Results from calculations



Results:


element Atomic Number Pseudo DFT energy per atom COD_ID
H1H-1.06469000 9011566
He2He-0.01175600 9008500
Li3Li_sv-1.90603000 9008473
Be4Be_sv-3.73511000 9008488
B5B-6.67818000 1512492
C6C-9.20869000 1011060
N7N-8.33400000 9008571
O8O-3.93946000 1512527
F9F-1.86308000 9012106
Ne10Ne-0.02538730 1010148
Na11Na_pv-1.31123000 9008507
Mg12Mg_pv-1.60184000 9008506
Al13Al-3.74421000 2300250
Si14Si-5.42477000 9008565
P15P-5.36152000 9008572
S16S-3.27709000 9011640
Cl17Cl-1.55332000 1010068
Ar18Ar-0.07060470 9008462
K19K_sv-1.09968000 9008539
Ca20Ca_sv-2.00388000 9008464
Sc21Sc_sv-6.28915000 9008483
Ti22Ti_pv-7.89157000 9008517
V23V_sv-9.12161000 4302557
Cr24Cr_pv-9.63181000 5000220
Mn25Mn_pv-9.01597000 9008592
Fe26Fe_pv-8.45647000 2300202
Co27Co-6.90946000 9008466
Ni28Ni_pv-5.78123000 2100637
Cu29Cu_pv-4.09691000 5000216
Zn30Zn-1.25720000 9008522
Ga31Ga_d-3.02465000 9008562
Ge32Ge_d-4.28543000 7101738
As33As-2.83048000 9008574
Se34Se-3.48186000 9008579
Br35Br-1.56573000 9008594
Kr36Kr-0.05516730 9008471
Rb37Rb_sv-0.96558900 9008549
Sr38Sr_sv-1.68639000 9008484
Y39Y_sv-6.46973000 9008521
Zr40Zr_sv-8.54733000 9008523
Nb41Nb_pv-10.09280000 9008546
Mo42Mo_pv-10.84720000 9008543
Tc43Tc_pv-10.36470000 1512545
Ru44Ru_pv-9.27307000 9008513
Rh45Rh_pv-7.34650000 9008482
Pd46Pd-5.18679000 9008478
Ag47Ag-2.82993000 9008459
Cd48Cd-0.89956300 9008490
In49In_d-2.71872000 2100456
Sn50Sn_d-4.00760000 9008568
Sb51Sb-2.63888000 9008575
Te52Te-3.14165000 1011098
I53I-1.48294000 9008595
Xe54Xe-0.03519450 9012405
Cs55Cs_sv-0.85640600 9008532
Ba56Ba_sv-1.92687000 9008528
La57La-4.89983000 9008503
Ce58Ce-5.83102000 9008491
Pr59Pr_3-4.75209000 9008511
Nd60Nd_3-4.74071000 9008508
Pm61Pm_3-4.72321000 0
Sm62Sm_3-4.71383000 9014498
Eu63Eu-4.82021000 9008534
Gd64Gd-13.87210000 9008498
Tb65Tb_3-4.62010000 9008516
Dy66Dy_3-4.59568000 9008494
Ho67Ho_3-4.57624000 9008502
Er68Er_3-4.56545000 9008496
Tm69Tm_3-4.47741000 9008520
Yb70Yb-1.56806000 9008487
Lu71Lu_3-4.52549000 9008505
Hf72Hf_pv-9.95561000 9008501
Ta73Ta_pv-11.85690000 9008552
W74W_pv-12.95670000 9008558
Re75Re_pv-12.44540000 9008512
Os76Os_pv-11.22430000 9008510
Ir77Ir-8.85394000 9008470
Pt78Pt-6.06133000 9008480
Au79Au-3.27354000 9008463
Hg80Hg-0.29563100 1512511
Tl81Tl_d-2.36467000 9008518
Pb82Pb_d-3.56268000 9008477
Bi83Bi_d-4.03962000 9008576
Ac89Ac-4.09956000 9008458
Th90Th-7.41690000 9008485
Pa91Pa-9.47999000 2310022
U92U-11.02080000 9008556
Np93Np-12.50180000 9008547
Pu94Pu-13.27740000 9008481

 

--- Created by Thomas Archer, Trinity College, Dublin ---