CaB5O7F3
Type: Volume Composition show more
ObjectId: 5111 ExternalId: 4032
Created: 2/1/2023 3:33:19 PM by Vic) Dudarev Victor [vic_dudarev@mail.ru]
Access: Public Sort Code (asc): 0
Description: CaB5O7F3
[no file attached]
: B-Ca-F-O
Composition
| Element | Absolute | Percentage | |
|---|---|---|---|
| Ca | 1 | 6.25 % | |
| B | 5 | 31.25 % | |
| O | 7 | 43.75 % | |
| F | 3 | 18.75 % |
Associated Objects
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Tudi A.,Han S.,Yang Z.,Pan S. Band-Gap Modulation of Nonlinear-Optical
Literature ReferenceTudi A.,Han S.,Yang Z.,Pan S. Band-Gap Modulation of Nonlinear-Optical Fluorooxoborates by Controlling the F/B Ratios
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Xia M.,Li F.,Mutailipu M.,Han S.,Yang Z.,Pan S. Discovery of First Mag
Literature ReferenceXia M.,Li F.,Mutailipu M.,Han S.,Yang Z.,Pan S. Discovery of First Magnesium Fluorooxoborate with Stable Fluorine Terminated Framework for Deep-UV Nonlinear Optical Application
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Zhang Z.,Wang Y.,Zhang B.,Yang Z.,Pan S. CaB5O7F3: A Beryllium-Free Al
Literature ReferenceZhang Z.,Wang Y.,Zhang B.,Yang Z.,Pan S. CaB5O7F3: A Beryllium-Free Alkaline-Earth Fluorooxoborate Exhibiting Excellent Nonlinear Optical Performances
All properties (except table)
No properties found
The table
| CrystalSystem | SpaceGroup | Eg | IsCalculated | ReferenceId | Comment |
|---|---|---|---|---|---|
| Orthorhombic | Cmc21 | 7.05 | 1 | 974 | Calculation. CASTEP |
| Orthorhombic | Cmc21 | 7.05 | 1 | 1639 | Calculation. CASTEP (GGA) |
| Orthorhombic | Cmc21 | 8.75 | 1 | 1311 | Calculation. CASTEP |
| Orthorhombic | Cmc21 | 8.75 | 1 | 1639 | Calculation. CASTEP (HSE06) |