Repository: theochem/AtomDB (language: python)

Issue:
Addition of dipole polarizability data for isolated atoms
I added the static dipole polarizability data for isolated atoms reported in https://doi.org/10.1080/00268976.2018.1535143 to their respective files. During testing, I observed an issue in the code: it is loading compiled data instead of data directly from the files.


Discussion / hints:

Fix patch:
diff --git a/atomdb/data/data_info.csv b/atomdb/data/data_info.csv
index 68d480bb..bac0ce60 100644
--- a/atomdb/data/data_info.csv
+++ b/atomdb/data/data_info.csv
@@ -16,7 +16,8 @@ at_radius,atomic radius,wc,Waber-Cromer atomic radius,"J. T. Waber and D. T. Cro
 at_radius,atomic radius,cr,Clementi-Raimondi atomic radius,"E. Clementi, D. L. Raimondi, W. P. Reinhardt, J. Chem. Phys. 47, 1300 (1967)",http://dx.doi.org/10.1063/1.1712084,
 eneg,Electronegativity,pauling,Pauling electronegativity,"A. L. Allred, J. Inorg. Nuc. Chem. 17, 215 (1961)",http://dx.doi.org/10.1016/0022-1902(61)80142-5,
 pold,Isolated atom dipole polarizability,crc,Isolated atom dipole polarizability,"CRC Handbook of Chemistry and Physics (CRC, Boca Raton, FL, 2003).",,"If multiple values were present in the CRC book, the value used in Erin's postg code is taken"
-pold,Isolated atom dipole polarizability,chu,Isolated atom dipole polarizability,"X. Chu & A. Dalgarno, J. Chem. Phys., 121(9), 4083–4088 (2004)",http://dx.doi.org/10.1063/1.1779576,"Theoretical value for hydrogen from this paper:\nA.D. Buckingham, K.L. Clarke, Chem. Phys. Lett. 57(3), 321--325 (1978)\nhttp://dx.doi.org/10.1016/0009-2614(78)85517-1"
+pold,Isolated atom dipole polarizability,chu,Isolated atom dipole polarizability,"X. Chu, A. Dalgarno, J. Chem. Phys., 121(9), 4083–4088 (2004)",http://dx.doi.org/10.1063/1.1779576,"Theoretical value for hydrogen from this paper:\nA.D. Buckingham, K.L. Clarke, Chem. Phys. Lett. 57(3), 321--325 (1978)\nhttp://dx.doi.org/10.1016/0009-2614(78)85517-1"
+pold,Isolated atom dipole polarizability,sn,Isolated atom dipole polarizability,"Schwerdtfeger, P., Nagle, J. K. (2018). Molecular Physics, 117(9-12), 1200-1225.",https://doi.org/10.1080/00268976.2018.1535143,For Lv no value currently available
 c6,Isolated atom C6 dispersion coefficients,chu,Isolated atom C6 dispersion coefficients,"X. Chu & A. Dalgarno, J. Chem. Phys., 121(9), 4083–4088 (2004)",http://dx.doi.org/10.1063/1.1779576,"Theoretical value for hydrogen from this paper:\nK. T. Tang, J. M. Norbeck and P. R. Certain, J. Chem. Phys. 64, 3063 (1976)\nhttp://dx.doi.org/10.1063/1.432569"
 mass,Atomic mass,stb,IUPAC atomic mass (or weight for the chemists),"Thomas Prohaska et. al. Pure Appl. Chem. 2022, 94",https://doi.org/10.1515/pac-2019-0603,"For Tc, Pm, Po - Ac, Np, Pu, Am-Og the mass of the most abundant isotope or with longer half-life taken from https://physics.nist.gov/cgi-bin/Compositions/stand_alone.pl"
 mass,Atomic mass,nist,NIST atomic mass,,https://physics.nist.gov/cgi-bin/Compositions/stand_alone.pl,Mass of the most common isotope
diff --git a/atomdb/data/elements_data.csv b/atomdb/data/elements_data.csv
index 79d9f9e9..4ddb2aac 100644
--- a/atomdb/data/elements_data.csv
+++ b/atomdb/data/elements_data.csv
@@ -1,126 +1,126 @@
-#Periodic Table data.,,,,,,,,,,,,,,,,,,,,,,,
-# First row indicates the property,,,,,,,,,,,,,,,,,,,,,,,
-# Second row indicates  the source/alternative for a given property (can be empty) it is used to link the references with the values,,,,,,,,,,,,,,,,,,,,,,,
-# Third row indicates the units,,,,,,,,,,,,,,,,,,,,,,,
-,,,,,,,,,,,,,,,,,,,,,,,
-atnum,symbol,name,group,period,mult,cov_radius,cov_radius,cov_radius,vdw_radius,vdw_radius,vdw_radius,vdw_radius,vdw_radius,vdw_radius,vdw_radius,at_radius,at_radius,eneg,pold,pold,c6,mass,mass
-,,,,,,cordero,bragg,slater,bondi,truhlar,rt,batsanov,dreiding,uff,mm3,wc,cr,pauling,crc,chu,chu,stb,nist
-int,str,str,int,int,int,angstrom,angstrom,angstrom,angstrom,angstrom,angstrom,angstrom,2angstrom,2angstrom,angstrom,angstrom,angstrom,float,angstrom**3,au,au,amu,amu
-1,H,Hydrogen,1,1,2,0.31,,0.25,1.2,,1.1,,3.195,2.886,1.62,0.529192875,0.53,2.2,0.666793,4.5,6.499026705,1.007975,1.007825032
-2,He,Helium,18,1,1,0.28,,,1.4,,,,,2.362,1.53,0.291,0.31,,0.204956,1.38,1.42,4.002602,4.002603254
-3,Li,Lithium,1,2,2,1.28,1.5,1.45,1.81,,,2.2,,2.451,2.55,1.586,1.67,0.98,24.3,164,1392,6.9675,7.016003437
-4,Be,Beryllium,2,2,1,0.96,1.15,1.05,,1.53,,1.9,,2.745,2.23,1.04,1.12,1.57,5.6,38,227,9.0121831,9.0121831
-5,B,Boron,13,2,2,0.84,,0.85,,1.92,,1.8,4.02,4.083,2.15,0.776,0.87,2.04,3.03,21,99.5,10.8135,11.00930536
-6,C,Carbon,14,2,3,0.7445337366,0.77,0.7,1.7,,1.77,1.7,3.8983,3.851,2.04,0.62,0.67,2.55,1.76,12,46.6,12.0106,12
-7,N,Nitrogen,15,2,4,0.71,0.65,0.65,1.55,,1.64,1.6,3.6621,3.66,1.93,0.521,0.56,3.04,1.1,7.4,24.2,14.006855,14.003074
-8,O,Oxygen,16,2,3,0.66,0.65,0.6,1.52,,1.58,1.55,3.4046,3.5,1.82,0.45,0.48,3.44,0.802,5.4,15.6,15.9994,15.99491462
-9,F,Fluorine,17,2,2,0.57,0.67,0.5,1.47,,1.46,1.5,3.472,3.364,1.71,0.396,0.42,3.98,0.557,3.8,9.52,18.99840316,18.99840316
-10,Ne,Neon,18,2,1,0.58,,,1.54,,1.81,,,3.243,1.6,0.354,0.38,,0.3956,2.67,6.2,20.1797,19.99244018
-11,Na,Sodium,1,3,2,1.66,1.77,1.8,2.27,,1.76,2.4,,2.983,2.7,1.713,1.9,0.93,24.11,163,1518,22.98976928,22.98976928
-12,Mg,Magnesium,2,3,1,1.41,1.42,1.5,1.73,,1.87,2.2,,3.021,2.43,1.279,1.45,1.31,10.6,71,626,24.3055,23.9850417
-13,Al,Aluminium,13,3,2,1.21,1.35,1.25,,1.84,2.03,2.1,4.39,4.499,2.36,1.312,1.18,1.61,6.8,60,528,26.9815385,26.9815385
-14,Si,Silicon,14,3,3,1.11,1.17,1.1,2.1,,,2.1,4.27,4.295,2.29,1.068,1.11,1.9,5.38,37,305,28.085,27.97692653
-15,P,Phosphorus,15,3,4,1.07,,1,1.8,,,1.95,4.15,4.147,2.22,0.919,0.98,2.19,3.63,25,185,30.973762,30.973762
-16,S,Sulfur,16,3,3,1.05,1.02,1,1.8,,,1.8,4.03,4.035,2.15,0.81,0.88,2.58,2.9,19.6,134,32.0675,31.97207117
-17,Cl,Chlorine,17,3,2,1.02,1.05,1,1.75,,,1.8,3.9503,3.947,2.07,0.725,0.79,3.16,2.18,15,94.6,35.4515,34.96885268
-18,Ar,Argon,18,3,1,1.06,,,1.88,,,,,3.868,1.99,0.659,0.71,,1.6411,11.1,64.2,39.948,39.96238312
-19,K,Potassium,1,4,2,2.03,2.07,2.2,2.75,,,2.8,,3.812,3.09,2.162,2.43,0.82,43.4,294,3923,39.0983,38.96370649
-20,Ca,Calcium,2,4,1,1.76,1.7,1.8,,2.31,,2.4,,3.399,2.81,1.69,1.94,1,22.8,160,2163,40.078,39.96259086
-21,Sc,Scandium,3,4,2,1.7,,1.6,,,,2.3,,3.295,2.61,1.57,1.84,1.36,17.8,120,1383,44.955908,44.955908
-22,Ti,Titanium,4,4,3,1.6,1.4,1.4,,,,2.15,,3.175,2.39,1.477,1.76,1.54,14.6,98,1044,47.867,47.94794198
-23,V,Vanadium,5,4,4,1.53,,1.35,,,,2.05,,3.144,2.29,1.401,1.71,1.63,12.4,84,832,50.9415,50.94395704
-24,Cr,Chromium,6,4,7,1.39,1.4,1.4,,,,2.05,,3.023,2.25,1.453,1.66,1.66,11.6,78,602,51.9961,51.94050623
-25,Mn,Manganese,7,4,6,1.553504,1.47,1.4,,,,2.05,,2.961,2.24,1.278,1.61,1.55,9.4,63,552,54.938044,54.938044
-26,Fe,Iron,8,4,5,1.4841791045,1.4,1.4,,,,2.05,,2.912,2.23,1.227,1.56,1.83,8.4,56,482,55.845,55.93493633
-27,Co,Cobalt,9,4,4,1.2975449102,1.37,1.35,,,,2,,2.872,2.23,1.181,1.52,1.88,7.5,50,408,58.933194,58.933194
-28,Ni,Nickel,10,4,3,1.24,1.35,1.35,,,,2,,2.834,2.22,1.139,1.49,1.91,6.8,48,373,58.6934,57.93534241
-29,Cu,Copper,11,4,2,1.32,1.37,1.35,,,,2,,3.495,2.26,1.191,1.45,1.9,6.2,42,253,63.546,62.92959772
-30,Zn,Zinc,12,4,1,1.22,1.32,1.35,,,,2.1,,2.763,2.29,1.065,1.42,1.65,5.75,40,284,65.38,63.92914201
-31,Ga,Gallium,13,4,2,1.22,,1.3,1.87,,,2.1,4.39,4.383,2.46,1.254,1.36,1.81,8.12,60,498,69.723,68.9255735
-32,Ge,Germanium,14,4,3,1.2,,1.25,,2.11,,2.1,4.27,4.28,2.44,1.09,1.25,2.01,6.07,41,354,72.63,73.92117776
-33,As,Arsenic,15,4,4,1.19,1.26,1.15,1.85,,,2.05,4.15,4.23,2.36,1.001,1.14,2.18,4.31,29,246,74.921595,74.921595
-34,Se,Selenium,16,4,3,1.2,1.17,1.15,1.9,,,1.9,4.03,4.205,2.29,0.918,1.03,2.55,3.77,25,210,78.971,79.9165218
-35,Br,Bromine,17,4,2,1.2,1.19,1.15,1.83,,,1.9,3.95,4.189,2.22,0.851,0.94,2.96,3.05,20,162,79.904,78.9183376
-36,Kr,Krypton,18,4,1,1.16,,,2.02,,,,,4.141,2.15,0.795,0.88,,2.4844,16.7,130,83.798,83.91149773
-37,Rb,Rubidium,1,5,2,2.2,2.25,2.35,,3.03,,2.9,,4.114,3.25,2.287,2.65,0.82,47.3,320,4769,85.4678,84.91178974
-38,Sr,Strontium,2,5,1,1.95,1.95,2,,2.49,,2.55,,3.641,3,1.836,2.19,0.95,27.6,199,3175,87.62,87.9056125
-39,Y,Yttrium,3,5,2,1.9,,1.8,,,,2.4,,3.345,2.71,1.693,2.12,1.22,22.7,,,88.90584,88.90584
-40,Zr,Zirconium,4,5,3,1.75,,1.55,,,,2.3,,3.124,2.54,1.593,2.06,1.33,17.9,,,91.224,89.9046977
-41,Nb,Niobium,5,5,6,1.64,,1.45,,,,2.15,,3.165,2.43,1.589,1.98,,15.7,,,92.90637,92.90637
-42,Mo,Molybdenum,6,5,7,1.54,,1.45,,,,2.1,,3.052,2.39,1.52,1.9,2.16,12.8,,,95.95,97.90540482
-43,Tc,Technetium,7,5,6,1.47,,1.35,,,,2.05,,2.998,2.36,1.391,1.83,,11.4,,,97.9072124,97.9072124
-44,Ru,Ruthenium,8,5,5,1.46,,1.3,,,,2.05,,2.963,2.34,1.41,1.78,,9.6,,,101.07,101.9043441
-45,Rh,Rhodium,9,5,4,1.42,,1.35,,,,2,,2.929,2.34,1.364,1.73,2.28,8.6,,,102.9055,102.9055
-46,Pd,Palladium,10,5,1,1.39,,1.4,,,,2.05,,2.899,2.37,0.567,1.69,2.2,4.8,,,106.42,105.9034804
-47,Ag,Silver,11,5,2,1.45,1.77,1.6,,,,2.1,,3.148,2.43,1.286,1.65,1.93,7.2,,,107.8682,106.9050916
-48,Cd,Cadmium,12,5,1,1.44,1.6,1.55,,,,2.2,,2.848,2.5,1.184,1.61,1.69,7.36,,,112.414,113.9033651
-49,In,Indium,13,5,2,1.42,,1.55,1.93,,,2.2,4.59,4.463,2.64,1.382,1.56,1.78,10.2,75,779,114.818,114.818
-50,Sn,Tin,14,5,3,1.39,1.4,1.45,2.17,,,2.25,4.47,4.392,2.59,1.24,1.45,1.96,7.7,60,659,118.71,119.9022016
-51,Sb,Antimony,15,5,4,1.39,1.4,1.45,,2.06,,2.2,4.35,4.42,2.52,1.193,1.33,2.05,6.6,44,492,121.76,120.903812
-52,Te,Tellurium,16,5,3,1.38,1.33,1.4,2.06,,,2.1,4.23,4.47,2.44,1.111,1.23,,5.5,40,445,127.6,129.9062227
-53,I,Iodine,17,5,2,1.39,1.4,1.4,1.98,,,2.1,4.15,4.5,2.36,1.044,1.15,2.66,5.35,35,385,126.90447,126.90447
-54,Xe,Xenon,18,5,1,1.4,,,2.16,,,,,4.404,2.28,0.986,1.08,,4.044,,,131.293,131.9041551
-55,Cs,Caesium,1,6,2,2.44,2.37,2.6,,3.43,,3,,4.517,3.44,2.518,2.98,0.79,59.42,,,132.905452,132.905452
-56,Ba,Barium,2,6,1,2.15,2.1,2.15,,2.68,,2.7,,3.703,3.07,2.06,2.53,0.89,39.7,,,137.327,137.905247
-57,La,Lanthanum,,6,2,2.07,,1.95,,,,2.5,,3.522,2.78,1.915,,1.1,31.1,,,138.90547,138.9063563
-58,Ce,Cerium,,6,1,2.04,,1.85,,,,,,3.556,2.74,1.978,,,29.6,,,140.116,139.9054431
-59,Pr,Praseodymium,,6,4,2.03,,1.85,,,,,,3.606,2.73,1.942,2.47,1.13,28.2,,,140.90766,140.90766
-60,Nd,Neodymium,,6,5,2.01,,1.85,,,,,,3.575,2.73,1.912,2.06,1.14,31.4,,,144.242,141.907729
-61,Pm,Promethium,,6,6,1.99,,1.85,,,,,,3.547,2.72,1.882,2.05,,30.1,,,144.9127559,144.9127559
-62,Sm,Samarium,,6,7,1.98,,1.85,,,,,,3.52,2.71,1.854,2.38,1.17,28.8,,,150.36,151.9197397
-63,Eu,Europium,,6,8,1.98,,1.85,,,,,,3.493,2.94,1.826,2.31,,27.7,,,151.964,152.921238
-64,Gd,Gadolinium,,6,9,1.96,,1.8,,,,,,3.368,2.71,1.713,2.33,1.2,23.5,,,157.25,157.9241123
-65,Tb,Terbium,,6,6,1.94,,1.75,,,,,,3.451,2.7,1.775,2.25,,25.5,,,158.92535,158.92535
-66,Dy,Dysprosium,,6,5,1.92,,1.75,,,,,,3.428,2.9,1.75,2.28,1.22,24.5,,,162.5,163.9291819
-67,Ho,Holmium,,6,4,1.92,,1.75,,,,,,3.409,2.67,1.727,2.26,1.23,23.6,,,164.93033,164.93033
-68,Er,Erbium,,6,3,1.89,,1.75,,,,,,3.391,2.67,1.703,2.26,1.24,22.7,,,167.259,165.9302995
-69,Tm,Thulium,,6,2,1.9,,1.75,,,,,,3.374,2.67,1.681,2.22,1.25,21.8,,,168.93422,168.93422
-70,Yb,Ytterbium,,6,1,1.87,,1.75,,,,,,3.355,2.79,1.658,2.22,,21,,,173.054,173.9388664
-71,Lu,Lutetium,3,6,2,1.87,,1.75,,,,,,3.64,2.65,1.553,2.17,1.27,21.9,,,174.9668,174.9407752
-72,Hf,Hafnium,4,6,3,1.75,,1.55,,,,2.25,,3.141,2.53,1.476,2.08,,16.2,,,178.49,179.946557
-73,Ta,Tantalum,5,6,4,1.7,,1.45,,,,2.2,,3.17,2.43,1.413,2,,13.1,,,180.94788,180.9479958
-74,W,Tungsten,6,6,5,1.62,,1.35,,,,2.1,,3.096,2.39,1.36,1.93,2.36,11.1,,,183.84,183.9509309
-75,Re,Rhenium,7,6,6,1.51,,1.35,,,,2.05,,2.954,2.37,1.31,1.88,,9.7,,,186.207,186.9557501
-76,Os,Osmium,8,6,5,1.44,,1.3,,,,2,,3.12,2.35,1.266,1.85,,8.5,,,190.23,191.961477
-77,Ir,Iridium,9,6,4,1.41,,1.35,,,,2,,2.84,2.36,1.227,1.8,2.2,7.6,,,192.217,192.9629216
-78,Pt,Platinum,10,6,3,1.36,,1.35,,,,2.05,,2.754,2.39,1.221,1.77,2.28,6.5,,,195.084,194.9647917
-79,Au,Gold,11,6,2,1.36,,1.35,,,,2.1,,3.293,2.43,1.187,1.74,2.54,5.8,,,196.966569,196.966569
-80,Hg,Mercury,12,6,1,1.32,,1.5,,,,2.05,,2.705,2.53,1.126,1.71,2,5.02,,,200.592,201.9706434
-81,Tl,Thallium,13,6,2,1.45,1.9,1.9,1.96,,,2.2,,4.347,2.59,1.319,1.56,2.04,7.6,,,204.3835,204.9744278
-82,Pb,Lead,14,6,3,1.46,,,2.02,,,2.3,,4.297,2.74,1.215,1.54,2.33,6.8,,,207.2,207.9766525
-83,Bi,Bismuth,15,6,4,1.48,1.48,1.6,,2.07,,2.3,,4.37,2.66,1.295,1.43,2.02,7.4,,,208.9804,208.9804
-84,Po,Polonium,16,6,3,1.4,,1.9,,1.97,,,,4.709,2.59,1.212,1.35,,6.8,,,208.9824308,208.9824308
-85,At,Astatine,17,6,2,1.5,,,,2.02,,,,4.75,2.51,1.146,1.27,,6,,,209.9871479,209.9871479
-86,Rn,Radon,18,6,1,1.5,,,,2.2,,,,4.765,2.43,1.09,1.2,,5.3,,,222.0175782,222.0175782
-87,Fr,Francium,1,7,2,2.6,,,,3.48,,,,4.9,3.64,2.447,,,47.1,,,223.019736,223.019736
-88,Ra,Radium,2,7,1,2.21,,2.15,,2.83,,,,3.677,3.27,2.042,,,38.3,,,226.0254103,226.0254103
-89,Ac,Actinium,,7,2,2.15,,1.95,,,,,,3.478,3.08,1.895,,,32.1,,,227.0277523,227.0277523
-90,Th,Thorium,,7,3,2.06,,1.8,,,,2.4,,3.396,2.74,1.788,,,32.1,,,232.0377,232.0377
-91,Pa,Protactinium,,7,4,2,,1.8,,,,,,3.424,2.64,1.804,,,25.4,,,231.03588,231.03588
-92,U,Uranium,,7,5,1.96,,1.75,,,,2.3,,3.395,2.52,1.775,,1.38,24.9,,,238.02891,238.0507884
-93,Np,Neptunium,,7,6,1.9,,1.75,,,,,,3.424,2.52,1.741,,1.36,24.8,,,237.0481736,237.0481736
-94,Pu,Plutonium,,7,7,1.87,,1.75,,,,,,3.424,2.52,1.784,,1.28,24.5,,,244.0642053,244.0642053
-95,Am,Americium,,7,8,1.8,,1.75,,,,,,3.381,,1.757,,,23.3,,,243.0613813,243.0613813
-96,Cm,Curium,,7,9,1.69,,,,,,,,3.326,,1.657,,,23,,,247.0703541,247.0703541
-97,Bk,Berkelium,,7,6,,,,,,,,,3.339,,1.626,,,22.7,,,247.0703073,247.0703073
-98,Cf,Californium,,7,5,,,,,,,,,3.313,,1.598,,,20.5,,,251.0795886,251.0795886
-99,Es,Einsteinium,,7,4,,,,,,,,,3.299,,1.576,,,19.7,,,252.08298,252.08298
-100,Fm,Fermium,,7,3,,,,,,,,,3.286,,1.557,,,23.8,,,257.0951061,257.0951061
-101,Md,Mendelevium,,7,2,,,,,,,,,3.274,,1.527,,,18.2,,,258.0984315,258.0984315
-102,No,Nobelium,,7,1,,,,,,,,,3.248,,1.581,,,17.5,,,259.10103,259.10103
-103,Lr,Lawrencium,3,7,2,,,,,,,,,3.236,,,,,,,,262.10961,262.10961
-104,Rf,Rutherfordium,4,7,3,,,,,,,,,,,,,,,,,267.12179,267.12179
-105,Db,Dubnium,5,7,4,,,,,,,,,,,,,,,,,268.12567,268.12567
-106,Sg,Seaborgium,6,7,5,,,,,,,,,,,,,,,,,271.13393,271.13393
-107,Bh,Bohrium,7,7,6,,,,,,,,,,,,,,,,,272.13826,272.13826
-108,Hs,Hassium,8,7,5,,,,,,,,,,,,,,,,,270.13429,270.13429
-109,Mt,Meitnerium,9,7,4,,,,,,,,,,,,,,,,,276.15159,276.15159
-110,Ds,Darmstadtium,10,7,3,,,,,,,,,,,,,,,,,281.16451,281.16451
-111,Rg,Roentgenium,11,7,2,,,,,,,,,,,,,,,,,280.16514,280.16514
-112,Cn,Copernicium,12,7,1,,,,,,,,,,,,,,,,,285.17712,285.17712
-113,Nh,Nihonium,13,7,2,,,,,,,,,,,,,,,,,284.17873,284.17873
-114,Fl,Flerovium,14,7,3,,,,,,,,,,,,,,,,,289.19042,289.19042
-115,Mc,Moscovium,15,7,4,,,,,,,,,,,,,,,,,288.19274,288.19274
-116,Lv,Livermorium,16,7,3,,,,,,,,,,,,,,,,,293.20449,293.20449
-117,Ts,Tennessine,17,7,2,,,,,,,,,,,,,,,,,292.20746,292.20746
-118,Og,Oganesson,18,7,1,,,,,,,,,,,,,,,,,294.21392,294.21392
+#Periodic Table data.,,,,,,,,,,,,,,,,,,,,,,,,
+# First row indicates the property,,,,,,,,,,,,,,,,,,,,,,,,
+# Second row indicates  the source/alternative for a given property (can be empty) it is used to link the references with the values,,,,,,,,,,,,,,,,,,,,,,,,
+# Third row indicates the units,,,,,,,,,,,,,,,,,,,,,,,,
+,,,,,,,,,,,,,,,,,,,,,,,,
+atnum,symbol,name,group,period,mult,cov_radius,cov_radius,cov_radius,vdw_radius,vdw_radius,vdw_radius,vdw_radius,vdw_radius,vdw_radius,vdw_radius,at_radius,at_radius,eneg,pold,pold,pold,c6,mass,mass
+,,,,,,cordero,bragg,slater,bondi,truhlar,rt,batsanov,dreiding,uff,mm3,wc,cr,pauling,crc,chu,sn,chu,stb,nist
+int,str,str,int,int,int,angstrom,angstrom,angstrom,angstrom,angstrom,angstrom,angstrom,2angstrom,2angstrom,angstrom,angstrom,angstrom,float,angstrom**3,au,au,au,amu,amu
+1,H,Hydrogen,1,1,2,0.31,,0.25,1.2,,1.1,,3.195,2.886,1.62,0.529192875,0.53,2.2,0.666793,4.5,4.50711,6.499026705,1.007975,1.007825032
+2,He,Helium,18,1,1,0.28,,,1.4,,,,,2.362,1.53,0.291,0.31,,0.204956,1.38,1.38375,1.42,4.002602,4.002603254
+3,Li,Lithium,1,2,2,1.28,1.5,1.45,1.81,,,2.2,,2.451,2.55,1.586,1.67,0.98,24.3,164,164.1125,1392,6.9675,7.016003437
+4,Be,Beryllium,2,2,1,0.96,1.15,1.05,,1.53,,1.9,,2.745,2.23,1.04,1.12,1.57,5.6,38,37.74,227,9.0121831,9.0121831
+5,B,Boron,13,2,2,0.84,,0.85,,1.92,,1.8,4.02,4.083,2.15,0.776,0.87,2.04,3.03,21,20.5,99.5,10.8135,11.00930536
+6,C,Carbon,14,2,3,0.7445337366,0.77,0.7,1.7,,1.77,1.7,3.8983,3.851,2.04,0.62,0.67,2.55,1.76,12,11.3,46.6,12.0106,12
+7,N,Nitrogen,15,2,4,0.71,0.65,0.65,1.55,,1.64,1.6,3.6621,3.66,1.93,0.521,0.56,3.04,1.1,7.4,7.4,24.2,14.006855,14.003074
+8,O,Oxygen,16,2,3,0.66,0.65,0.6,1.52,,1.58,1.55,3.4046,3.5,1.82,0.45,0.48,3.44,0.802,5.4,5.3,15.6,15.9994,15.99491462
+9,F,Fluorine,17,2,2,0.57,0.67,0.5,1.47,,1.46,1.5,3.472,3.364,1.71,0.396,0.42,3.98,0.557,3.8,3.74,9.52,18.99840316,18.99840316
+10,Ne,Neon,18,2,1,0.58,,,1.54,,1.81,,,3.243,1.6,0.354,0.38,,0.3956,2.67,2.6611,6.2,20.1797,19.99244018
+11,Na,Sodium,1,3,2,1.66,1.77,1.8,2.27,,1.76,2.4,,2.983,2.7,1.713,1.9,0.93,24.11,163,162.7,1518,22.98976928,22.98976928
+12,Mg,Magnesium,2,3,1,1.41,1.42,1.5,1.73,,1.87,2.2,,3.021,2.43,1.279,1.45,1.31,10.6,71,71.2,626,24.3055,23.9850417
+13,Al,Aluminium,13,3,2,1.21,1.35,1.25,,1.84,2.03,2.1,4.39,4.499,2.36,1.312,1.18,1.61,6.8,60,57.8,528,26.9815385,26.9815385
+14,Si,Silicon,14,3,3,1.11,1.17,1.1,2.1,,,2.1,4.27,4.295,2.29,1.068,1.11,1.9,5.38,37,37.3,305,28.085,27.97692653
+15,P,Phosphorus,15,3,4,1.07,,1,1.8,,,1.95,4.15,4.147,2.22,0.919,0.98,2.19,3.63,25,25,185,30.973762,30.973762
+16,S,Sulfur,16,3,3,1.05,1.02,1,1.8,,,1.8,4.03,4.035,2.15,0.81,0.88,2.58,2.9,19.6,19.4,134,32.0675,31.97207117
+17,Cl,Chlorine,17,3,2,1.02,1.05,1,1.75,,,1.8,3.9503,3.947,2.07,0.725,0.79,3.16,2.18,15,14.6,94.6,35.4515,34.96885268
+18,Ar,Argon,18,3,1,1.06,,,1.88,,,,,3.868,1.99,0.659,0.71,,1.6411,11.1,11.083,64.2,39.948,39.96238312
+19,K,Potassium,1,4,2,2.03,2.07,2.2,2.75,,,2.8,,3.812,3.09,2.162,2.43,0.82,43.4,294,289.7,3923,39.0983,38.96370649
+20,Ca,Calcium,2,4,1,1.76,1.7,1.8,,2.31,,2.4,,3.399,2.81,1.69,1.94,1,22.8,160,160.8,2163,40.078,39.96259086
+21,Sc,Scandium,3,4,2,1.7,,1.6,,,,2.3,,3.295,2.61,1.57,1.84,1.36,17.8,120,97,1383,44.955908,44.955908
+22,Ti,Titanium,4,4,3,1.6,1.4,1.4,,,,2.15,,3.175,2.39,1.477,1.76,1.54,14.6,98,100,1044,47.867,47.94794198
+23,V,Vanadium,5,4,4,1.53,,1.35,,,,2.05,,3.144,2.29,1.401,1.71,1.63,12.4,84,87,832,50.9415,50.94395704
+24,Cr,Chromium,6,4,7,1.39,1.4,1.4,,,,2.05,,3.023,2.25,1.453,1.66,1.66,11.6,78,83,602,51.9961,51.94050623
+25,Mn,Manganese,7,4,6,1.553504,1.47,1.4,,,,2.05,,2.961,2.24,1.278,1.61,1.55,9.4,63,68,552,54.938044,54.938044
+26,Fe,Iron,8,4,5,1.4841791045,1.4,1.4,,,,2.05,,2.912,2.23,1.227,1.56,1.83,8.4,56,62,482,55.845,55.93493633
+27,Co,Cobalt,9,4,4,1.2975449102,1.37,1.35,,,,2,,2.872,2.23,1.181,1.52,1.88,7.5,50,55,408,58.933194,58.933194
+28,Ni,Nickel,10,4,3,1.24,1.35,1.35,,,,2,,2.834,2.22,1.139,1.49,1.91,6.8,48,49,373,58.6934,57.93534241
+29,Cu,Copper,11,4,2,1.32,1.37,1.35,,,,2,,3.495,2.26,1.191,1.45,1.9,6.2,42,46.5,253,63.546,62.92959772
+30,Zn,Zinc,12,4,1,1.22,1.32,1.35,,,,2.1,,2.763,2.29,1.065,1.42,1.65,5.75,40,38.67,284,65.38,63.92914201
+31,Ga,Gallium,13,4,2,1.22,,1.3,1.87,,,2.1,4.39,4.383,2.46,1.254,1.36,1.81,8.12,60,50,498,69.723,68.9255735
+32,Ge,Germanium,14,4,3,1.2,,1.25,,2.11,,2.1,4.27,4.28,2.44,1.09,1.25,2.01,6.07,41,40,354,72.63,73.92117776
+33,As,Arsenic,15,4,4,1.19,1.26,1.15,1.85,,,2.05,4.15,4.23,2.36,1.001,1.14,2.18,4.31,29,30,246,74.921595,74.921595
+34,Se,Selenium,16,4,3,1.2,1.17,1.15,1.9,,,1.9,4.03,4.205,2.29,0.918,1.03,2.55,3.77,25,28.9,210,78.971,79.9165218
+35,Br,Bromine,17,4,2,1.2,1.19,1.15,1.83,,,1.9,3.95,4.189,2.22,0.851,0.94,2.96,3.05,20,21,162,79.904,78.9183376
+36,Kr,Krypton,18,4,1,1.16,,,2.02,,,,,4.141,2.15,0.795,0.88,,2.4844,16.7,16.78,130,83.798,83.91149773
+37,Rb,Rubidium,1,5,2,2.2,2.25,2.35,,3.03,,2.9,,4.114,3.25,2.287,2.65,0.82,47.3,320,319.8,4769,85.4678,84.91178974
+38,Sr,Strontium,2,5,1,1.95,1.95,2,,2.49,,2.55,,3.641,3,1.836,2.19,0.95,27.6,199,197.2,3175,87.62,87.9056125
+39,Y,Yttrium,3,5,2,1.9,,1.8,,,,2.4,,3.345,2.71,1.693,2.12,1.22,22.7,,162,,88.90584,88.90584
+40,Zr,Zirconium,4,5,3,1.75,,1.55,,,,2.3,,3.124,2.54,1.593,2.06,1.33,17.9,,112,,91.224,89.9046977
+41,Nb,Niobium,5,5,6,1.64,,1.45,,,,2.15,,3.165,2.43,1.589,1.98,,15.7,,98,,92.90637,92.90637
+42,Mo,Molybdenum,6,5,7,1.54,,1.45,,,,2.1,,3.052,2.39,1.52,1.9,2.16,12.8,,87,,95.95,97.90540482
+43,Tc,Technetium,7,5,6,1.47,,1.35,,,,2.05,,2.998,2.36,1.391,1.83,,11.4,,79,,97.9072124,97.9072124
+44,Ru,Ruthenium,8,5,5,1.46,,1.3,,,,2.05,,2.963,2.34,1.41,1.78,,9.6,,72,,101.07,101.9043441
+45,Rh,Rhodium,9,5,4,1.42,,1.35,,,,2,,2.929,2.34,1.364,1.73,2.28,8.6,,66,,102.9055,102.9055
+46,Pd,Palladium,10,5,1,1.39,,1.4,,,,2.05,,2.899,2.37,0.567,1.69,2.2,4.8,,26.14,,106.42,105.9034804
+47,Ag,Silver,11,5,2,1.45,1.77,1.6,,,,2.1,,3.148,2.43,1.286,1.65,1.93,7.2,,55,,107.8682,106.9050916
+48,Cd,Cadmium,12,5,1,1.44,1.6,1.55,,,,2.2,,2.848,2.5,1.184,1.61,1.69,7.36,,46,,112.414,113.9033651
+49,In,Indium,13,5,2,1.42,,1.55,1.93,,,2.2,4.59,4.463,2.64,1.382,1.56,1.78,10.2,75,65,779,114.818,114.818
+50,Sn,Tin,14,5,3,1.39,1.4,1.45,2.17,,,2.25,4.47,4.392,2.59,1.24,1.45,1.96,7.7,60,53,659,118.71,119.9022016
+51,Sb,Antimony,15,5,4,1.39,1.4,1.45,,2.06,,2.2,4.35,4.42,2.52,1.193,1.33,2.05,6.6,44,43,492,121.76,120.903812
+52,Te,Tellurium,16,5,3,1.38,1.33,1.4,2.06,,,2.1,4.23,4.47,2.44,1.111,1.23,,5.5,40,38,445,127.6,129.9062227
+53,I,Iodine,17,5,2,1.39,1.4,1.4,1.98,,,2.1,4.15,4.5,2.36,1.044,1.15,2.66,5.35,35,32.9,385,126.90447,126.90447
+54,Xe,Xenon,18,5,1,1.4,,,2.16,,,,,4.404,2.28,0.986,1.08,,4.044,,27.32,,131.293,131.9041551
+55,Cs,Caesium,1,6,2,2.44,2.37,2.6,,3.43,,3,,4.517,3.44,2.518,2.98,0.79,59.42,,400.9,,132.905452,132.905452
+56,Ba,Barium,2,6,1,2.15,2.1,2.15,,2.68,,2.7,,3.703,3.07,2.06,2.53,0.89,39.7,,272,,137.327,137.905247
+57,La,Lanthanum,,6,2,2.07,,1.95,,,,2.5,,3.522,2.78,1.915,,1.1,31.1,,215,,138.90547,138.9063563
+58,Ce,Cerium,,6,1,2.04,,1.85,,,,,,3.556,2.74,1.978,,,29.6,,205,,140.116,139.9054431
+59,Pr,Praseodymium,,6,4,2.03,,1.85,,,,,,3.606,2.73,1.942,2.47,1.13,28.2,,216,,140.90766,140.90766
+60,Nd,Neodymium,,6,5,2.01,,1.85,,,,,,3.575,2.73,1.912,2.06,1.14,31.4,,208,,144.242,141.907729
+61,Pm,Promethium,,6,6,1.99,,1.85,,,,,,3.547,2.72,1.882,2.05,,30.1,,200,,144.9127559,144.9127559
+62,Sm,Samarium,,6,7,1.98,,1.85,,,,,,3.52,2.71,1.854,2.38,1.17,28.8,,192,,150.36,151.9197397
+63,Eu,Europium,,6,8,1.98,,1.85,,,,,,3.493,2.94,1.826,2.31,,27.7,,184,,151.964,152.921238
+64,Gd,Gadolinium,,6,9,1.96,,1.8,,,,,,3.368,2.71,1.713,2.33,1.2,23.5,,158,,157.25,157.9241123
+65,Tb,Terbium,,6,6,1.94,,1.75,,,,,,3.451,2.7,1.775,2.25,,25.5,,170,,158.92535,158.92535
+66,Dy,Dysprosium,,6,5,1.92,,1.75,,,,,,3.428,2.9,1.75,2.28,1.22,24.5,,163,,162.5,163.9291819
+67,Ho,Holmium,,6,4,1.92,,1.75,,,,,,3.409,2.67,1.727,2.26,1.23,23.6,,156,,164.93033,164.93033
+68,Er,Erbium,,6,3,1.89,,1.75,,,,,,3.391,2.67,1.703,2.26,1.24,22.7,,150,,167.259,165.9302995
+69,Tm,Thulium,,6,2,1.9,,1.75,,,,,,3.374,2.67,1.681,2.22,1.25,21.8,,144,,168.93422,168.93422
+70,Yb,Ytterbium,,6,1,1.87,,1.75,,,,,,3.355,2.79,1.658,2.22,,21,,139,,173.054,173.9388664
+71,Lu,Lutetium,3,6,2,1.87,,1.75,,,,,,3.64,2.65,1.553,2.17,1.27,21.9,,137,,174.9668,174.9407752
+72,Hf,Hafnium,4,6,3,1.75,,1.55,,,,2.25,,3.141,2.53,1.476,2.08,,16.2,,103,,178.49,179.946557
+73,Ta,Tantalum,5,6,4,1.7,,1.45,,,,2.2,,3.17,2.43,1.413,2,,13.1,,74,,180.94788,180.9479958
+74,W,Tungsten,6,6,5,1.62,,1.35,,,,2.1,,3.096,2.39,1.36,1.93,2.36,11.1,,68,,183.84,183.9509309
+75,Re,Rhenium,7,6,6,1.51,,1.35,,,,2.05,,2.954,2.37,1.31,1.88,,9.7,,62,,186.207,186.9557501
+76,Os,Osmium,8,6,5,1.44,,1.3,,,,2,,3.12,2.35,1.266,1.85,,8.5,,57,,190.23,191.961477
+77,Ir,Iridium,9,6,4,1.41,,1.35,,,,2,,2.84,2.36,1.227,1.8,2.2,7.6,,54,,192.217,192.9629216
+78,Pt,Platinum,10,6,3,1.36,,1.35,,,,2.05,,2.754,2.39,1.221,1.77,2.28,6.5,,48,,195.084,194.9647917
+79,Au,Gold,11,6,2,1.36,,1.35,,,,2.1,,3.293,2.43,1.187,1.74,2.54,5.8,,36,,196.966569,196.966569
+80,Hg,Mercury,12,6,1,1.32,,1.5,,,,2.05,,2.705,2.53,1.126,1.71,2,5.02,,33.91,,200.592,201.9706434
+81,Tl,Thallium,13,6,2,1.45,1.9,1.9,1.96,,,2.2,,4.347,2.59,1.319,1.56,2.04,7.6,,50,,204.3835,204.9744278
+82,Pb,Lead,14,6,3,1.46,,,2.02,,,2.3,,4.297,2.74,1.215,1.54,2.33,6.8,,47,,207.2,207.9766525
+83,Bi,Bismuth,15,6,4,1.48,1.48,1.6,,2.07,,2.3,,4.37,2.66,1.295,1.43,2.02,7.4,,48,,208.9804,208.9804
+84,Po,Polonium,16,6,3,1.4,,1.9,,1.97,,,,4.709,2.59,1.212,1.35,,6.8,,44,,208.9824308,208.9824308
+85,At,Astatine,17,6,2,1.5,,,,2.02,,,,4.75,2.51,1.146,1.27,,6,,42,,209.9871479,209.9871479
+86,Rn,Radon,18,6,1,1.5,,,,2.2,,,,4.765,2.43,1.09,1.2,,5.3,,35,,222.0175782,222.0175782
+87,Fr,Francium,1,7,2,2.6,,,,3.48,,,,4.9,3.64,2.447,,,47.1,,317.8,,223.019736,223.019736
+88,Ra,Radium,2,7,1,2.21,,2.15,,2.83,,,,3.677,3.27,2.042,,,38.3,,246,,226.0254103,226.0254103
+89,Ac,Actinium,,7,2,2.15,,1.95,,,,,,3.478,3.08,1.895,,,32.1,,203,,227.0277523,227.0277523
+90,Th,Thorium,,7,3,2.06,,1.8,,,,2.4,,3.396,2.74,1.788,,,32.1,,217,,232.0377,232.0377
+91,Pa,Protactinium,,7,4,2,,1.8,,,,,,3.424,2.64,1.804,,,25.4,,154,,231.03588,231.03588
+92,U,Uranium,,7,5,1.96,,1.75,,,,2.3,,3.395,2.52,1.775,,1.38,24.9,,129,,238.02891,238.0507884
+93,Np,Neptunium,,7,6,1.9,,1.75,,,,,,3.424,2.52,1.741,,1.36,24.8,,151,,237.0481736,237.0481736
+94,Pu,Plutonium,,7,7,1.87,,1.75,,,,,,3.424,2.52,1.784,,1.28,24.5,,132,,244.0642053,244.0642053
+95,Am,Americium,,7,8,1.8,,1.75,,,,,,3.381,,1.757,,,23.3,,131,,243.0613813,243.0613813
+96,Cm,Curium,,7,9,1.69,,,,,,,,3.326,,1.657,,,23,,144,,247.0703541,247.0703541
+97,Bk,Berkelium,,7,6,,,,,,,,,3.339,,1.626,,,22.7,,125,,247.0703073,247.0703073
+98,Cf,Californium,,7,5,,,,,,,,,3.313,,1.598,,,20.5,,122,,251.0795886,251.0795886
+99,Es,Einsteinium,,7,4,,,,,,,,,3.299,,1.576,,,19.7,,118,,252.08298,252.08298
+100,Fm,Fermium,,7,3,,,,,,,,,3.286,,1.557,,,23.8,,113,,257.0951061,257.0951061
+101,Md,Mendelevium,,7,2,,,,,,,,,3.274,,1.527,,,18.2,,109,,258.0984315,258.0984315
+102,No,Nobelium,,7,1,,,,,,,,,3.248,,1.581,,,17.5,,110,,259.10103,259.10103
+103,Lr,Lawrencium,3,7,2,,,,,,,,,3.236,,,,,,,320,,262.10961,262.10961
+104,Rf,Rutherfordium,4,7,3,,,,,,,,,,,,,,,,112,,267.12179,267.12179
+105,Db,Dubnium,5,7,4,,,,,,,,,,,,,,,,42,,268.12567,268.12567
+106,Sg,Seaborgium,6,7,5,,,,,,,,,,,,,,,,40,,271.13393,271.13393
+107,Bh,Bohrium,7,7,6,,,,,,,,,,,,,,,,38,,272.13826,272.13826
+108,Hs,Hassium,8,7,5,,,,,,,,,,,,,,,,36,,270.13429,270.13429
+109,Mt,Meitnerium,9,7,4,,,,,,,,,,,,,,,,34,,276.15159,276.15159
+110,Ds,Darmstadtium,10,7,3,,,,,,,,,,,,,,,,32,,281.16451,281.16451
+111,Rg,Roentgenium,11,7,2,,,,,,,,,,,,,,,,32,,280.16514,280.16514
+112,Cn,Copernicium,12,7,1,,,,,,,,,,,,,,,,28,,285.17712,285.17712
+113,Nh,Nihonium,13,7,2,,,,,,,,,,,,,,,,29,,284.17873,284.17873
+114,Fl,Flerovium,14,7,3,,,,,,,,,,,,,,,,31,,289.19042,289.19042
+115,Mc,Moscovium,15,7,4,,,,,,,,,,,,,,,,71,,288.19274,288.19274
+116,Lv,Livermorium,16,7,3,,,,,,,,,,,,,,,,,,293.20449,293.20449
+117,Ts,Tennessine,17,7,2,,,,,,,,,,,,,,,,76,,292.20746,292.20746
+118,Og,Oganesson,18,7,1,,,,,,,,,,,,,,,,58,,294.21392,294.21392


Test patch:
diff --git a/atomdb/test/test_nist.py b/atomdb/test/test_nist.py
index b2ec2c92..04359095 100644
--- a/atomdb/test/test_nist.py
+++ b/atomdb/test/test_nist.py
@@ -34,7 +34,7 @@
             #     "mm3": 1.62 * angstrom,
             # },
             "at_radius": {"wc": 0.529192875 * ANGSTROM, "cr": 0.53 * ANGSTROM},
-            "polarizability": {"crc": 0.666793 * ANGSTROM**3, "chu": 4.5},
+            "polarizability": {"crc": 0.666793 * ANGSTROM**3, "chu": 4.5, "sn": 4.50711},
             "dispersion_c6": {"chu": 6.499026705},
             "energy": -109678.77174307 * CMINV,
             "ip": 13.598443 * EV,
@@ -68,7 +68,7 @@
             #     "mm3": 2.04 * angstrom,
             # },
             "at_radius": {"wc": 0.62 * ANGSTROM, "cr": 0.67 * ANGSTROM},
-            "polarizability": {"crc": 1.76 * ANGSTROM**3, "chu": 12.0},
+            "polarizability": {"crc": 1.76 * ANGSTROM**3, "chu": 12.0, "sn": 11.3},
             "dispersion_c6": {"chu": 46.6},
             "energy": -8308396.1899999995 * CMINV,
             "ip": 11.2603 * EV,
diff --git a/atomdb/test/test_periodic.py b/atomdb/test/test_periodic.py
index ed41e750..3c280d92 100644
--- a/atomdb/test/test_periodic.py
+++ b/atomdb/test/test_periodic.py
@@ -71,7 +71,7 @@ def test_get_attributes():
         },
         "at_radius": {"wc": 0.529192875 * ANGSTROM, "cr": 0.53 * ANGSTROM},
         "eneg": {"pauling": 2.2},
-        "pold": {"crc": 0.666793 * ANGSTROM**3, "chu": 4.5},
+        "pold": {"crc": 0.666793 * ANGSTROM**3, "chu": 4.5, "sn": 4.50711},
         "c6": {"chu": 6.499026705},
         "mass": {"stb": 1.007975 * AMU, "nist": 1.007825032 * AMU},
     }
@@ -98,7 +98,7 @@ def test_get_attributes():
         },
         "at_radius": {"wc": 0.62 * ANGSTROM, "cr": 0.67 * ANGSTROM},
         "eneg": {"pauling": 2.55},
-        "pold": {"crc": 1.76 * ANGSTROM**3, "chu": 12.0},
+        "pold": {"crc": 1.76 * ANGSTROM**3, "chu": 12.0, "sn": 11.3},
         "c6": {"chu": 46.6},
         "mass": {"stb": 12.0106 * AMU, "nist": 12.000 * AMU},
     }