ASE database

Displaying rows 1-25 out of 414

↓ ID ✕	Formula ✕	Energy ✕	delta_charge_bader ✕
1	Cu₄₈N	-193.568	1.087
2	Cu₄₈N	-191.730	0.639
3	Cu₄₈N	-193.479	0.756
4	Cu₄₈F	-190.260	0.713
5	Cu₄₈F	-191.257	0.647
6	Cu₄₈F	-191.759	0.690
7	Cu₄₈O	-192.145	1.050
8	Cu₄₈O	-191.780	0.713
9	Cu₄₈O	-193.280	0.866
10	Cu₄₈B	-191.803	0.264
11	Cu₄₈B	-190.274	0.039
12	Cu₄₈B	-191.672	0.021
13	Cu₄₈C	-193.425	0.871
14	Cu₄₈C	-191.291	0.435
15	Cu₄₈C	-193.011	0.508
16	Cu₄₈N	-185.090	1.121
17	Cu₄₈N	-185.935	0.985
18	Cu₄₈N	-183.344	0.623
19	Cu₄₈N	-185.087	1.111
20	Cu₄₈F	-182.123	0.736
21	Cu₄₈F	-183.516	0.697
22	Cu₄₈F	-183.493	0.695
23	Cu₄₈F	-183.214	0.637
24	Cu₄₈O	-184.198	1.008
25	Cu₄₈O	-184.799	0.864

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