id
stringclasses 3
values | formula
stringclasses 3
values | system
stringclasses 1
value | bandgap_eV
float64 3.2
5.6
| structure_path
stringclasses 3
values |
|---|---|---|---|---|
ABO3_0001
|
SrTiO3
|
perovskite
| 3.2 |
data/structures/ABO3_0001.xyz
|
ABO3_0002
|
BaZrO3
|
perovskite
| 5 |
data/structures/ABO3_0002.xyz
|
ABO3_0003
|
LaAlO3
|
perovskite
| 5.6 |
data/structures/ABO3_0003.xyz
|
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