# Hidden cell (check metadata)
import warnings
warnings.simplefilter('ignore')
Import the NISTWeightsComp
and NISTIonizationEnergies
classes.
from carsus.io.nist import NISTWeightsComp, NISTIonizationEnergies
Initialize classes passing the selected atoms as arguments.
nist_weights = NISTWeightsComp('H-Ne')
Downloading data from the NIST Atomic Weights and Isotopic Compositions database.
nist_ioniz = NISTIonizationEnergies('H-Ne')
Downloading ionization energies from the NIST Atomic Spectra Database
Data is stored in the base
attribute.
nist_weights.base
symbol | name | mass | |
---|---|---|---|
atomic_number | |||
1 | H | Hydrogen | 1.007975 |
2 | He | Helium | 4.002602 |
3 | Li | Lithium | 6.967500 |
4 | Be | Beryllium | 9.012183 |
5 | B | Boron | 10.813500 |
6 | C | Carbon | 12.010600 |
7 | N | Nitrogen | 14.006855 |
8 | O | Oxygen | 15.999400 |
9 | F | Fluorine | 18.998403 |
10 | Ne | Neon | 20.179700 |
nist_ioniz.base
atomic_number ion_number 1 1 13.598434 2 1 24.587389 2 54.417765 3 1 5.391715 2 75.640096 3 122.454358 4 1 9.322699 2 18.211150 3 153.896203 4 217.718584 5 1 8.298019 2 25.154830 3 37.930580 4 259.371500 5 340.226020 6 1 11.260288 2 24.383154 3 47.887780 4 64.493520 5 392.090515 6 489.993194 7 1 14.534130 2 29.601250 3 47.445300 4 77.473500 5 97.890100 6 552.067320 7 667.046116 8 1 13.618055 2 35.121120 3 54.935540 4 77.413500 5 113.899000 6 138.118900 7 739.326820 8 871.409880 9 1 17.422820 2 34.970810 3 62.707980 4 87.175000 5 114.249000 6 157.163110 7 185.186800 8 953.898040 9 1103.117470 10 1 21.564540 2 40.962970 3 63.423300 4 97.190000 5 126.247000 6 157.934000 7 207.271000 8 239.097000 9 1195.807830 10 1362.199150 Name: ionization_energy, dtype: float64
Dump the data with the to_hdf
method.
nist_weights.to_hdf('test.h5')
nist_ioniz.to_hdf('test.h5')