25.509, .3171, 10.591, .6490, 3.517, .0000, .000, -.0212], 860 'N':[ .6688, 18.491, 1.2487, 6.822, .8888, 2.275, .0000, .000, .0215, 2.00]}, #really Tb+2 841 861 'Tb+2':{'M':[ .0547, 25.509, .3171, 10.591, .6490, 3.517, .0000, .000, -.0212], 842 862 'N':[ .6688, 18.491, 1.2487, 6.822, .8888, 2.275, .0000, .000, .0215, 2.00]}, 843 863 'Tb+3':{'M':[ .0177, 25.510, .2921, 10.577, .7133, 3.512, .0000, .000, -.0231], 844 864 'N':[ .3347, 18.476, 1.2465, 6.877, .9537, 2.318, .0000, .000, .0217, 2.00]}, 865 'Dy':{'M':[ .1308, 18.316, .3118, 7.665, .5795, 3.147, .0000, .000, -.0226], 866 'N':[ .5917, 18.511, 1.1828, 6.747, .8801, 2.214, .0000, .000, .0229, 2.00]}, #really Dy+2 845 867 'Dy+2':{'M':[ .1308, 18.316, .3118, 7.665, .5795, 3.147, .0000, .000, -.0226], 846 868 'N':[ .5917, 18.511, 1.1828, 6.747, .8801, 2.214, .0000, .000, .0229, 2.00]}, 847 869 'Dy+3':{'M':[ .1157, 15.073, .3270, 6.799, .5821, 3.020, .0000, .000, -.0249], 848 870 'N':[ .2523, 18.517, 1.0914, 6.736, .9345, 2.208, .0000, .000, .0250, 2.00]}, 871 'Ho':{'M':[ .0995, 18.176, .3305, 7.856, .5921, 2.980, .0000, .000, -.0230], 872 'N':[ .5094, 18.515, 1.1234, 6.706, .8727, 2.159, .0000, .000, .0242, 2.00]}, #really Ho+2 849 873 'Ho+2':{'M':[ .0995, 18.176, .3305, 7.856, .5921, 2.980, .0000, .000, -.0230], 850 874 'N':[ .5094, 18.515, 1.1234, 6.706, .8727, 2.159, .0000, .000, .0242, 2.00]}, 851 875 'Ho+3':{'M':[ .0566, 18.318, .3365, 7.688, .6317, 2.943, .0000, .000, -.0248], 852 876 'N':[ .2188, 18.516, 1.0240, 6.707, .9251, 2.161, .0000, .000, .0268, 2.00]}, 877 'Er':{'M':[ .1122, 18.122, .3462, 6.911, .5649, 2.761, .0000, .000, -.0235], 878 'N':[ .4693, 18.528, 1.0545, 6.649, .8679, 2.120, .0000, .000, .0261, 2.00]}, #really Er+2 853 879 'Er+2':{'M':[ .1122, 18.122, .3462, 6.911, .5649, 2.761, .0000, .000, -.0235], 854 880 'N':[ .4693, 18.528, 1.0545, 6.649, .8679, 2.120, .0000, .000, .0261, 2.00]}, 855 881 'Er+3':{'M':[ .0586, 17.980, .3540, 7.096, .6126, 2.748, .0000, .000, -.0251], 856 882 'N':[ .1710, 18.534, .9879, 6.625, .9044, 2.100, .0000, .000, .0278, 2.00]}, 883 'Tm':{'M':[ .0983, 18.324, .3380, 6.918, .5875, 2.662, .0000, .000, -.0241], 884 'N':[ .4198, 18.542, .9959, 6.600, .8593, 2.082, .0000, .000, .0284, 2.00]}, #really TTm+2 857 885 'Tm+2':{'M':[ .0983, 18.324, .3380, 6.918, .5875, 2.662, .0000, .000, -.0241], 858 886 'N':[ .4198, 18.542, .9959, 6.600, .8593, 2.082, .0000, .000, .0284, 2.00]}, 859 887 'Tm+3':{'M':[ .0581, 15.092, .2787, 7.801, .6854, 2.793, .0000, .000, -.0224], 860 888 'N':[ .1760, 18.542, .9105, 6.579, .8970, 2.062, .0000, .000, .0294, 2.00]}, 861 'Yb+2':{'M':[ .0855, 18.512, .2943, 7.373, .6412, 2.678, .0000, .000, -.0213], 889 'Yb':{'M':[ .0855, 18.512, .2943, 7.373, .6412, 2.678, .0000, .000, -.0213], 890 'N':[ .3852, 18.550, .9415, 6.551, .8492, 2.043, .0000, .000, .0301, 2.00]}, 891 'Yb+2':{'M':[ .0855, 18.512, .2943, 7.373, .6412, 2.678, .0000, .000, -.0213], #really Yb+2 862 892 'N':[ .3852, 18.550, .9415, 6.551, .8492, 2.043, .0000, .000, .0301, 2.00]}, 863 893 'Yb+3':{'M':[ .0416, 16.095, .2849, 7.834, .6961, 2.672, .0000, .000, -.0229], 864 894 'N':[ .1570, 18.555, .8484, 6.540, .8880, 2.037, .0000, .000, .0318, 2.00]}, 895 'U':{'M': [ .5058, 23.288, 1.3464, 7.003, -.8724, 4.868, .0000, .000, .0192], 896 'N': [ 4.1582, 16.534, 2.4675, 5.952, -.0252, .765, .0000, .000, .0057, 2.00]}, #really U+3 865 897 'U+3':{'M': [ .5058, 23.288, 1.3464, 7.003, -.8724, 4.868, .0000, .000, .0192], 866 898 'N': [ 4.1582, 16.534, 2.4675, 5.952, -.0252, .765, .0000, .000, .0057, 2.00]}, … … 869 901 'U+5':{'M': [ .3650, 19.804, 3.2199, 6.282, -2.6077, 5.301, .0000, .000, .0233], 870 902 'N': [ 3.0724, 12.546, 2.3076, 5.231, -.0644, 1.474, .0000, .000, .0035, 2.00]}, 903 'Np':{'M':[ .5157, 20.865, 2.2784, 5.893, -1.8163, 4.846, .0000, .000, .0211], 904 'N':[ 3.7170, 15.133, 2.3216, 5.503, -.0275, .800, .0000, .000, .0052, 2.00]}, #really Np+3 871 905 'Np+3':{'M':[ .5157, 20.865, 2.2784, 5.893, -1.8163, 4.846, .0000, .000, .0211], 872 906 'N':[ 3.7170, 15.133, 2.3216, 5.503, -.0275, .800, .0000, .000, .0052, 2.00]}, … … 877 911 'Np+6':{'M':[ .2929, 17.561, 3.4866, 5.785, -2.8066, 4.871, .0000, .000, .0267], 878 912 'N':[ 1.8245, 13.180, 2.8508, 5.407, -.1579, .044, .0000, .000, .1438, 2.00]}, 913 'Pu':{'M':[ .3840, 16.679, 3.1049, 5.421, -2.5148, 4.551, .0000, .000, .0263], 914 'N':[ 2.0885, 12.871, 2.5961, 5.190, -.1465, .039, .0000, .000, .1343, 2.00]}, #really Pu+3 879 915 'Pu+3':{'M':[ .3840, 16.679, 3.1049, 5.421, -2.5148, 4.551, .0000, .000, .0263], 880 916 'N':[ 2.0885, 12.871, 2.5961, 5.190, -.1465, .039, .0000, .000, .1343, 2.00]}, … … 885 921 'Pu+6':{'M':[ .3172, 16.051, 3.4654, 5.351, -2.8102, 4.513, .0000, .000, .0281], 886 922 'N':[ 1.7262, 12.324, 2.6652, 5.066, -.1695, .041, .0000, .000, .1550, 2.00]}, 923 'Am':{'M':[ .4743, 21.776, 1.5800, 5.690, -1.0779, 4.145, .0000, .000, .0218], 924 'N':[ 3.5237, 15.955, 2.2855, 5.195, -.0142, .585, .0000, .000, .0033, 2.00]}, #really Am+3 887 925 'Am+2':{'M':[ .4743, 21.776, 1.5800, 5.690, -1.0779, 4.145, .0000, .000, .0218], 888 926 'N':[ 3.5237, 15.955, 2.2855, 5.195, -.0142, .585, .0000, .000, .0033, 2.00]},
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