NIST
The National Institute of Standards and Technology (NIST) supplies Carsus with atomic weights, ionization energies and ground levels configurations.
Atomic Weights
Provided by the NIST Atomic Weights and Isotopic Compositions Database.
Warning:
Carsus does not support unstable atoms with atomic numbers greater than 94
[1]:
from carsus.io.nist import NISTWeightsComp
ChiantiPy version 0.15.2
found PyQt5 widgets
using PyQt5 widgets
[ py.warnings][WARNING] - <frozen genericpath>:39: RuntimeWarning: bool is used as a file descriptor
(warnings.py:110)
[2]:
nist_weights = NISTWeightsComp('H-O')
[ carsus.io.nist.weightscomp][ INFO] - Downloading data from the carsus-dat-nist repository (weightscomp.py:69)
[ py.warnings][WARNING] - /home/runner/micromamba/envs/carsus/lib/python3.13/site-packages/urllib3/connectionpool.py:1097: InsecureRequestWarning: Unverified HTTPS request is being made to host 'raw.githubusercontent.com'. Adding certificate verification is strongly advised. See: https://urllib3.readthedocs.io/en/latest/advanced-usage.html#tls-warnings
warnings.warn(
(warnings.py:110)
[ py.warnings][WARNING] - /home/runner/micromamba/envs/carsus/lib/python3.13/site-packages/uncertainties/core.py:1024: UserWarning: Using UFloat objects with std_dev==0 may give unexpected results.
warn("Using UFloat objects with std_dev==0 may give unexpected results.")
(warnings.py:110)
[3]:
nist_weights.base
[3]:
| 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 |
Ionization Energies and Ground Levels
Provided by the NIST Atomic Spectra Database.
[4]:
from carsus.io.nist import NISTIonizationEnergies
[5]:
nist_ioniz = NISTIonizationEnergies('H-O')
[ carsus.io.nist.ionization][ INFO] - Downloading ionization energies from the carsus-data-nist repo. (ionization.py:87)
[ py.warnings][WARNING] - /home/runner/micromamba/envs/carsus/lib/python3.13/site-packages/urllib3/connectionpool.py:1097: InsecureRequestWarning: Unverified HTTPS request is being made to host 'raw.githubusercontent.com'. Adding certificate verification is strongly advised. See: https://urllib3.readthedocs.io/en/latest/advanced-usage.html#tls-warnings
warnings.warn(
(warnings.py:110)
[6]:
nist_ioniz.base
[6]:
atomic_number ion_charge
1 0 13.598435
2 0 24.587389
1 54.417766
3 0 5.391715
1 75.640097
2 122.454359
4 0 9.322699
1 18.211150
2 153.896205
3 217.718585
5 0 8.298019
1 25.154830
2 37.930590
3 259.374379
4 340.226022
6 0 11.260288
1 24.383143
2 47.887780
3 64.493520
4 392.090560
5 489.993208
7 0 14.534130
1 29.601250
2 47.445300
3 77.473500
4 97.890100
5 552.067410
6 667.046138
8 0 13.618055
1 35.121120
2 54.935540
3 77.413500
4 113.899000
5 138.118900
6 739.326970
7 871.409914
Name: ionization_energy, dtype: float64
[7]:
nist_ioniz.get_ground_levels()
[7]:
| atomic_number | ion_charge | g | energy | |
|---|---|---|---|---|
| 0 | 1 | 0 | 2 | 0.0 |
| 1 | 2 | 0 | 1 | 0.0 |
| 2 | 2 | 1 | 2 | 0.0 |
| 3 | 3 | 0 | 2 | 0.0 |
| 4 | 3 | 1 | 1 | 0.0 |
| 5 | 3 | 2 | 2 | 0.0 |
| 6 | 4 | 0 | 1 | 0.0 |
| 7 | 4 | 1 | 2 | 0.0 |
| 8 | 4 | 2 | 1 | 0.0 |
| 9 | 4 | 3 | 2 | 0.0 |
| 10 | 5 | 0 | 2 | 0.0 |
| 11 | 5 | 1 | 1 | 0.0 |
| 12 | 5 | 2 | 2 | 0.0 |
| 13 | 5 | 3 | 1 | 0.0 |
| 14 | 5 | 4 | 2 | 0.0 |
| 15 | 6 | 0 | 1 | 0.0 |
| 16 | 6 | 1 | 2 | 0.0 |
| 17 | 6 | 2 | 1 | 0.0 |
| 18 | 6 | 3 | 2 | 0.0 |
| 19 | 6 | 4 | 1 | 0.0 |
| 20 | 6 | 5 | 2 | 0.0 |
| 21 | 7 | 0 | 4 | 0.0 |
| 22 | 7 | 1 | 1 | 0.0 |
| 23 | 7 | 2 | 2 | 0.0 |
| 24 | 7 | 3 | 1 | 0.0 |
| 25 | 7 | 4 | 2 | 0.0 |
| 26 | 7 | 5 | 1 | 0.0 |
| 27 | 7 | 6 | 2 | 0.0 |
| 28 | 8 | 0 | 5 | 0.0 |
| 29 | 8 | 1 | 4 | 0.0 |
| 30 | 8 | 2 | 1 | 0.0 |
| 31 | 8 | 3 | 2 | 0.0 |
| 32 | 8 | 4 | 1 | 0.0 |
| 33 | 8 | 5 | 2 | 0.0 |
| 34 | 8 | 6 | 1 | 0.0 |
| 35 | 8 | 7 | 2 | 0.0 |