ASE database

Displaying rows 1-200 out of 414

↓ ID ✕	Formula ✕	Number of atoms ✕
1	BC₁₄N	16
2	BC₁₄N	16
3	BC₁₄N	16
4	BC₁₄N	16
5	B₂C₁₂N₂	16
6	B₂C₁₂N₂	16
7	B₂C₁₂N₂	16
8	B₂C₁₂N₂	16
9	B₂C₁₂N₂	16
10	B₂C₁₂N₂	16
11	B₂C₁₂N₂	16
12	B₂C₁₂N₂	16
13	B₂C₁₂N₂	16
14	B₂C₁₂N₂	16
15	B₂C₁₂N₂	16
16	B₂C₁₂N₂	16
17	B₂C₁₂N₂	16
18	B₂C₁₂N₂	16
19	B₂C₁₂N₂	16
20	B₂C₁₂N₂	16
21	B₂C₁₂N₂	16
22	B₂C₁₂N₂	16
23	B₃C₁₀N₃	16
24	B₃C₁₀N₃	16
25	B₃C₁₀N₃	16
26	B₃C₁₀N₃	16
27	B₃C₁₀N₃	16
28	B₃C₁₀N₃	16
29	B₃C₁₀N₃	16
30	B₃C₁₀N₃	16
31	B₃C₁₀N₃	16
32	B₃C₁₀N₃	16
33	B₃C₁₀N₃	16
34	B₃C₁₀N₃	16
35	B₃C₁₀N₃	16
36	B₃C₁₀N₃	16
37	B₃C₁₀N₃	16
38	B₃C₁₀N₃	16
39	B₃C₁₀N₃	16
40	B₃C₁₀N₃	16
41	B₃C₁₀N₃	16
42	B₃C₁₀N₃	16
43	B₃C₁₀N₃	16
44	B₃C₁₀N₃	16
45	B₃C₁₀N₃	16
46	B₃C₁₀N₃	16
47	B₃C₁₀N₃	16
48	B₃C₁₀N₃	16
49	B₃C₁₀N₃	16
50	B₃C₁₀N₃	16
51	B₃C₁₀N₃	16
52	B₃C₁₀N₃	16
53	B₃C₁₀N₃	16
54	B₃C₁₀N₃	16
55	B₄C₈N₄	16
56	B₄C₈N₄	16
57	B₄C₈N₄	16
58	B₄C₈N₄	16
59	B₄C₈N₄	16
60	B₄C₈N₄	16
61	B₄C₈N₄	16
62	B₄C₈N₄	16
63	B₄C₈N₄	16
64	B₄C₈N₄	16
65	B₄C₈N₄	16
66	B₄C₈N₄	16
67	B₄C₈N₄	16
68	B₄C₈N₄	16
69	B₄C₈N₄	16
70	B₄C₈N₄	16
71	B₄C₈N₄	16
72	B₄C₈N₄	16
73	B₄C₈N₄	16
74	B₄C₈N₄	16
75	B₄C₈N₄	16
76	B₄C₈N₄	16
77	B₄C₈N₄	16
78	B₄C₈N₄	16
79	B₄C₈N₄	16
80	B₄C₈N₄	16
81	B₄C₈N₄	16
82	B₄C₈N₄	16
83	B₄C₈N₄	16
84	B₄C₈N₄	16
85	B₄C₈N₄	16
86	B₄C₈N₄	16
87	B₄C₈N₄	16
88	B₄C₈N₄	16
89	B₄C₈N₄	16
90	B₄C₈N₄	16
91	B₄C₈N₄	16
92	B₄C₈N₄	16
93	B₄C₈N₄	16
94	B₄C₈N₄	16
95	B₄C₈N₄	16
96	B₅C₆N₅	16
97	B₅C₆N₅	16
98	B₅C₆N₅	16
99	B₅C₆N₅	16
100	B₅C₆N₅	16
101	B₅C₆N₅	16
102	B₅C₆N₅	16
103	B₅C₆N₅	16
104	B₅C₆N₅	16
105	B₅C₆N₅	16
106	B₅C₆N₅	16
107	B₅C₆N₅	16
108	B₅C₆N₅	16
109	B₅C₆N₅	16
110	B₅C₆N₅	16
111	B₅C₆N₅	16
112	B₅C₆N₅	16
113	B₅C₆N₅	16
114	B₅C₆N₅	16
115	B₆C₄N₆	16
116	B₆C₄N₆	16
117	B₆C₄N₆	16
118	B₆C₄N₆	16
119	B₆C₄N₆	16
120	B₆C₄N₆	16
121	B₆C₄N₆	16
122	B₆C₄N₆	16
123	B₆C₄N₆	16
124	B₇C₂N₇	16
125	B₇C₂N₇	16
126	B₈N₈	16
127	C₁₆	16

C_rate
age	Time since creation
calculator	ASE-calculator name
charge	Net charge in unit cell	\|e\|
energy	Total energy	eV
fmax	Maximum force	eV/Ang
formula	Chemical formula
gap
id	Uniqe row ID
magmom	Magnetic moment	au
mass	Sum of atomic masses in unit cell	au
mean_energy
natoms	Number of atoms
pbc	Periodic boundary conditions
smax	Maximum stress on unit cell	eV/Ang³
unique_id	Random (unique) ID
user	Username
volume	Volume of unit cell	Ang³