ASE database

Displaying rows 1-100 out of 127

↓ ID ✕	Formula ✕	Number of atoms ✕
1	C₆₀H₁₈	78
2	C₆₀H₁₈	78
3	C₆₀H₁₈	78
4	C₆₀H₁₈	78
5	C₆₀H₁₈	78
6	C₆₀H₁₈	78
7	C₆₀H₁₈	78
8	C₆₀H₁₈	78
9	C₆₀H₁₈	78
10	C₆₀H₁₈	78
11	C₆₀H₁₈	78
12	C₆₀H₁₈	78
13	C₆₀H₁₈	78
14	C₆₀H₁₈	78
15	C₆₀H₁₈	78
16	C₆₀H₁₈	78
17	C₆₀H₁₈	78
18	C₆₀H₁₈	78
19	C₆₀H₁₈	78
20	C₆₀H₁₈	78
21	C₆₀H₁₈	78
22	C₆₀H₁₈	78
23	C₆₀H₁₈	78
24	C₆₀H₁₈	78
25	C₆₀H₁₈	78
26	C₆₀H₁₈	78
27	C₆₀H₁₈	78
28	C₆₀H₁₈	78
29	C₆₀H₁₈	78
30	C₆₀H₁₈	78
31	C₆₀H₁₈	78
32	C₆₀H₁₈	78
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38	C₆₀H₁₈	78
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40	C₆₀H₁₈	78
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47	C₆₀H₁₈	78
48	C₆₀H₁₈	78
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50	C₆₀H₁₈	78
51	C₆₀H₁₈	78
52	C₆₀H₁₈	78
53	C₆₀H₁₈	78
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55	C₆₀H₁₈	78
56	C₆₀H₁₈	78
57	C₆₀H₁₈	78
58	C₆₀H₁₈	78
59	C₆₀H₁₈	78
60	C₆₀H₁₈	78
61	C₆₀H₁₈	78
62	C₆₀H₁₈	78
63	C₆₀H₁₈	78
64	C₆₀H₁₈	78
65	C₆₀H₁₈	78
66	C₆₀H₁₈	78
67	C₆₀H₁₈	78
68	C₆₀H₁₈	78
69	C₆₀H₁₈	78
70	C₆₀H₁₈	78
71	C₆₀H₁₈	78
72	C₆₀H₁₈	78
73	C₆₀H₁₈	78
74	C₆₀H₁₈	78
75	C₆₀H₁₈	78
76	C₆₀H₁₈	78
77	C₆₀H₁₈	78
78	C₆₀H₁₈	78
79	C₆₀H₁₈	78
80	C₆₀H₁₈	78
81	C₆₀H₁₈	78
82	C₆₀H₁₈	78
83	C₆₀H₁₈	78
84	C₆₀H₁₈	78
85	C₆₀H₁₈	78
86	C₆₀H₁₈	78
87	C₆₀H₁₈	78
88	C₆₀H₁₈	78
89	C₆₀H₁₈	78
90	C₆₀H₁₈	78
91	C₆₀H₁₈	78
92	C₆₀H₁₈	78
93	C₆₀H₁₈	78
94	C₆₀H₁₈	78
95	C₆₀H₁₈	78
96	C₆₀H₁₈	78
97	C₆₀H₁₈	78
98	C₆₀H₁₈	78
99	C₆₀H₁₈	78
100	C₆₀H₁₈	78

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
smax	Maximum stress on unit cell	eV/Ang³
unique_id	Random (unique) ID
user	Username
volume	Volume of unit cell	Ang³