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fix valence electron counts (#917)
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@DanielYang59
DanielYang59 authored Feb 8, 2024
1 parent 35f23a1 commit 36cbe8b
Showing 1 changed file with 31 additions and 31 deletions.
62 changes: 31 additions & 31 deletions matminer/utils/data_files/Miedema.csv
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Original file line number Diff line number Diff line change
Expand Up @@ -2,14 +2,14 @@
0,H,1,1.7,3.38,5.2,1,0.14,0.0,100,0.0,0.0,14.025,0.0
1,Li,3,13.0,0.94,2.85,1,0.14,0.0,0,11.58,4.228,453.7,0.0
2,Be,4,4.9,4.66,5.05,2,0.1,0.4,0,100.4,143.2,1560.0,0.0
3,B,5,4.7,5.36,5.3,13,0.07,1.9,30,178.5,203.1,2300.0,0.0
4,C,6,3.26,5.55,6.24,14,0.04,2.1,180,545.4,451.3,4100.0,0.0
5,N,7,4.1,4.49,6.86,15,0.04,2.3,310,0.0,0.0,63.14,0.0
3,B,5,4.7,5.36,5.3,3,0.07,1.9,30,178.5,203.1,2300.0,0.0
4,C,6,3.26,5.55,6.24,4,0.04,2.1,180,545.4,451.3,4100.0,0.0
5,N,7,4.1,4.49,6.86,5,0.04,2.3,310,0.0,0.0,63.14,0.0
6,Na,11,23.78,0.55,2.7,1,0.14,0.0,0,6.817,3.434,371.0,0.0
7,Mg,12,14.0,1.6,3.45,2,0.1,0.4,0,35.44,17.36,922.0,0.0
8,Al,13,10.0,2.7,4.2,13,0.07,1.9,0,72.18,26.59,933.25,0.0
9,Si,14,8.6,3.38,4.7,14,0.04,2.1,34,98.88,39.73,1685.0,0.0
10,P,15,8.6,4.49,5.55,15,0.04,2.3,17,19.19,7.161,317.3,0.0
8,Al,13,10.0,2.7,4.2,3,0.07,1.9,0,72.18,26.59,933.25,0.0
9,Si,14,8.6,3.38,4.7,4,0.04,2.1,34,98.88,39.73,1685.0,0.0
10,P,15,8.6,4.49,5.55,5,0.04,2.3,17,19.19,7.161,317.3,0.0
11,K,19,45.63,0.27,2.25,1,0.14,0.0,0,3.178,1.275,336.35,0.0
12,Ca,20,26.2,0.75,2.55,2,0.1,0.4,0,15.21,7.358,1112.0,0.0
13,Sc,21,15.03,2.05,3.25,3,0.07,0.7,0,57.29,31.29,1812.0,-2.5
Expand All @@ -22,9 +22,9 @@
20,Ni,28,6.6,5.36,5.2,10,0.04,1.0,0,186.4,75.05,1726.0,-2.0
21,Cu,29,7.12,3.18,4.45,11,0.07,0.3,0,131.0,45.13,1357.6,1.5
22,Zn,30,9.17,2.3,4.1,12,0.1,1.4,0,59.85,37.18,692.73,0.0
23,Ga,31,11.82,2.25,4.1,13,0.07,1.9,0,56.9,37.47,302.9,0.0
24,Ge,32,9.87,2.57,4.55,14,0.04,2.1,25,77.24,39.24,1210.4,0.0
25,As,33,11.85,3.0,4.8,15,0.04,2.3,0,39.42,14.62,1081.0,0.0
23,Ga,31,11.82,2.25,4.1,3,0.07,1.9,0,56.9,37.47,302.9,0.0
24,Ge,32,9.87,2.57,4.55,4,0.04,2.1,25,77.24,39.24,1210.4,0.0
25,As,33,11.85,3.0,4.8,5,0.04,2.3,0,39.42,14.62,1081.0,0.0
26,Rb,37,56.07,0.22,2.1,1,0.14,0.0,0,3.145,1.001,312.64,0.0
27,Sr,38,33.93,0.59,2.4,2,0.1,0.4,0,11.62,5.229,1041.0,0.0
28,Y,39,19.9,1.77,3.2,3,0.07,0.7,0,36.62,25.8,1799.0,-2.5
Expand All @@ -37,25 +37,25 @@
35,Pd,46,8.9,4.66,5.45,10,0.04,1.0,0,180.9,51.11,1825.0,-2.0
36,Ag,47,10.25,2.52,4.35,11,0.07,0.3,0,100.7,28.65,1234.0,1.5
37,Cd,48,13.0,1.91,4.05,12,0.1,1.4,0,46.75,24.13,594.18,0.0
38,In,49,15.75,1.6,3.9,13,0.07,1.9,0,41.09,3.728,429.76,0.0
39,Sn,50,16.3,1.9,4.15,14,0.04,2.1,0,110.9,18.44,505.06,0.0
40,Sb,51,16.95,2.0,4.4,15,0.04,2.3,0,38.29,20.01,904.0,0.0
38,In,49,15.75,1.6,3.9,3,0.07,1.9,0,41.09,3.728,429.76,0.0
39,Sn,50,16.3,1.9,4.15,4,0.04,2.1,0,110.9,18.44,505.06,0.0
40,Sb,51,16.95,2.0,4.4,5,0.04,2.3,0,38.29,20.01,904.0,0.0
41,Cs,55,69.23,0.17,1.95,1,0.14,0.0,0,2.03,0.647,301.55,0.0
42,Ba,56,38.1,0.53,2.32,2,0.1,0.4,0,10.3,4.905,1002.0,0.0
43,La,57,22.55,1.64,3.17,3,0.07,0.7,0,24.3,14.91,1193.0,-2.5
44,Ce,58,21.62,1.69,3.18,3,0.07,0.7,0,23.95,11.97,1071.0,-2.0
45,Pr,59,20.79,1.73,3.19,3,0.07,0.7,0,30.58,13.54,1204.0,-2.5
46,Nd,60,20.58,1.73,3.19,3,0.07,0.7,0,32.68,14.52,1289.0,-2.5
47,Pm,61,20.25,1.77,3.19,3,0.07,0.7,0,35.32,16.68,1204.0,-2.5
48,Sm,62,20.01,1.77,3.2,3,0.07,0.7,0,29.41,12.65,1345.0,0.0
49,Eu,63,19.97,1.77,3.2,3,0.1,0.7,0,14.72,5.886,1090.0,2.2
50,Gd,64,19.9,1.77,3.2,3,0.07,0.7,0,38.34,22.27,1585.0,-2.5
51,Tb,65,19.32,1.82,3.21,3,0.07,0.7,0,39.93,22.86,1630.0,-2.5
52,Dy,66,19.0,1.82,3.21,3,0.07,0.7,0,38.44,25.41,1682.0,-2.5
53,Ho,67,18.76,1.82,3.22,3,0.07,0.7,0,39.68,26.68,1743.0,-2.5
54,Er,68,18.45,1.86,3.22,3,0.07,0.7,0,41.08,29.63,1795.0,-2.5
55,Tm,69,18.12,1.86,3.22,3,0.07,0.7,0,39.7,30.41,1818.0,-2.5
56,Yb,70,17.97,1.86,3.22,3,0.1,0.7,0,13.27,6.965,1097.0,-2.0
44,Ce,58,21.62,1.69,3.18,4,0.07,0.7,0,23.95,11.97,1071.0,-2.0
45,Pr,59,20.79,1.73,3.19,5,0.07,0.7,0,30.58,13.54,1204.0,-2.5
46,Nd,60,20.58,1.73,3.19,6,0.07,0.7,0,32.68,14.52,1289.0,-2.5
47,Pm,61,20.25,1.77,3.19,7,0.07,0.7,0,35.32,16.68,1204.0,-2.5
48,Sm,62,20.01,1.77,3.2,8,0.07,0.7,0,29.41,12.65,1345.0,0.0
49,Eu,63,19.97,1.77,3.2,9,0.1,0.7,0,14.72,5.886,1090.0,2.2
50,Gd,64,19.9,1.77,3.2,10,0.07,0.7,0,38.34,22.27,1585.0,-2.5
51,Tb,65,19.32,1.82,3.21,11,0.07,0.7,0,39.93,22.86,1630.0,-2.5
52,Dy,66,19.0,1.82,3.21,12,0.07,0.7,0,38.44,25.41,1682.0,-2.5
53,Ho,67,18.76,1.82,3.22,13,0.07,0.7,0,39.68,26.68,1743.0,-2.5
54,Er,68,18.45,1.86,3.22,14,0.07,0.7,0,41.08,29.63,1795.0,-2.5
55,Tm,69,18.12,1.86,3.22,15,0.07,0.7,0,39.7,30.41,1818.0,-2.5
56,Yb,70,17.97,1.86,3.22,16,0.1,0.7,0,13.27,6.965,1097.0,-2.0
57,Lu,71,17.77,1.91,3.22,3,0.07,0.7,0,41.13,33.84,1936.0,-2.5
58,Hf,72,13.45,3.05,3.6,4,0.04,1.0,0,108.9,52.97,2500.0,-2.5
59,Ta,73,10.81,4.33,4.05,5,0.04,1.0,0,200.1,68.67,3287.0,-9.5
Expand All @@ -66,9 +66,9 @@
64,Pt,78,9.1,5.64,5.65,10,0.04,1.0,0,278.4,61.02,2045.0,-2.0
65,Au,79,10.2,3.87,5.15,11,0.07,0.3,0,173.2,27.57,1337.58,1.5
66,Hg,80,14.08,1.91,4.2,12,0.1,1.4,0,28.25,10.01,234.28,0.0
67,Tl,81,17.23,1.4,3.9,13,0.07,1.9,0,35.93,2.747,577.0,0.0
68,Pb,82,18.28,1.52,4.1,14,0.04,2.1,0,42.99,5.396,600.6,0.0
69,Bi,83,19.32,1.56,4.15,15,0.04,2.3,0,31.48,12.85,544.52,0.0
70,Th,90,19.8,2.1,3.3,3,0.04,0.7,0,54.29,27.86,2028.0,2.2
71,U,92,13.15,3.44,3.9,3,0.04,1.0,0,98.79,73.58,1405.0,0.0
72,Pu,94,12.06,2.99,3.8,3,0.04,1.0,0,53.56,43.75,913.0,0.0
67,Tl,81,17.23,1.4,3.9,3,0.07,1.9,0,35.93,2.747,577.0,0.0
68,Pb,82,18.28,1.52,4.1,4,0.04,2.1,0,42.99,5.396,600.6,0.0
69,Bi,83,19.32,1.56,4.15,5,0.04,2.3,0,31.48,12.85,544.52,0.0
70,Th,90,19.8,2.1,3.3,4,0.04,0.7,0,54.29,27.86,2028.0,2.2
71,U,92,13.15,3.44,3.9,6,0.04,1.0,0,98.79,73.58,1405.0,0.0
72,Pu,94,12.06,2.99,3.8,8,0.04,1.0,0,53.56,43.75,913.0,0.0

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