ASE database

Displaying rows 1-17 out of 17

↓ ID ✕	Formula ✕	Age ✕
1	C₆₀H₃₆	5y
2	C₆₀H₃₆	5y
3	C₆₀H₃₆	5y
4	C₆₀H₃₆	5y
5	C₆₀H₃₆	5y
6	C₆₀H₃₆	5y
7	C₆₀H₃₆	5y
8	C₆₀H₃₆	5y
9	C₆₀H₃₆	5y
10	C₆₀H₃₆	5y
11	C₆₀H₃₆	5y
12	C₆₀H₃₆	5y
13	C₆₀H₃₆	5y
14	C₆₀H₃₆	5y
15	C₆₀H₃₆	5y
16	C₆₀H₃₆	5y
17	C₆₀H₃₆	5y
18	C₆₀H₃₆	5y
19	C₆₀H₃₆	5y
20	C₆₀H₃₆	5y
21	C₆₀H₃₆	5y
22	C₆₀H₃₆	5y
23	C₆₀H₃₆	5y
24	C₆₀H₃₆	5y
25	C₆₀H₃₆	5y
26	C₆₀H₃₆	5y
27	C₆₀H₃₆	5y
28	C₆₀H₃₆	5y
29	C₆₀H₃₆	5y
30	C₆₀H₃₆	5y
31	C₆₀H₃₆	5y
32	C₆₀H₃₆	5y
33	C₆₀H₃₆	5y
34	C₆₀H₃₆	5y
35	C₆₀H₃₆	5y
36	C₆₀H₃₆	5y
37	C₆₀H₃₆	5y
38	C₆₀H₃₆	5y
39	C₆₀H₃₆	5y
40	C₆₀H₃₆	5y
41	C₆₀H₃₆	5y
42	C₆₀H₃₆	5y
43	C₆₀H₃₆	5y
44	C₆₀H₃₆	5y
45	C₆₀H₃₆	5y
46	C₆₀H₃₆	5y
47	C₆₀H₃₆	5y
48	C₆₀H₃₆	5y
49	C₆₀H₃₆	5y
50	C₆₀H₃₆	5y
51	C₆₀H₃₆	5y
52	C₆₀H₃₆	5y
53	C₆₀H₃₆	5y
54	C₆₀H₃₆	5y
55	C₆₀H₃₆	5y
56	C₆₀H₃₆	5y
57	C₆₀H₃₆	5y
58	C₆₀H₃₆	5y
59	C₆₀H₃₆	5y
60	C₆₀H₃₆	5y
61	C₆₀H₃₆	5y
62	C₆₀H₃₆	5y
63	C₆₀H₃₆	5y
64	C₆₀H₃₆	5y
65	C₆₀H₃₆	5y
66	C₆₀H₃₆	5y
67	C₆₀H₃₆	5y
68	C₆₀H₃₆	5y
69	C₆₀H₃₆	5y
70	C₆₀H₃₆	5y
71	C₆₀H₃₆	5y
72	C₆₀H₃₆	5y
73	C₆₀H₃₆	5y
74	C₆₀H₃₆	5y
75	C₆₀H₃₆	5y
76	C₆₀H₃₆	5y
77	C₆₀H₃₆	5y
78	C₆₀H₃₆	5y
79	C₆₀H₃₆	5y
80	C₆₀H₃₆	5y
81	C₆₀H₃₆	5y
82	C₆₀H₃₆	5y
83	C₆₀H₃₆	5y
84	C₆₀H₃₆	5y
85	C₆₀H₃₆	5y
86	C₆₀H₃₆	5y
87	C₆₀H₃₆	5y
88	C₆₀H₃₆	5y
89	C₆₀H₃₆	5y
90	C₆₀H₃₆	5y
91	C₆₀H₃₆	5y
92	C₆₀H₃₆	5y
93	C₆₀H₃₆	5y
94	C₆₀H₃₆	5y
95	C₆₀H₃₆	5y
96	C₆₀H₃₆	5y
97	C₆₀H₃₆	5y
98	C₆₀H₃₆	5y
99	C₆₀H₃₆	5y
100	C₆₀H₃₆	5y

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
id	Uniqe row ID
magmom	Magnetic moment	au
mass	Sum of atomic masses in unit cell	au
natoms	Number of atoms
pbc	Periodic boundary conditions
perms_num
perms_number
smax	Maximum stress on unit cell	eV/Ang³
unique_id	Random (unique) ID
user	Username
volume	Volume of unit cell	Ang³