[User]
You are a materials design assistant. Produce a CIF-LITE block that encodes a halide perovskite candidate meeting the constraints.

Constraints:
- Allowed A-site ions: MA
- Allowed B-site ions: Pb
- Allowed X-site ions: I
- Preferred perovskite dimensionality: 3D
- Band gap window (eV): 1.500 - 1.700
- Minimum stability (T80, hours): 344
- Initial efficiency (JV_default_PCE, %): 19.1
- Soft geometry constraints: t in [0.86, 0.96], μ in [0.49, 0.59] (target t≈0.91, μ≈0.54)
- Notes: Prefer processing similar to exemplars. Use LONG composition strings.

Return only this block:

# CIF-LITE v1
data_id: <free text label>
_chemical_formula_sum: <LONG composition string>
_perovskite_dimension: <3D|2D|2D3D|UNKNOWN>
_stack_sequence: <free text or UNKNOWN>
_film_thickness_nm: <number or UNKNOWN>
_deposition_procedure: <spin|blade|evap|spray|inkjet|UNKNOWN>
_anneal_temperature_C: <number or UNKNOWN>
_anneal_time_min: <number or UNKNOWN>
_anneal_atmosphere: <air|N2|vacuum|solvent_vapor|UNKNOWN>
_encapsulation: <Yes|No|UNKNOWN>

loop_
_site A_ion occupancy
<A_LOOP_ROWS>
loop_
_site B_ion occupancy
<B_LOOP_ROWS>
loop_
_site X_ion occupancy
<X_LOOP_ROWS>

_targets.band_gap_eV: <PREDICTED_Eg>
_targets.T80_hours: <PREDICTED_T80>

[Assistant]
# CIF-LITE v1
data_id: PD_4745
_chemical_formula_sum: MAPbI3
_perovskite_dimension: 3D
_stack_sequence: SLG | ITO | P3CT-Na | Perovskite | ITCP-M | BCP | Ag
_film_thickness_nm: UNKNOWN
_deposition_procedure: Spin-coating
_anneal_temperature_C: 60.0
_anneal_time_min: UNKNOWN
_anneal_atmosphere: UNKNOWN
_encapsulation: No

loop_
_site A_ion occupancy
MA 1.0
loop_
_site B_ion occupancy
Pb 1.0
loop_
_site X_ion occupancy
I 1.0

_geometry.t_goldschmidt: 0.9115
_geometry.mu_octahedral: 0.5409

_targets.band_gap_eV: 1.6
_targets.T80_hours: 430
_initial.JV_default_PCE_percent: 19.1


[User]
You are a materials design assistant. Produce a CIF-LITE block that encodes a halide perovskite candidate meeting the constraints.

Constraints:
- Allowed A-site ions: MA
- Allowed B-site ions: Pb
- Allowed X-site ions: I
- Preferred perovskite dimensionality: 3D
- Band gap window (eV): 1.500 - 1.700
- Minimum stability (T80, hours): 44
- Initial efficiency (JV_default_PCE, %): 19.0
- Soft geometry constraints: t in [0.86, 0.96], μ in [0.49, 0.59] (target t≈0.91, μ≈0.54)
- Notes: Prefer processing similar to exemplars. Use LONG composition strings.

Return only this block:

# CIF-LITE v1
data_id: <free text label>
_chemical_formula_sum: <LONG composition string>
_perovskite_dimension: <3D|2D|2D3D|UNKNOWN>
_stack_sequence: <free text or UNKNOWN>
_film_thickness_nm: <number or UNKNOWN>
_deposition_procedure: <spin|blade|evap|spray|inkjet|UNKNOWN>
_anneal_temperature_C: <number or UNKNOWN>
_anneal_time_min: <number or UNKNOWN>
_anneal_atmosphere: <air|N2|vacuum|solvent_vapor|UNKNOWN>
_encapsulation: <Yes|No|UNKNOWN>

loop_
_site A_ion occupancy
<A_LOOP_ROWS>
loop_
_site B_ion occupancy
<B_LOOP_ROWS>
loop_
_site X_ion occupancy
<X_LOOP_ROWS>

_targets.band_gap_eV: <PREDICTED_Eg>
_targets.T80_hours: <PREDICTED_T80>

[Assistant]
# CIF-LITE v1
data_id: PD_32959
_chemical_formula_sum: MAPbI3
_perovskite_dimension: 3D
_stack_sequence: SLG | FTO | TiO2-c | TiO2-mp | Perovskite | Spiro-MeOTAD | Au
_film_thickness_nm: UNKNOWN
_deposition_procedure: Spin-coating
_anneal_temperature_C: 70.0
_anneal_time_min: UNKNOWN
_anneal_atmosphere: UNKNOWN
_encapsulation: No

loop_
_site A_ion occupancy
MA 1.0
loop_
_site B_ion occupancy
Pb 1.0
loop_
_site X_ion occupancy
I 1.0

_geometry.t_goldschmidt: 0.9115
_geometry.mu_octahedral: 0.5409

_targets.band_gap_eV: 1.6
_targets.T80_hours: 55
_initial.JV_default_PCE_percent: 19.0


[User]
You are a materials design assistant. Produce a CIF-LITE block that encodes a halide perovskite candidate meeting the constraints.

Constraints:
- Allowed A-site ions: MA
- Allowed B-site ions: Pb
- Allowed X-site ions: I
- Preferred perovskite dimensionality: 3D
- Band gap window (eV): 1.400 - 1.600
- Minimum stability (T80, hours): 1
- Initial efficiency (JV_default_PCE, %): 15.2
- Soft geometry constraints: t in [0.86, 0.96], μ in [0.49, 0.59] (target t≈0.91, μ≈0.54)
- Notes: Prefer processing similar to exemplars. Use LONG composition strings.

Return only this block:

# CIF-LITE v1
data_id: <free text label>
_chemical_formula_sum: <LONG composition string>
_perovskite_dimension: <3D|2D|2D3D|UNKNOWN>
_stack_sequence: <free text or UNKNOWN>
_film_thickness_nm: <number or UNKNOWN>
_deposition_procedure: <spin|blade|evap|spray|inkjet|UNKNOWN>
_anneal_temperature_C: <number or UNKNOWN>
_anneal_time_min: <number or UNKNOWN>
_anneal_atmosphere: <air|N2|vacuum|solvent_vapor|UNKNOWN>
_encapsulation: <Yes|No|UNKNOWN>

loop_
_site A_ion occupancy
<A_LOOP_ROWS>
loop_
_site B_ion occupancy
<B_LOOP_ROWS>
loop_
_site X_ion occupancy
<X_LOOP_ROWS>

_targets.band_gap_eV: <PREDICTED_Eg>
_targets.T80_hours: <PREDICTED_T80>

[Assistant]
# CIF-LITE v1
data_id: PD_24077
_chemical_formula_sum: MAPbI3
_perovskite_dimension: 3D
_stack_sequence: SLG | FTO | TiO2-c | TiO2-mp | Perovskite | Spiro-MeOTAD | Au
_film_thickness_nm: UNKNOWN
_deposition_procedure: Spin-coating
_anneal_temperature_C: 70.0
_anneal_time_min: UNKNOWN
_anneal_atmosphere: UNKNOWN
_encapsulation: No

loop_
_site A_ion occupancy
MA 1.0
loop_
_site B_ion occupancy
Pb 1.0
loop_
_site X_ion occupancy
I 1.0

_geometry.t_goldschmidt: 0.9115
_geometry.mu_octahedral: 0.5409

_targets.band_gap_eV: 1.5
_targets.T80_hours: 1
_initial.JV_default_PCE_percent: 15.2


[User]
You are a materials design assistant. Produce a CIF-LITE block that encodes a halide perovskite candidate meeting the constraints.

Constraints:
- Allowed A-site ions: MA
- Allowed B-site ions: Pb
- Allowed X-site ions: I
- Preferred perovskite dimensionality: 3D
- Band gap window (eV): 1.500 - 1.700
- Minimum stability (T80, hours): 116
- Initial efficiency (JV_default_PCE, %): 17.1
- Soft geometry constraints: t in [0.86, 0.96], μ in [0.49, 0.59] (target t≈0.91, μ≈0.54)
- Notes: Prefer processing similar to exemplars. Use LONG composition strings.

Return only this block:

# CIF-LITE v1
data_id: <free text label>
_chemical_formula_sum: <LONG composition string>
_perovskite_dimension: <3D|2D|2D3D|UNKNOWN>
_stack_sequence: <free text or UNKNOWN>
_film_thickness_nm: <number or UNKNOWN>
_deposition_procedure: <spin|blade|evap|spray|inkjet|UNKNOWN>
_anneal_temperature_C: <number or UNKNOWN>
_anneal_time_min: <number or UNKNOWN>
_anneal_atmosphere: <air|N2|vacuum|solvent_vapor|UNKNOWN>
_encapsulation: <Yes|No|UNKNOWN>

loop_
_site A_ion occupancy
<A_LOOP_ROWS>
loop_
_site B_ion occupancy
<B_LOOP_ROWS>
loop_
_site X_ion occupancy
<X_LOOP_ROWS>

_targets.band_gap_eV: <PREDICTED_Eg>
_targets.T80_hours: <PREDICTED_T80>

[Assistant]
# CIF-LITE v1
data_id: PD_14590
_chemical_formula_sum: MAPbI3
_perovskite_dimension: 3D
_stack_sequence: SLG | ITO | P3CT-K | Perovskite | PCBM-60 | ZnO-c | Al
_film_thickness_nm: 420.0
_deposition_procedure: Spin-coating
_anneal_temperature_C: 60.0
_anneal_time_min: 1.0
_anneal_atmosphere: UNKNOWN
_encapsulation: No

loop_
_site A_ion occupancy
MA 1.0
loop_
_site B_ion occupancy
Pb 1.0
loop_
_site X_ion occupancy
I 1.0

_geometry.t_goldschmidt: 0.9115
_geometry.mu_octahedral: 0.5409

_targets.band_gap_eV: 1.6
_targets.T80_hours: 145
_initial.JV_default_PCE_percent: 17.1


[User]
You are a materials design assistant. Produce a CIF-LITE block that encodes a halide perovskite candidate meeting the constraints.

Constraints:
- Allowed A-site ions: MA
- Allowed B-site ions: Pb
- Allowed X-site ions: I
- Preferred perovskite dimensionality: 3D
- Band gap window (eV): 1.490 - 1.690
- Minimum stability (T80, hours): 576
- Initial efficiency (JV_default_PCE, %): 19.6
- Soft geometry constraints: t in [0.86, 0.96], μ in [0.49, 0.59] (target t≈0.91, μ≈0.54)
- Notes: Prefer processing similar to exemplars. Use LONG composition strings.

Return only this block:

# CIF-LITE v1
data_id: <free text label>
_chemical_formula_sum: <LONG composition string>
_perovskite_dimension: <3D|2D|2D3D|UNKNOWN>
_stack_sequence: <free text or UNKNOWN>
_film_thickness_nm: <number or UNKNOWN>
_deposition_procedure: <spin|blade|evap|spray|inkjet|UNKNOWN>
_anneal_temperature_C: <number or UNKNOWN>
_anneal_time_min: <number or UNKNOWN>
_anneal_atmosphere: <air|N2|vacuum|solvent_vapor|UNKNOWN>
_encapsulation: <Yes|No|UNKNOWN>

loop_
_site A_ion occupancy
<A_LOOP_ROWS>
loop_
_site B_ion occupancy
<B_LOOP_ROWS>
loop_
_site X_ion occupancy
<X_LOOP_ROWS>

_targets.band_gap_eV: <PREDICTED_Eg>
_targets.T80_hours: <PREDICTED_T80>

[Assistant]
# CIF-LITE v1
data_id: PD_13402
_chemical_formula_sum: MAPbI3
_perovskite_dimension: 3D
_stack_sequence: SLG | ITO | PEDOT:PSS | Perovskite | PCBM-60 | Ca | Al
_film_thickness_nm: 500.0
_deposition_procedure: Spin-coating
_anneal_temperature_C: -173.14999999999998
_anneal_time_min: UNKNOWN
_anneal_atmosphere: UNKNOWN
_encapsulation: Yes

loop_
_site A_ion occupancy
MA 1.0
loop_
_site B_ion occupancy
Pb 1.0
loop_
_site X_ion occupancy
I 1.0

_geometry.t_goldschmidt: 0.9115
_geometry.mu_octahedral: 0.5409

_targets.band_gap_eV: 1.59
_targets.T80_hours: 720
_initial.JV_default_PCE_percent: 19.6


[User]
You are a materials design assistant. Produce a CIF-LITE block that encodes a halide perovskite candidate meeting the constraints.

Constraints:
- Allowed A-site ions: MA
- Allowed B-site ions: Pb
- Allowed X-site ions: I
- Preferred perovskite dimensionality: 3D
- Band gap window (eV): 1.500 - 1.700
- Minimum stability (T80, hours): 76
- Initial efficiency (JV_default_PCE, %): 9.1
- Soft geometry constraints: t in [0.86, 0.96], μ in [0.49, 0.59] (target t≈0.91, μ≈0.54)
- Notes: Prefer processing similar to exemplars. Use LONG composition strings.

Return only this block:

# CIF-LITE v1
data_id: <free text label>
_chemical_formula_sum: <LONG composition string>
_perovskite_dimension: <3D|2D|2D3D|UNKNOWN>
_stack_sequence: <free text or UNKNOWN>
_film_thickness_nm: <number or UNKNOWN>
_deposition_procedure: <spin|blade|evap|spray|inkjet|UNKNOWN>
_anneal_temperature_C: <number or UNKNOWN>
_anneal_time_min: <number or UNKNOWN>
_anneal_atmosphere: <air|N2|vacuum|solvent_vapor|UNKNOWN>
_encapsulation: <Yes|No|UNKNOWN>

loop_
_site A_ion occupancy
<A_LOOP_ROWS>
loop_
_site B_ion occupancy
<B_LOOP_ROWS>
loop_
_site X_ion occupancy
<X_LOOP_ROWS>

_targets.band_gap_eV: <PREDICTED_Eg>
_targets.T80_hours: <PREDICTED_T80>

[Assistant]
# CIF-LITE v1
data_id: PD_40913
_chemical_formula_sum: MAPb1.0I3
_perovskite_dimension: 3D
_stack_sequence: SLG | ITO | ZnO-c | Perovskite | Spiro-MeOTAD | Au
_film_thickness_nm: 400.0
_deposition_procedure: Spin-coating
_anneal_temperature_C: 100.0
_anneal_time_min: UNKNOWN
_anneal_atmosphere: UNKNOWN
_encapsulation: Yes

loop_
_site A_ion occupancy
MA 1.0
loop_
_site B_ion occupancy
Pb 1.0
loop_
_site X_ion occupancy
I 1.0

_geometry.t_goldschmidt: 0.9115
_geometry.mu_octahedral: 0.5409

_targets.band_gap_eV: 1.6
_targets.T80_hours: 96
_initial.JV_default_PCE_percent: 9.1


[User]
You are a materials design assistant. Produce a CIF-LITE block that encodes a halide perovskite candidate meeting the constraints.

Constraints:
- Allowed A-site ions: MA
- Allowed B-site ions: Pb
- Allowed X-site ions: I
- Preferred perovskite dimensionality: 3D
- Band gap window (eV): 1.500 - 1.700
- Minimum stability (T80, hours): 25
- Initial efficiency (JV_default_PCE, %): 17.2
- Soft geometry constraints: t in [0.86, 0.96], μ in [0.49, 0.59] (target t≈0.91, μ≈0.54)
- Notes: Prefer processing similar to exemplars. Use LONG composition strings.

Return only this block:

# CIF-LITE v1
data_id: <free text label>
_chemical_formula_sum: <LONG composition string>
_perovskite_dimension: <3D|2D|2D3D|UNKNOWN>
_stack_sequence: <free text or UNKNOWN>
_film_thickness_nm: <number or UNKNOWN>
_deposition_procedure: <spin|blade|evap|spray|inkjet|UNKNOWN>
_anneal_temperature_C: <number or UNKNOWN>
_anneal_time_min: <number or UNKNOWN>
_anneal_atmosphere: <air|N2|vacuum|solvent_vapor|UNKNOWN>
_encapsulation: <Yes|No|UNKNOWN>

loop_
_site A_ion occupancy
<A_LOOP_ROWS>
loop_
_site B_ion occupancy
<B_LOOP_ROWS>
loop_
_site X_ion occupancy
<X_LOOP_ROWS>

_targets.band_gap_eV: <PREDICTED_Eg>
_targets.T80_hours: <PREDICTED_T80>

[Assistant]
# CIF-LITE v1
data_id: PD_14030
_chemical_formula_sum: MAPbI3
_perovskite_dimension: 3D
_stack_sequence: SLG | FTO | TiO2-c | Perovskite | Spiro-MeOTAD | Au
_film_thickness_nm: 450.0
_deposition_procedure: Spin-coating
_anneal_temperature_C: 100.0
_anneal_time_min: 60.0
_anneal_atmosphere: UNKNOWN
_encapsulation: No

loop_
_site A_ion occupancy
MA 1.0
loop_
_site B_ion occupancy
Pb 1.0
loop_
_site X_ion occupancy
I 1.0

_geometry.t_goldschmidt: 0.9115
_geometry.mu_octahedral: 0.5409

_targets.band_gap_eV: 1.6
_targets.T80_hours: 31
_initial.JV_default_PCE_percent: 17.2


[User]
You are a materials design assistant. Produce a CIF-LITE block that encodes a halide perovskite candidate meeting the constraints.

Constraints:
- Allowed A-site ions: MA
- Allowed B-site ions: Pb
- Allowed X-site ions: I
- Preferred perovskite dimensionality: 3D
- Band gap window (eV): 1.500 - 1.700
- Minimum stability (T80, hours): 128
- Initial efficiency (JV_default_PCE, %): 10.6
- Soft geometry constraints: t in [0.86, 0.96], μ in [0.49, 0.59] (target t≈0.91, μ≈0.54)
- Notes: Prefer processing similar to exemplars. Use LONG composition strings.

Return only this block:

# CIF-LITE v1
data_id: <free text label>
_chemical_formula_sum: <LONG composition string>
_perovskite_dimension: <3D|2D|2D3D|UNKNOWN>
_stack_sequence: <free text or UNKNOWN>
_film_thickness_nm: <number or UNKNOWN>
_deposition_procedure: <spin|blade|evap|spray|inkjet|UNKNOWN>
_anneal_temperature_C: <number or UNKNOWN>
_anneal_time_min: <number or UNKNOWN>
_anneal_atmosphere: <air|N2|vacuum|solvent_vapor|UNKNOWN>
_encapsulation: <Yes|No|UNKNOWN>

loop_
_site A_ion occupancy
<A_LOOP_ROWS>
loop_
_site B_ion occupancy
<B_LOOP_ROWS>
loop_
_site X_ion occupancy
<X_LOOP_ROWS>

_targets.band_gap_eV: <PREDICTED_Eg>
_targets.T80_hours: <PREDICTED_T80>

[Assistant]
# CIF-LITE v1
data_id: PD_32460
_chemical_formula_sum: MAPbI3
_perovskite_dimension: 3D
_stack_sequence: SLG | ITO | ZnO-np | Perovskite | P3HT | P3HT; PMMA | Au
_film_thickness_nm: UNKNOWN
_deposition_procedure: Spin-coating
_anneal_temperature_C: UNKNOWN
_anneal_time_min: UNKNOWN
_anneal_atmosphere: UNKNOWN
_encapsulation: No

loop_
_site A_ion occupancy
MA 1.0
loop_
_site B_ion occupancy
Pb 1.0
loop_
_site X_ion occupancy
I 1.0

_geometry.t_goldschmidt: 0.9115
_geometry.mu_octahedral: 0.5409

_targets.band_gap_eV: 1.6
_targets.T80_hours: 160
_initial.JV_default_PCE_percent: 10.6


[User]
You are a materials design assistant. Produce a CIF-LITE block that encodes a halide perovskite candidate meeting the constraints.

Constraints:
- Allowed A-site ions: MA
- Allowed B-site ions: Pb
- Allowed X-site ions: I
- Preferred perovskite dimensionality: 3D
- Band gap window (eV): 1.500 - 1.700
- Minimum stability (T80, hours): 880
- Initial efficiency (JV_default_PCE, %): nan
- Soft geometry constraints: t in [0.86, 0.96], μ in [0.49, 0.59] (target t≈0.91, μ≈0.54)
- Notes: Prefer processing similar to exemplars. Use LONG composition strings.

Return only this block:

# CIF-LITE v1
data_id: <free text label>
_chemical_formula_sum: <LONG composition string>
_perovskite_dimension: <3D|2D|2D3D|UNKNOWN>
_stack_sequence: <free text or UNKNOWN>
_film_thickness_nm: <number or UNKNOWN>
_deposition_procedure: <spin|blade|evap|spray|inkjet|UNKNOWN>
_anneal_temperature_C: <number or UNKNOWN>
_anneal_time_min: <number or UNKNOWN>
_anneal_atmosphere: <air|N2|vacuum|solvent_vapor|UNKNOWN>
_encapsulation: <Yes|No|UNKNOWN>

loop_
_site A_ion occupancy
<A_LOOP_ROWS>
loop_
_site B_ion occupancy
<B_LOOP_ROWS>
loop_
_site X_ion occupancy
<X_LOOP_ROWS>

_targets.band_gap_eV: <PREDICTED_Eg>
_targets.T80_hours: <PREDICTED_T80>

[Assistant]
# CIF-LITE v1
data_id: PD_23409
_chemical_formula_sum: MAPbI3
_perovskite_dimension: 3D
_stack_sequence: SLG | ITO | P3CT-N | Perovskite | PCBM-60 | C60 | BCP | Cu
_film_thickness_nm: UNKNOWN
_deposition_procedure: Spin-coating
_anneal_temperature_C: 60.0
_anneal_time_min: UNKNOWN
_anneal_atmosphere: UNKNOWN
_encapsulation: No

loop_
_site A_ion occupancy
MA 1.0
loop_
_site B_ion occupancy
Pb 1.0
loop_
_site X_ion occupancy
I 1.0

_geometry.t_goldschmidt: 0.9115
_geometry.mu_octahedral: 0.5409

_targets.band_gap_eV: 1.6
_targets.T80_hours: 1100
_initial.JV_default_PCE_percent: nan


[User]
You are a materials design assistant. Produce a CIF-LITE block that encodes a halide perovskite candidate meeting the constraints.

Constraints:
- Allowed A-site ions: MA
- Allowed B-site ions: Pb
- Allowed X-site ions: I
- Preferred perovskite dimensionality: 3D
- Band gap window (eV): 1.500 - 1.700
- Minimum stability (T80, hours): 56
- Initial efficiency (JV_default_PCE, %): nan
- Soft geometry constraints: t in [0.86, 0.96], μ in [0.49, 0.59] (target t≈0.91, μ≈0.54)
- Notes: Prefer processing similar to exemplars. Use LONG composition strings.

Return only this block:

# CIF-LITE v1
data_id: <free text label>
_chemical_formula_sum: <LONG composition string>
_perovskite_dimension: <3D|2D|2D3D|UNKNOWN>
_stack_sequence: <free text or UNKNOWN>
_film_thickness_nm: <number or UNKNOWN>
_deposition_procedure: <spin|blade|evap|spray|inkjet|UNKNOWN>
_anneal_temperature_C: <number or UNKNOWN>
_anneal_time_min: <number or UNKNOWN>
_anneal_atmosphere: <air|N2|vacuum|solvent_vapor|UNKNOWN>
_encapsulation: <Yes|No|UNKNOWN>

loop_
_site A_ion occupancy
<A_LOOP_ROWS>
loop_
_site B_ion occupancy
<B_LOOP_ROWS>
loop_
_site X_ion occupancy
<X_LOOP_ROWS>

_targets.band_gap_eV: <PREDICTED_Eg>
_targets.T80_hours: <PREDICTED_T80>

[Assistant]
# CIF-LITE v1
data_id: PD_37138
_chemical_formula_sum: MAPbI3
_perovskite_dimension: 3D
_stack_sequence: SLG | FTO | TiO2-c | Perovskite | SAF-5 | MoO3 | Ag
_film_thickness_nm: UNKNOWN
_deposition_procedure: Spin-coating
_anneal_temperature_C: 100.0
_anneal_time_min: 10.0
_anneal_atmosphere: UNKNOWN
_encapsulation: No

loop_
_site A_ion occupancy
MA 1.0
loop_
_site B_ion occupancy
Pb 1.0
loop_
_site X_ion occupancy
I 1.0

_geometry.t_goldschmidt: 0.9115
_geometry.mu_octahedral: 0.5409

_targets.band_gap_eV: 1.6
_targets.T80_hours: 70
_initial.JV_default_PCE_percent: nan


[User]
You are a materials design assistant. Produce a CIF-LITE block that encodes a halide perovskite candidate meeting the constraints.

Constraints:
- Allowed A-site ions: MA
- Allowed B-site ions: Pb
- Allowed X-site ions: I
- Preferred perovskite dimensionality: 3D
- Band gap window (eV): 1.500 - 1.700
- Minimum stability (T80, hours): 230
- Initial efficiency (JV_default_PCE, %): 5.9
- Soft geometry constraints: t in [0.86, 0.96], μ in [0.49, 0.59] (target t≈0.91, μ≈0.54)
- Notes: Prefer processing similar to exemplars. Use LONG composition strings.

Return only this block:

# CIF-LITE v1
data_id: <free text label>
_chemical_formula_sum: <LONG composition string>
_perovskite_dimension: <3D|2D|2D3D|UNKNOWN>
_stack_sequence: <free text or UNKNOWN>
_film_thickness_nm: <number or UNKNOWN>
_deposition_procedure: <spin|blade|evap|spray|inkjet|UNKNOWN>
_anneal_temperature_C: <number or UNKNOWN>
_anneal_time_min: <number or UNKNOWN>
_anneal_atmosphere: <air|N2|vacuum|solvent_vapor|UNKNOWN>
_encapsulation: <Yes|No|UNKNOWN>

loop_
_site A_ion occupancy
<A_LOOP_ROWS>
loop_
_site B_ion occupancy
<B_LOOP_ROWS>
loop_
_site X_ion occupancy
<X_LOOP_ROWS>

_targets.band_gap_eV: <PREDICTED_Eg>
_targets.T80_hours: <PREDICTED_T80>

[Assistant]
# CIF-LITE v1
data_id: PD_32360
_chemical_formula_sum: MAPbI3
_perovskite_dimension: 3D
_stack_sequence: SLG | FTO | TiO2-c | TiO2-mp | Perovskite | Spiro-MeOTAD | Au
_film_thickness_nm: UNKNOWN
_deposition_procedure: Spin-coating
_anneal_temperature_C: -173.14999999999998
_anneal_time_min: UNKNOWN
_anneal_atmosphere: UNKNOWN
_encapsulation: No

loop_
_site A_ion occupancy
MA 1.0
loop_
_site B_ion occupancy
Pb 1.0
loop_
_site X_ion occupancy
I 1.0

_geometry.t_goldschmidt: 0.9115
_geometry.mu_octahedral: 0.5409

_targets.band_gap_eV: 1.6
_targets.T80_hours: 288
_initial.JV_default_PCE_percent: 5.9


[User]
You are a materials design assistant. Produce a CIF-LITE block that encodes a halide perovskite candidate meeting the constraints.

Constraints:
- Allowed A-site ions: MA
- Allowed B-site ions: Pb
- Allowed X-site ions: I
- Preferred perovskite dimensionality: 3D
- Band gap window (eV): 1.500 - 1.700
- Minimum stability (T80, hours): 212
- Initial efficiency (JV_default_PCE, %): 11.0
- Soft geometry constraints: t in [0.86, 0.96], μ in [0.49, 0.59] (target t≈0.91, μ≈0.54)
- Notes: Prefer processing similar to exemplars. Use LONG composition strings.

Return only this block:

# CIF-LITE v1
data_id: <free text label>
_chemical_formula_sum: <LONG composition string>
_perovskite_dimension: <3D|2D|2D3D|UNKNOWN>
_stack_sequence: <free text or UNKNOWN>
_film_thickness_nm: <number or UNKNOWN>
_deposition_procedure: <spin|blade|evap|spray|inkjet|UNKNOWN>
_anneal_temperature_C: <number or UNKNOWN>
_anneal_time_min: <number or UNKNOWN>
_anneal_atmosphere: <air|N2|vacuum|solvent_vapor|UNKNOWN>
_encapsulation: <Yes|No|UNKNOWN>

loop_
_site A_ion occupancy
<A_LOOP_ROWS>
loop_
_site B_ion occupancy
<B_LOOP_ROWS>
loop_
_site X_ion occupancy
<X_LOOP_ROWS>

_targets.band_gap_eV: <PREDICTED_Eg>
_targets.T80_hours: <PREDICTED_T80>

[Assistant]
# CIF-LITE v1
data_id: PD_16803
_chemical_formula_sum: MAPbI3
_perovskite_dimension: 3D
_stack_sequence: SLG | FTO | TiO2-c | Perovskite | Spiro-MeOTAD | Ag
_film_thickness_nm: UNKNOWN
_deposition_procedure: Spin-coating
_anneal_temperature_C: 100.0
_anneal_time_min: UNKNOWN
_anneal_atmosphere: UNKNOWN
_encapsulation: No

loop_
_site A_ion occupancy
MA 1.0
loop_
_site B_ion occupancy
Pb 1.0
loop_
_site X_ion occupancy
I 1.0

_geometry.t_goldschmidt: 0.9115
_geometry.mu_octahedral: 0.5409

_targets.band_gap_eV: 1.6
_targets.T80_hours: 265
_initial.JV_default_PCE_percent: 11.0


[User]
You are a materials design assistant. Produce a CIF-LITE block that encodes a halide perovskite candidate meeting the constraints.

Constraints:
- Allowed A-site ions: MA
- Allowed B-site ions: Pb
- Allowed X-site ions: I
- Preferred perovskite dimensionality: 3D
- Band gap window (eV): 1.500 - 1.700
- Minimum stability (T80, hours): 800
- Initial efficiency (JV_default_PCE, %): 16.4
- Soft geometry constraints: t in [0.86, 0.96], μ in [0.49, 0.59] (target t≈0.91, μ≈0.54)
- Notes: Prefer processing similar to exemplars. Use LONG composition strings.

Return only this block:

# CIF-LITE v1
data_id: <free text label>
_chemical_formula_sum: <LONG composition string>
_perovskite_dimension: <3D|2D|2D3D|UNKNOWN>
_stack_sequence: <free text or UNKNOWN>
_film_thickness_nm: <number or UNKNOWN>
_deposition_procedure: <spin|blade|evap|spray|inkjet|UNKNOWN>
_anneal_temperature_C: <number or UNKNOWN>
_anneal_time_min: <number or UNKNOWN>
_anneal_atmosphere: <air|N2|vacuum|solvent_vapor|UNKNOWN>
_encapsulation: <Yes|No|UNKNOWN>

loop_
_site A_ion occupancy
<A_LOOP_ROWS>
loop_
_site B_ion occupancy
<B_LOOP_ROWS>
loop_
_site X_ion occupancy
<X_LOOP_ROWS>

_targets.band_gap_eV: <PREDICTED_Eg>
_targets.T80_hours: <PREDICTED_T80>

[Assistant]
# CIF-LITE v1
data_id: PD_11818
_chemical_formula_sum: MAPbI3
_perovskite_dimension: 3D
_stack_sequence: SLG | FTO | TiO2-c | Perovskite | PTAA | Au
_film_thickness_nm: UNKNOWN
_deposition_procedure: Spin-coating
_anneal_temperature_C: 60.0
_anneal_time_min: UNKNOWN
_anneal_atmosphere: UNKNOWN
_encapsulation: No

loop_
_site A_ion occupancy
MA 1.0
loop_
_site B_ion occupancy
Pb 1.0
loop_
_site X_ion occupancy
I 1.0

_geometry.t_goldschmidt: 0.9115
_geometry.mu_octahedral: 0.5409

_targets.band_gap_eV: 1.6
_targets.T80_hours: 1000
_initial.JV_default_PCE_percent: 16.4


[User]
You are a materials design assistant. Produce a CIF-LITE block that encodes a halide perovskite candidate meeting the constraints.

Constraints:
- Allowed A-site ions: MA
- Allowed B-site ions: Pb
- Allowed X-site ions: I
- Preferred perovskite dimensionality: 3D
- Band gap window (eV): 1.500 - 1.700
- Minimum stability (T80, hours): 80
- Initial efficiency (JV_default_PCE, %): nan
- Soft geometry constraints: t in [0.86, 0.96], μ in [0.49, 0.59] (target t≈0.91, μ≈0.54)
- Notes: Prefer processing similar to exemplars. Use LONG composition strings.

Return only this block:

# CIF-LITE v1
data_id: <free text label>
_chemical_formula_sum: <LONG composition string>
_perovskite_dimension: <3D|2D|2D3D|UNKNOWN>
_stack_sequence: <free text or UNKNOWN>
_film_thickness_nm: <number or UNKNOWN>
_deposition_procedure: <spin|blade|evap|spray|inkjet|UNKNOWN>
_anneal_temperature_C: <number or UNKNOWN>
_anneal_time_min: <number or UNKNOWN>
_anneal_atmosphere: <air|N2|vacuum|solvent_vapor|UNKNOWN>
_encapsulation: <Yes|No|UNKNOWN>

loop_
_site A_ion occupancy
<A_LOOP_ROWS>
loop_
_site B_ion occupancy
<B_LOOP_ROWS>
loop_
_site X_ion occupancy
<X_LOOP_ROWS>

_targets.band_gap_eV: <PREDICTED_Eg>
_targets.T80_hours: <PREDICTED_T80>

[Assistant]
# CIF-LITE v1
data_id: PD_30782
_chemical_formula_sum: MAPbI3
_perovskite_dimension: 3D
_stack_sequence: SLG | FTO | NiMgLiO | Perovskite | PCBM-60 | BCP | Ag
_film_thickness_nm: UNKNOWN
_deposition_procedure: Spin-coating
_anneal_temperature_C: 100.0
_anneal_time_min: 10.0
_anneal_atmosphere: UNKNOWN
_encapsulation: No

loop_
_site A_ion occupancy
MA 1.0
loop_
_site B_ion occupancy
Pb 1.0
loop_
_site X_ion occupancy
I 1.0

_geometry.t_goldschmidt: 0.9115
_geometry.mu_octahedral: 0.5409

_targets.band_gap_eV: 1.6
_targets.T80_hours: 100
_initial.JV_default_PCE_percent: nan


[User]
You are a materials design assistant. Produce a CIF-LITE block that encodes a halide perovskite candidate meeting the constraints.

Constraints:
- Allowed A-site ions: Cs, FA, MA
- Allowed B-site ions: Pb
- Allowed X-site ions: Br, I
- Preferred perovskite dimensionality: 3D
- Band gap window (eV): 1.540 - 1.740
- Minimum stability (T80, hours): 2112
- Initial efficiency (JV_default_PCE, %): 14.8
- Soft geometry constraints: t in [0.92, 1.02], μ in [0.50, 0.60] (target t≈0.97, μ≈0.55)
- Notes: Prefer processing similar to exemplars. Use LONG composition strings.

Return only this block:

# CIF-LITE v1
data_id: <free text label>
_chemical_formula_sum: <LONG composition string>
_perovskite_dimension: <3D|2D|2D3D|UNKNOWN>
_stack_sequence: <free text or UNKNOWN>
_film_thickness_nm: <number or UNKNOWN>
_deposition_procedure: <spin|blade|evap|spray|inkjet|UNKNOWN>
_anneal_temperature_C: <number or UNKNOWN>
_anneal_time_min: <number or UNKNOWN>
_anneal_atmosphere: <air|N2|vacuum|solvent_vapor|UNKNOWN>
_encapsulation: <Yes|No|UNKNOWN>

loop_
_site A_ion occupancy
<A_LOOP_ROWS>
loop_
_site B_ion occupancy
<B_LOOP_ROWS>
loop_
_site X_ion occupancy
<X_LOOP_ROWS>

_targets.band_gap_eV: <PREDICTED_Eg>
_targets.T80_hours: <PREDICTED_T80>

[Assistant]
# CIF-LITE v1
data_id: PD_42065
_chemical_formula_sum: Cs0.05FA0.79MA0.16PbBr0.51I2.49
_perovskite_dimension: 3D
_stack_sequence: SLG | FTO | TiO2-c | TiO2-mp | Perovskite | Spiro-MeOTAD | Au
_film_thickness_nm: 480.0
_deposition_procedure: Spin-coating
_anneal_temperature_C: 100.0
_anneal_time_min: 45.0
_anneal_atmosphere: N2
_encapsulation: No

loop_
_site A_ion occupancy
FA 0.79
MA 0.16
Cs 0.05
loop_
_site B_ion occupancy
Pb 1.0
loop_
_site X_ion occupancy
I 0.83
Br 0.17

_geometry.t_goldschmidt: 0.9710
_geometry.mu_octahedral: 0.5511

_targets.band_gap_eV: 1.64
_targets.T80_hours: 2640
_initial.JV_default_PCE_percent: 14.8


[User]
You are a materials design assistant. Produce a CIF-LITE block that encodes a halide perovskite candidate meeting the constraints.

Constraints:
- Allowed A-site ions: MA
- Allowed B-site ions: Pb
- Allowed X-site ions: I
- Preferred perovskite dimensionality: 3D
- Band gap window (eV): 1.500 - 1.700
- Minimum stability (T80, hours): 160
- Initial efficiency (JV_default_PCE, %): 19.1
- Soft geometry constraints: t in [0.86, 0.96], μ in [0.49, 0.59] (target t≈0.91, μ≈0.54)
- Notes: Prefer processing similar to exemplars. Use LONG composition strings.

Return only this block:

# CIF-LITE v1
data_id: <free text label>
_chemical_formula_sum: <LONG composition string>
_perovskite_dimension: <3D|2D|2D3D|UNKNOWN>
_stack_sequence: <free text or UNKNOWN>
_film_thickness_nm: <number or UNKNOWN>
_deposition_procedure: <spin|blade|evap|spray|inkjet|UNKNOWN>
_anneal_temperature_C: <number or UNKNOWN>
_anneal_time_min: <number or UNKNOWN>
_anneal_atmosphere: <air|N2|vacuum|solvent_vapor|UNKNOWN>
_encapsulation: <Yes|No|UNKNOWN>

loop_
_site A_ion occupancy
<A_LOOP_ROWS>
loop_
_site B_ion occupancy
<B_LOOP_ROWS>
loop_
_site X_ion occupancy
<X_LOOP_ROWS>

_targets.band_gap_eV: <PREDICTED_Eg>
_targets.T80_hours: <PREDICTED_T80>

[Assistant]
# CIF-LITE v1
data_id: PD_6767
_chemical_formula_sum: MAPbI3
_perovskite_dimension: 3D
_stack_sequence: SLG | FTO | TiO2-c | Perovskite | IEICO-4F | Spiro-MeOTAD | MoO3 | Au
_film_thickness_nm: 300.0
_deposition_procedure: Spin-coating
_anneal_temperature_C: 100.0
_anneal_time_min: 10.0
_anneal_atmosphere: UNKNOWN
_encapsulation: No

loop_
_site A_ion occupancy
MA 1.0
loop_
_site B_ion occupancy
Pb 1.0
loop_
_site X_ion occupancy
I 1.0

_geometry.t_goldschmidt: 0.9115
_geometry.mu_octahedral: 0.5409

_targets.band_gap_eV: 1.6
_targets.T80_hours: 200
_initial.JV_default_PCE_percent: 19.1


[User]
You are a materials design assistant. Produce a CIF-LITE block that encodes a halide perovskite candidate meeting the constraints.

Constraints:
- Allowed A-site ions: MA
- Allowed B-site ions: Pb
- Allowed X-site ions: I
- Preferred perovskite dimensionality: 3D
- Band gap window (eV): 1.500 - 1.700
- Minimum stability (T80, hours): 15
- Initial efficiency (JV_default_PCE, %): nan
- Soft geometry constraints: t in [0.86, 0.96], μ in [0.49, 0.59] (target t≈0.91, μ≈0.54)
- Notes: Prefer processing similar to exemplars. Use LONG composition strings.

Return only this block:

# CIF-LITE v1
data_id: <free text label>
_chemical_formula_sum: <LONG composition string>
_perovskite_dimension: <3D|2D|2D3D|UNKNOWN>
_stack_sequence: <free text or UNKNOWN>
_film_thickness_nm: <number or UNKNOWN>
_deposition_procedure: <spin|blade|evap|spray|inkjet|UNKNOWN>
_anneal_temperature_C: <number or UNKNOWN>
_anneal_time_min: <number or UNKNOWN>
_anneal_atmosphere: <air|N2|vacuum|solvent_vapor|UNKNOWN>
_encapsulation: <Yes|No|UNKNOWN>

loop_
_site A_ion occupancy
<A_LOOP_ROWS>
loop_
_site B_ion occupancy
<B_LOOP_ROWS>
loop_
_site X_ion occupancy
<X_LOOP_ROWS>

_targets.band_gap_eV: <PREDICTED_Eg>
_targets.T80_hours: <PREDICTED_T80>

[Assistant]
# CIF-LITE v1
data_id: PD_30762
_chemical_formula_sum: MAPbI3
_perovskite_dimension: 3D
_stack_sequence: SLG | ITO | TiO2-c | Perovskite | PTAA | MoO3 | Ag
_film_thickness_nm: 350.0
_deposition_procedure: Spin-coating
_anneal_temperature_C: 100.0
_anneal_time_min: 10.0
_anneal_atmosphere: UNKNOWN
_encapsulation: No

loop_
_site A_ion occupancy
MA 1.0
loop_
_site B_ion occupancy
Pb 1.0
loop_
_site X_ion occupancy
I 1.0

_geometry.t_goldschmidt: 0.9115
_geometry.mu_octahedral: 0.5409

_targets.band_gap_eV: 1.6
_targets.T80_hours: 19
_initial.JV_default_PCE_percent: nan


[User]
You are a materials design assistant. Produce a CIF-LITE block that encodes a halide perovskite candidate meeting the constraints.

Constraints:
- Allowed A-site ions: FA
- Allowed B-site ions: Pb
- Allowed X-site ions: I
- Preferred perovskite dimensionality: 3D
- Band gap window (eV): 1.380 - 1.580
- Minimum stability (T80, hours): 124
- Initial efficiency (JV_default_PCE, %): 15.0
- Soft geometry constraints: t in [0.94, 1.04], μ in [0.49, 0.59] (target t≈0.99, μ≈0.54)
- Notes: Prefer processing similar to exemplars. Use LONG composition strings.

Return only this block:

# CIF-LITE v1
data_id: <free text label>
_chemical_formula_sum: <LONG composition string>
_perovskite_dimension: <3D|2D|2D3D|UNKNOWN>
_stack_sequence: <free text or UNKNOWN>
_film_thickness_nm: <number or UNKNOWN>
_deposition_procedure: <spin|blade|evap|spray|inkjet|UNKNOWN>
_anneal_temperature_C: <number or UNKNOWN>
_anneal_time_min: <number or UNKNOWN>
_anneal_atmosphere: <air|N2|vacuum|solvent_vapor|UNKNOWN>
_encapsulation: <Yes|No|UNKNOWN>

loop_
_site A_ion occupancy
<A_LOOP_ROWS>
loop_
_site B_ion occupancy
<B_LOOP_ROWS>
loop_
_site X_ion occupancy
<X_LOOP_ROWS>

_targets.band_gap_eV: <PREDICTED_Eg>
_targets.T80_hours: <PREDICTED_T80>

[Assistant]
# CIF-LITE v1
data_id: PD_34279
_chemical_formula_sum: FAPbI3
_perovskite_dimension: 3D
_stack_sequence: SLG | FTO | TiO2-c | Perovskite | Spiro-MeOTAD | Ag
_film_thickness_nm: UNKNOWN
_deposition_procedure: Spin-coating
_anneal_temperature_C: 150.0
_anneal_time_min: 30.0
_anneal_atmosphere: UNKNOWN
_encapsulation: No

loop_
_site A_ion occupancy
FA 1.0
loop_
_site B_ion occupancy
Pb 1.0
loop_
_site X_ion occupancy
I 1.0

_geometry.t_goldschmidt: 0.9866
_geometry.mu_octahedral: 0.5409

_targets.band_gap_eV: 1.48
_targets.T80_hours: 155
_initial.JV_default_PCE_percent: 15.0


[User]
You are a materials design assistant. Produce a CIF-LITE block that encodes a halide perovskite candidate meeting the constraints.

Constraints:
- Allowed A-site ions: MA
- Allowed B-site ions: Pb
- Allowed X-site ions: I
- Preferred perovskite dimensionality: 3D
- Band gap window (eV): 1.500 - 1.700
- Minimum stability (T80, hours): 304
- Initial efficiency (JV_default_PCE, %): 14.2
- Soft geometry constraints: t in [0.86, 0.96], μ in [0.49, 0.59] (target t≈0.91, μ≈0.54)
- Notes: Prefer processing similar to exemplars. Use LONG composition strings.

Return only this block:

# CIF-LITE v1
data_id: <free text label>
_chemical_formula_sum: <LONG composition string>
_perovskite_dimension: <3D|2D|2D3D|UNKNOWN>
_stack_sequence: <free text or UNKNOWN>
_film_thickness_nm: <number or UNKNOWN>
_deposition_procedure: <spin|blade|evap|spray|inkjet|UNKNOWN>
_anneal_temperature_C: <number or UNKNOWN>
_anneal_time_min: <number or UNKNOWN>
_anneal_atmosphere: <air|N2|vacuum|solvent_vapor|UNKNOWN>
_encapsulation: <Yes|No|UNKNOWN>

loop_
_site A_ion occupancy
<A_LOOP_ROWS>
loop_
_site B_ion occupancy
<B_LOOP_ROWS>
loop_
_site X_ion occupancy
<X_LOOP_ROWS>

_targets.band_gap_eV: <PREDICTED_Eg>
_targets.T80_hours: <PREDICTED_T80>

[Assistant]
# CIF-LITE v1
data_id: PD_31617
_chemical_formula_sum: MAPbI3
_perovskite_dimension: 3D
_stack_sequence: SLG | ITO | PEDOT:PSS | Perovskite | PCBM-60 | Ag
_film_thickness_nm: UNKNOWN
_deposition_procedure: Spin-coating
_anneal_temperature_C: -173.14999999999998
_anneal_time_min: UNKNOWN
_anneal_atmosphere: UNKNOWN
_encapsulation: No

loop_
_site A_ion occupancy
MA 1.0
loop_
_site B_ion occupancy
Pb 1.0
loop_
_site X_ion occupancy
I 1.0

_geometry.t_goldschmidt: 0.9115
_geometry.mu_octahedral: 0.5409

_targets.band_gap_eV: 1.6
_targets.T80_hours: 381
_initial.JV_default_PCE_percent: 14.2


[User]
You are a materials design assistant. Produce a CIF-LITE block that encodes a halide perovskite candidate meeting the constraints.

Constraints:
- Allowed A-site ions: MA
- Allowed B-site ions: Pb
- Allowed X-site ions: I
- Preferred perovskite dimensionality: 3D
- Band gap window (eV): 1.500 - 1.700
- Minimum stability (T80, hours): 576
- Initial efficiency (JV_default_PCE, %): 18.4
- Soft geometry constraints: t in [0.86, 0.96], μ in [0.49, 0.59] (target t≈0.91, μ≈0.54)
- Notes: Prefer processing similar to exemplars. Use LONG composition strings.

Return only this block:

# CIF-LITE v1
data_id: <free text label>
_chemical_formula_sum: <LONG composition string>
_perovskite_dimension: <3D|2D|2D3D|UNKNOWN>
_stack_sequence: <free text or UNKNOWN>
_film_thickness_nm: <number or UNKNOWN>
_deposition_procedure: <spin|blade|evap|spray|inkjet|UNKNOWN>
_anneal_temperature_C: <number or UNKNOWN>
_anneal_time_min: <number or UNKNOWN>
_anneal_atmosphere: <air|N2|vacuum|solvent_vapor|UNKNOWN>
_encapsulation: <Yes|No|UNKNOWN>

loop_
_site A_ion occupancy
<A_LOOP_ROWS>
loop_
_site B_ion occupancy
<B_LOOP_ROWS>
loop_
_site X_ion occupancy
<X_LOOP_ROWS>

_targets.band_gap_eV: <PREDICTED_Eg>
_targets.T80_hours: <PREDICTED_T80>

[Assistant]
# CIF-LITE v1
data_id: PD_970
_chemical_formula_sum: MAPbI3
_perovskite_dimension: 3D
_stack_sequence: SLG | FTO | TiO2-c | TiO2-mp | Perovskite | Spiro-MeOTAD | Ag
_film_thickness_nm: 400.0
_deposition_procedure: Spin-coating
_anneal_temperature_C: 65.0
_anneal_time_min: UNKNOWN
_anneal_atmosphere: UNKNOWN
_encapsulation: No

loop_
_site A_ion occupancy
MA 1.0
loop_
_site B_ion occupancy
Pb 1.0
loop_
_site X_ion occupancy
I 1.0

_geometry.t_goldschmidt: 0.9115
_geometry.mu_octahedral: 0.5409

_targets.band_gap_eV: 1.6
_targets.T80_hours: 720
_initial.JV_default_PCE_percent: 18.4


[User]
You are a materials design assistant. Produce a CIF-LITE block that encodes a halide perovskite candidate meeting the constraints.

Constraints:
- Allowed A-site ions: Cs
- Allowed B-site ions: Pb
- Allowed X-site ions: I
- Preferred perovskite dimensionality: 3D
- Band gap window (eV): 1.630 - 1.830
- Minimum stability (T80, hours): 68
- Initial efficiency (JV_default_PCE, %): 10.6
- Soft geometry constraints: t in [0.85, 0.90], μ in [0.49, 0.59] (target t≈0.85, μ≈0.54)
- Notes: Prefer processing similar to exemplars. Use LONG composition strings.

Return only this block:

# CIF-LITE v1
data_id: <free text label>
_chemical_formula_sum: <LONG composition string>
_perovskite_dimension: <3D|2D|2D3D|UNKNOWN>
_stack_sequence: <free text or UNKNOWN>
_film_thickness_nm: <number or UNKNOWN>
_deposition_procedure: <spin|blade|evap|spray|inkjet|UNKNOWN>
_anneal_temperature_C: <number or UNKNOWN>
_anneal_time_min: <number or UNKNOWN>
_anneal_atmosphere: <air|N2|vacuum|solvent_vapor|UNKNOWN>
_encapsulation: <Yes|No|UNKNOWN>

loop_
_site A_ion occupancy
<A_LOOP_ROWS>
loop_
_site B_ion occupancy
<B_LOOP_ROWS>
loop_
_site X_ion occupancy
<X_LOOP_ROWS>

_targets.band_gap_eV: <PREDICTED_Eg>
_targets.T80_hours: <PREDICTED_T80>

[Assistant]
# CIF-LITE v1
data_id: PD_3773
_chemical_formula_sum: CsPbI3
_perovskite_dimension: 3D
_stack_sequence: SLG | FTO | TiO2-c | TiO2-mp | Perovskite | Carbon
_film_thickness_nm: UNKNOWN
_deposition_procedure: Spin-coating
_anneal_temperature_C: 100.0
_anneal_time_min: 20.0
_anneal_atmosphere: UNKNOWN
_encapsulation: No

loop_
_site A_ion occupancy
Cs 1.0
loop_
_site B_ion occupancy
Pb 1.0
loop_
_site X_ion occupancy
I 1.0

_geometry.t_goldschmidt: 0.8510
_geometry.mu_octahedral: 0.5409

_targets.band_gap_eV: 1.73
_targets.T80_hours: 85
_initial.JV_default_PCE_percent: 10.6


[User]
You are a materials design assistant. Produce a CIF-LITE block that encodes a halide perovskite candidate meeting the constraints.

Constraints:
- Allowed A-site ions: MA
- Allowed B-site ions: Pb
- Allowed X-site ions: I
- Preferred perovskite dimensionality: 3D
- Band gap window (eV): 1.500 - 1.700
- Minimum stability (T80, hours): 552
- Initial efficiency (JV_default_PCE, %): nan
- Soft geometry constraints: t in [0.86, 0.96], μ in [0.49, 0.59] (target t≈0.91, μ≈0.54)
- Notes: Prefer processing similar to exemplars. Use LONG composition strings.

Return only this block:

# CIF-LITE v1
data_id: <free text label>
_chemical_formula_sum: <LONG composition string>
_perovskite_dimension: <3D|2D|2D3D|UNKNOWN>
_stack_sequence: <free text or UNKNOWN>
_film_thickness_nm: <number or UNKNOWN>
_deposition_procedure: <spin|blade|evap|spray|inkjet|UNKNOWN>
_anneal_temperature_C: <number or UNKNOWN>
_anneal_time_min: <number or UNKNOWN>
_anneal_atmosphere: <air|N2|vacuum|solvent_vapor|UNKNOWN>
_encapsulation: <Yes|No|UNKNOWN>

loop_
_site A_ion occupancy
<A_LOOP_ROWS>
loop_
_site B_ion occupancy
<B_LOOP_ROWS>
loop_
_site X_ion occupancy
<X_LOOP_ROWS>

_targets.band_gap_eV: <PREDICTED_Eg>
_targets.T80_hours: <PREDICTED_T80>

[Assistant]
# CIF-LITE v1
data_id: PD_37221
_chemical_formula_sum: MAPbI3
_perovskite_dimension: 3D
_stack_sequence: SLG | FTO | TiO2-c | TiO2-mp | Perovskite | Spiro-MeOTAD | Au
_film_thickness_nm: UNKNOWN
_deposition_procedure: Spin-coating
_anneal_temperature_C: UNKNOWN
_anneal_time_min: UNKNOWN
_anneal_atmosphere: UNKNOWN
_encapsulation: Yes

loop_
_site A_ion occupancy
MA 1.0
loop_
_site B_ion occupancy
Pb 1.0
loop_
_site X_ion occupancy
I 1.0

_geometry.t_goldschmidt: 0.9115
_geometry.mu_octahedral: 0.5409

_targets.band_gap_eV: 1.6
_targets.T80_hours: 690
_initial.JV_default_PCE_percent: nan


[User]
You are a materials design assistant. Produce a CIF-LITE block that encodes a halide perovskite candidate meeting the constraints.

Constraints:
- Allowed A-site ions: MA
- Allowed B-site ions: Pb
- Allowed X-site ions: I
- Preferred perovskite dimensionality: 3D
- Band gap window (eV): 1.490 - 1.690
- Minimum stability (T80, hours): 80
- Initial efficiency (JV_default_PCE, %): 13.8
- Soft geometry constraints: t in [0.86, 0.96], μ in [0.49, 0.59] (target t≈0.91, μ≈0.54)
- Notes: Prefer processing similar to exemplars. Use LONG composition strings.

Return only this block:

# CIF-LITE v1
data_id: <free text label>
_chemical_formula_sum: <LONG composition string>
_perovskite_dimension: <3D|2D|2D3D|UNKNOWN>
_stack_sequence: <free text or UNKNOWN>
_film_thickness_nm: <number or UNKNOWN>
_deposition_procedure: <spin|blade|evap|spray|inkjet|UNKNOWN>
_anneal_temperature_C: <number or UNKNOWN>
_anneal_time_min: <number or UNKNOWN>
_anneal_atmosphere: <air|N2|vacuum|solvent_vapor|UNKNOWN>
_encapsulation: <Yes|No|UNKNOWN>

loop_
_site A_ion occupancy
<A_LOOP_ROWS>
loop_
_site B_ion occupancy
<B_LOOP_ROWS>
loop_
_site X_ion occupancy
<X_LOOP_ROWS>

_targets.band_gap_eV: <PREDICTED_Eg>
_targets.T80_hours: <PREDICTED_T80>

[Assistant]
# CIF-LITE v1
data_id: PD_12962
_chemical_formula_sum: MAPbI3
_perovskite_dimension: 3D
_stack_sequence: SLG | ITO | PEDOT:PSS | Perovskite | PCBM-60 | BCP | Ag
_film_thickness_nm: 300.0
_deposition_procedure: Spin-coating
_anneal_temperature_C: 100.0
_anneal_time_min: 5.0
_anneal_atmosphere: UNKNOWN
_encapsulation: No

loop_
_site A_ion occupancy
MA 1.0
loop_
_site B_ion occupancy
Pb 1.0
loop_
_site X_ion occupancy
I 1.0

_geometry.t_goldschmidt: 0.9115
_geometry.mu_octahedral: 0.5409

_targets.band_gap_eV: 1.59
_targets.T80_hours: 100
_initial.JV_default_PCE_percent: 13.8


[User]
You are a materials design assistant. Produce a CIF-LITE block that encodes a halide perovskite candidate meeting the constraints.

Constraints:
- Allowed A-site ions: MA
- Allowed B-site ions: Pb
- Allowed X-site ions: I
- Preferred perovskite dimensionality: 3D
- Band gap window (eV): 1.500 - 1.700
- Minimum stability (T80, hours): 144
- Initial efficiency (JV_default_PCE, %): nan
- Soft geometry constraints: t in [0.86, 0.96], μ in [0.49, 0.59] (target t≈0.91, μ≈0.54)
- Notes: Prefer processing similar to exemplars. Use LONG composition strings.

Return only this block:

# CIF-LITE v1
data_id: <free text label>
_chemical_formula_sum: <LONG composition string>
_perovskite_dimension: <3D|2D|2D3D|UNKNOWN>
_stack_sequence: <free text or UNKNOWN>
_film_thickness_nm: <number or UNKNOWN>
_deposition_procedure: <spin|blade|evap|spray|inkjet|UNKNOWN>
_anneal_temperature_C: <number or UNKNOWN>
_anneal_time_min: <number or UNKNOWN>
_anneal_atmosphere: <air|N2|vacuum|solvent_vapor|UNKNOWN>
_encapsulation: <Yes|No|UNKNOWN>

loop_
_site A_ion occupancy
<A_LOOP_ROWS>
loop_
_site B_ion occupancy
<B_LOOP_ROWS>
loop_
_site X_ion occupancy
<X_LOOP_ROWS>

_targets.band_gap_eV: <PREDICTED_Eg>
_targets.T80_hours: <PREDICTED_T80>

[Assistant]
# CIF-LITE v1
data_id: PD_23317
_chemical_formula_sum: MAPbI3
_perovskite_dimension: 3D
_stack_sequence: SLG | FTO | PEDOT:PSS | Perovskite | PCBM-60 | BCP | Ag
_film_thickness_nm: 300.0
_deposition_procedure: Spin-coating
_anneal_temperature_C: -153.14999999999998
_anneal_time_min: UNKNOWN
_anneal_atmosphere: UNKNOWN
_encapsulation: No

loop_
_site A_ion occupancy
MA 1.0
loop_
_site B_ion occupancy
Pb 1.0
loop_
_site X_ion occupancy
I 1.0

_geometry.t_goldschmidt: 0.9115
_geometry.mu_octahedral: 0.5409

_targets.band_gap_eV: 1.6
_targets.T80_hours: 180
_initial.JV_default_PCE_percent: nan


[User]
You are a materials design assistant. Produce a CIF-LITE block that encodes a halide perovskite candidate meeting the constraints.

Constraints:
- Allowed A-site ions: MA
- Allowed B-site ions: Pb
- Allowed X-site ions: I
- Preferred perovskite dimensionality: 3D
- Band gap window (eV): 1.500 - 1.700
- Minimum stability (T80, hours): 1
- Initial efficiency (JV_default_PCE, %): 7.2
- Soft geometry constraints: t in [0.86, 0.96], μ in [0.49, 0.59] (target t≈0.91, μ≈0.54)
- Notes: Prefer processing similar to exemplars. Use LONG composition strings.

Return only this block:

# CIF-LITE v1
data_id: <free text label>
_chemical_formula_sum: <LONG composition string>
_perovskite_dimension: <3D|2D|2D3D|UNKNOWN>
_stack_sequence: <free text or UNKNOWN>
_film_thickness_nm: <number or UNKNOWN>
_deposition_procedure: <spin|blade|evap|spray|inkjet|UNKNOWN>
_anneal_temperature_C: <number or UNKNOWN>
_anneal_time_min: <number or UNKNOWN>
_anneal_atmosphere: <air|N2|vacuum|solvent_vapor|UNKNOWN>
_encapsulation: <Yes|No|UNKNOWN>

loop_
_site A_ion occupancy
<A_LOOP_ROWS>
loop_
_site B_ion occupancy
<B_LOOP_ROWS>
loop_
_site X_ion occupancy
<X_LOOP_ROWS>

_targets.band_gap_eV: <PREDICTED_Eg>
_targets.T80_hours: <PREDICTED_T80>

[Assistant]
# CIF-LITE v1
data_id: PD_19981
_chemical_formula_sum: MAPbI3
_perovskite_dimension: 3D
_stack_sequence: SLG | ITO | PEDOT:PSS | Perovskite | PCBM-60 | Al
_film_thickness_nm: UNKNOWN
_deposition_procedure: Spin-coating
_anneal_temperature_C: 80.0
_anneal_time_min: 15.0
_anneal_atmosphere: UNKNOWN
_encapsulation: No

loop_
_site A_ion occupancy
MA 1.0
loop_
_site B_ion occupancy
Pb 1.0
loop_
_site X_ion occupancy
I 1.0

_geometry.t_goldschmidt: 0.9115
_geometry.mu_octahedral: 0.5409

_targets.band_gap_eV: 1.6
_targets.T80_hours: 0
_initial.JV_default_PCE_percent: 7.2


[User]
You are a materials design assistant. Produce a CIF-LITE block that encodes a halide perovskite candidate meeting the constraints.

Constraints:
- Allowed A-site ions: MA
- Allowed B-site ions: Pb
- Allowed X-site ions: I
- Preferred perovskite dimensionality: 3D
- Band gap window (eV): 1.490 - 1.690
- Minimum stability (T80, hours): 160
- Initial efficiency (JV_default_PCE, %): 15.3
- Soft geometry constraints: t in [0.86, 0.96], μ in [0.49, 0.59] (target t≈0.91, μ≈0.54)
- Notes: Prefer processing similar to exemplars. Use LONG composition strings.

Return only this block:

# CIF-LITE v1
data_id: <free text label>
_chemical_formula_sum: <LONG composition string>
_perovskite_dimension: <3D|2D|2D3D|UNKNOWN>
_stack_sequence: <free text or UNKNOWN>
_film_thickness_nm: <number or UNKNOWN>
_deposition_procedure: <spin|blade|evap|spray|inkjet|UNKNOWN>
_anneal_temperature_C: <number or UNKNOWN>
_anneal_time_min: <number or UNKNOWN>
_anneal_atmosphere: <air|N2|vacuum|solvent_vapor|UNKNOWN>
_encapsulation: <Yes|No|UNKNOWN>

loop_
_site A_ion occupancy
<A_LOOP_ROWS>
loop_
_site B_ion occupancy
<B_LOOP_ROWS>
loop_
_site X_ion occupancy
<X_LOOP_ROWS>

_targets.band_gap_eV: <PREDICTED_Eg>
_targets.T80_hours: <PREDICTED_T80>

[Assistant]
# CIF-LITE v1
data_id: PD_12961
_chemical_formula_sum: MAPbI3
_perovskite_dimension: 3D
_stack_sequence: SLG | ITO | PEDOT:PSS | Perovskite | PCBM-60 | BCP | Ag
_film_thickness_nm: 300.0
_deposition_procedure: Spin-coating
_anneal_temperature_C: 100.0
_anneal_time_min: 5.0
_anneal_atmosphere: UNKNOWN
_encapsulation: No

loop_
_site A_ion occupancy
MA 1.0
loop_
_site B_ion occupancy
Pb 1.0
loop_
_site X_ion occupancy
I 1.0

_geometry.t_goldschmidt: 0.9115
_geometry.mu_octahedral: 0.5409

_targets.band_gap_eV: 1.59
_targets.T80_hours: 200
_initial.JV_default_PCE_percent: 15.3


[User]
You are a materials design assistant. Produce a CIF-LITE block that encodes a halide perovskite candidate meeting the constraints.

Constraints:
- Allowed A-site ions: Cs, FA, MA
- Allowed B-site ions: Pb
- Allowed X-site ions: Br, I
- Preferred perovskite dimensionality: 3D
- Band gap window (eV): 1.520 - 1.720
- Minimum stability (T80, hours): 216
- Initial efficiency (JV_default_PCE, %): 18.9
- Soft geometry constraints: t in [0.92, 1.02], μ in [0.50, 0.60] (target t≈0.97, μ≈0.55)
- Notes: Prefer processing similar to exemplars. Use LONG composition strings.

Return only this block:

# CIF-LITE v1
data_id: <free text label>
_chemical_formula_sum: <LONG composition string>
_perovskite_dimension: <3D|2D|2D3D|UNKNOWN>
_stack_sequence: <free text or UNKNOWN>
_film_thickness_nm: <number or UNKNOWN>
_deposition_procedure: <spin|blade|evap|spray|inkjet|UNKNOWN>
_anneal_temperature_C: <number or UNKNOWN>
_anneal_time_min: <number or UNKNOWN>
_anneal_atmosphere: <air|N2|vacuum|solvent_vapor|UNKNOWN>
_encapsulation: <Yes|No|UNKNOWN>

loop_
_site A_ion occupancy
<A_LOOP_ROWS>
loop_
_site B_ion occupancy
<B_LOOP_ROWS>
loop_
_site X_ion occupancy
<X_LOOP_ROWS>

_targets.band_gap_eV: <PREDICTED_Eg>
_targets.T80_hours: <PREDICTED_T80>

[Assistant]
# CIF-LITE v1
data_id: PD_1796
_chemical_formula_sum: Cs0.05FA0.81MA0.14PbBr0.45I2.55
_perovskite_dimension: 3D
_stack_sequence: SLG | ITO | SnO2-c | Perovskite | Spiro-MeOTAD | Au
_film_thickness_nm: UNKNOWN
_deposition_procedure: Spin-coating
_anneal_temperature_C: 105.0
_anneal_time_min: 40.0
_anneal_atmosphere: UNKNOWN
_encapsulation: Yes

loop_
_site A_ion occupancy
FA 0.81
MA 0.14
Cs 0.05
loop_
_site B_ion occupancy
Pb 1.0
loop_
_site X_ion occupancy
I 0.85
Br 0.15

_geometry.t_goldschmidt: 0.9721
_geometry.mu_octahedral: 0.5499

_targets.band_gap_eV: 1.62
_targets.T80_hours: 270
_initial.JV_default_PCE_percent: 18.9


[User]
You are a materials design assistant. Produce a CIF-LITE block that encodes a halide perovskite candidate meeting the constraints.

Constraints:
- Allowed A-site ions: MA
- Allowed B-site ions: Pb
- Allowed X-site ions: I
- Preferred perovskite dimensionality: 3D
- Band gap window (eV): 1.500 - 1.700
- Minimum stability (T80, hours): 257
- Initial efficiency (JV_default_PCE, %): 13.8
- Soft geometry constraints: t in [0.86, 0.96], μ in [0.49, 0.59] (target t≈0.91, μ≈0.54)
- Notes: Prefer processing similar to exemplars. Use LONG composition strings.

Return only this block:

# CIF-LITE v1
data_id: <free text label>
_chemical_formula_sum: <LONG composition string>
_perovskite_dimension: <3D|2D|2D3D|UNKNOWN>
_stack_sequence: <free text or UNKNOWN>
_film_thickness_nm: <number or UNKNOWN>
_deposition_procedure: <spin|blade|evap|spray|inkjet|UNKNOWN>
_anneal_temperature_C: <number or UNKNOWN>
_anneal_time_min: <number or UNKNOWN>
_anneal_atmosphere: <air|N2|vacuum|solvent_vapor|UNKNOWN>
_encapsulation: <Yes|No|UNKNOWN>

loop_
_site A_ion occupancy
<A_LOOP_ROWS>
loop_
_site B_ion occupancy
<B_LOOP_ROWS>
loop_
_site X_ion occupancy
<X_LOOP_ROWS>

_targets.band_gap_eV: <PREDICTED_Eg>
_targets.T80_hours: <PREDICTED_T80>

[Assistant]
# CIF-LITE v1
data_id: PD_14889
_chemical_formula_sum: MAPbI3
_perovskite_dimension: 3D
_stack_sequence: SLG | ITO | PEDOT:PSS | Dex-CB-MA | Perovskite | PCBM-60 | Al
_film_thickness_nm: UNKNOWN
_deposition_procedure: Spin-coating
_anneal_temperature_C: 85.0
_anneal_time_min: UNKNOWN
_anneal_atmosphere: UNKNOWN
_encapsulation: No

loop_
_site A_ion occupancy
MA 1.0
loop_
_site B_ion occupancy
Pb 1.0
loop_
_site X_ion occupancy
I 1.0

_geometry.t_goldschmidt: 0.9115
_geometry.mu_octahedral: 0.5409

_targets.band_gap_eV: 1.6
_targets.T80_hours: 322
_initial.JV_default_PCE_percent: 13.8


[User]
You are a materials design assistant. Produce a CIF-LITE block that encodes a halide perovskite candidate meeting the constraints.

Constraints:
- Allowed A-site ions: MA
- Allowed B-site ions: Pb
- Allowed X-site ions: I
- Preferred perovskite dimensionality: 3D
- Band gap window (eV): 1.400 - 1.600
- Minimum stability (T80, hours): 1280
- Initial efficiency (JV_default_PCE, %): 10.5
- Soft geometry constraints: t in [0.86, 0.96], μ in [0.49, 0.59] (target t≈0.91, μ≈0.54)
- Notes: Prefer processing similar to exemplars. Use LONG composition strings.

Return only this block:

# CIF-LITE v1
data_id: <free text label>
_chemical_formula_sum: <LONG composition string>
_perovskite_dimension: <3D|2D|2D3D|UNKNOWN>
_stack_sequence: <free text or UNKNOWN>
_film_thickness_nm: <number or UNKNOWN>
_deposition_procedure: <spin|blade|evap|spray|inkjet|UNKNOWN>
_anneal_temperature_C: <number or UNKNOWN>
_anneal_time_min: <number or UNKNOWN>
_anneal_atmosphere: <air|N2|vacuum|solvent_vapor|UNKNOWN>
_encapsulation: <Yes|No|UNKNOWN>

loop_
_site A_ion occupancy
<A_LOOP_ROWS>
loop_
_site B_ion occupancy
<B_LOOP_ROWS>
loop_
_site X_ion occupancy
<X_LOOP_ROWS>

_targets.band_gap_eV: <PREDICTED_Eg>
_targets.T80_hours: <PREDICTED_T80>

[Assistant]
# CIF-LITE v1
data_id: PD_38596
_chemical_formula_sum: MAPbI3
_perovskite_dimension: 3D
_stack_sequence: SLG | FTO | TiO2-c | TiO2-mp | ZrO2-mp | Perovskite | NiO-np | Carbon
_film_thickness_nm: 2000.0
_deposition_procedure: Drop-Infiltration
_anneal_temperature_C: UNKNOWN
_anneal_time_min: UNKNOWN
_anneal_atmosphere: UNKNOWN
_encapsulation: No

loop_
_site A_ion occupancy
MA 1.0
loop_
_site B_ion occupancy
Pb 1.0
loop_
_site X_ion occupancy
I 1.0

_geometry.t_goldschmidt: 0.9115
_geometry.mu_octahedral: 0.5409

_targets.band_gap_eV: 1.5
_targets.T80_hours: 1600
_initial.JV_default_PCE_percent: 10.5


[User]
You are a materials design assistant. Produce a CIF-LITE block that encodes a halide perovskite candidate meeting the constraints.

Constraints:
- Allowed A-site ions: MA
- Allowed B-site ions: Pb
- Allowed X-site ions: I
- Preferred perovskite dimensionality: 3D
- Band gap window (eV): 1.500 - 1.700
- Minimum stability (T80, hours): 80
- Initial efficiency (JV_default_PCE, %): 7.9
- Soft geometry constraints: t in [0.86, 0.96], μ in [0.49, 0.59] (target t≈0.91, μ≈0.54)
- Notes: Prefer processing similar to exemplars. Use LONG composition strings.

Return only this block:

# CIF-LITE v1
data_id: <free text label>
_chemical_formula_sum: <LONG composition string>
_perovskite_dimension: <3D|2D|2D3D|UNKNOWN>
_stack_sequence: <free text or UNKNOWN>
_film_thickness_nm: <number or UNKNOWN>
_deposition_procedure: <spin|blade|evap|spray|inkjet|UNKNOWN>
_anneal_temperature_C: <number or UNKNOWN>
_anneal_time_min: <number or UNKNOWN>
_anneal_atmosphere: <air|N2|vacuum|solvent_vapor|UNKNOWN>
_encapsulation: <Yes|No|UNKNOWN>

loop_
_site A_ion occupancy
<A_LOOP_ROWS>
loop_
_site B_ion occupancy
<B_LOOP_ROWS>
loop_
_site X_ion occupancy
<X_LOOP_ROWS>

_targets.band_gap_eV: <PREDICTED_Eg>
_targets.T80_hours: <PREDICTED_T80>

[Assistant]
# CIF-LITE v1
data_id: PD_7883
_chemical_formula_sum: MAPbI3
_perovskite_dimension: 3D
_stack_sequence: SLG | FTO | TiO2-c | TiO2-mp | Perovskite | P3HT | Au
_film_thickness_nm: UNKNOWN
_deposition_procedure: Spin-coating
_anneal_temperature_C: -173.14999999999998
_anneal_time_min: UNKNOWN
_anneal_atmosphere: UNKNOWN
_encapsulation: No

loop_
_site A_ion occupancy
MA 1.0
loop_
_site B_ion occupancy
Pb 1.0
loop_
_site X_ion occupancy
I 1.0

_geometry.t_goldschmidt: 0.9115
_geometry.mu_octahedral: 0.5409

_targets.band_gap_eV: 1.6
_targets.T80_hours: 100
_initial.JV_default_PCE_percent: 7.9


[User]
You are a materials design assistant. Produce a CIF-LITE block that encodes a halide perovskite candidate meeting the constraints.

Constraints:
- Allowed A-site ions: MA
- Allowed B-site ions: Pb
- Allowed X-site ions: I
- Preferred perovskite dimensionality: 3D
- Band gap window (eV): 1.460 - 1.660
- Minimum stability (T80, hours): 115
- Initial efficiency (JV_default_PCE, %): 15.6
- Soft geometry constraints: t in [0.86, 0.96], μ in [0.49, 0.59] (target t≈0.91, μ≈0.54)
- Notes: Prefer processing similar to exemplars. Use LONG composition strings.

Return only this block:

# CIF-LITE v1
data_id: <free text label>
_chemical_formula_sum: <LONG composition string>
_perovskite_dimension: <3D|2D|2D3D|UNKNOWN>
_stack_sequence: <free text or UNKNOWN>
_film_thickness_nm: <number or UNKNOWN>
_deposition_procedure: <spin|blade|evap|spray|inkjet|UNKNOWN>
_anneal_temperature_C: <number or UNKNOWN>
_anneal_time_min: <number or UNKNOWN>
_anneal_atmosphere: <air|N2|vacuum|solvent_vapor|UNKNOWN>
_encapsulation: <Yes|No|UNKNOWN>

loop_
_site A_ion occupancy
<A_LOOP_ROWS>
loop_
_site B_ion occupancy
<B_LOOP_ROWS>
loop_
_site X_ion occupancy
<X_LOOP_ROWS>

_targets.band_gap_eV: <PREDICTED_Eg>
_targets.T80_hours: <PREDICTED_T80>

[Assistant]
# CIF-LITE v1
data_id: PD_35646
_chemical_formula_sum: MAPbI3
_perovskite_dimension: 3D
_stack_sequence: SLG | FTO | TiO2-c | Perovskite | Spiro-MeOTAD | Ag
_film_thickness_nm: UNKNOWN
_deposition_procedure: Spin-coating
_anneal_temperature_C: 60.0
_anneal_time_min: UNKNOWN
_anneal_atmosphere: UNKNOWN
_encapsulation: No

loop_
_site A_ion occupancy
MA 1.0
loop_
_site B_ion occupancy
Pb 1.0
loop_
_site X_ion occupancy
I 1.0

_geometry.t_goldschmidt: 0.9115
_geometry.mu_octahedral: 0.5409

_targets.band_gap_eV: 1.56
_targets.T80_hours: 144
_initial.JV_default_PCE_percent: 15.6


[User]
You are a materials design assistant. Produce a CIF-LITE block that encodes a halide perovskite candidate meeting the constraints.

Constraints:
- Allowed A-site ions: MA
- Allowed B-site ions: Pb
- Allowed X-site ions: I
- Preferred perovskite dimensionality: 3D
- Band gap window (eV): 1.450 - 1.650
- Minimum stability (T80, hours): 240
- Initial efficiency (JV_default_PCE, %): 17.4
- Soft geometry constraints: t in [0.86, 0.96], μ in [0.49, 0.59] (target t≈0.91, μ≈0.54)
- Notes: Prefer processing similar to exemplars. Use LONG composition strings.

Return only this block:

# CIF-LITE v1
data_id: <free text label>
_chemical_formula_sum: <LONG composition string>
_perovskite_dimension: <3D|2D|2D3D|UNKNOWN>
_stack_sequence: <free text or UNKNOWN>
_film_thickness_nm: <number or UNKNOWN>
_deposition_procedure: <spin|blade|evap|spray|inkjet|UNKNOWN>
_anneal_temperature_C: <number or UNKNOWN>
_anneal_time_min: <number or UNKNOWN>
_anneal_atmosphere: <air|N2|vacuum|solvent_vapor|UNKNOWN>
_encapsulation: <Yes|No|UNKNOWN>

loop_
_site A_ion occupancy
<A_LOOP_ROWS>
loop_
_site B_ion occupancy
<B_LOOP_ROWS>
loop_
_site X_ion occupancy
<X_LOOP_ROWS>

_targets.band_gap_eV: <PREDICTED_Eg>
_targets.T80_hours: <PREDICTED_T80>

[Assistant]
# CIF-LITE v1
data_id: PD_27913
_chemical_formula_sum: MAPbI3
_perovskite_dimension: 3D
_stack_sequence: SLG | FTO | TiO2-nw | Perovskite | Spiro-MeOTAD | Au
_film_thickness_nm: 360.0
_deposition_procedure: Spin-coating
_anneal_temperature_C: 100.0
_anneal_time_min: 15.0
_anneal_atmosphere: UNKNOWN
_encapsulation: No

loop_
_site A_ion occupancy
MA 1.0
loop_
_site B_ion occupancy
Pb 1.0
loop_
_site X_ion occupancy
I 1.0

_geometry.t_goldschmidt: 0.9115
_geometry.mu_octahedral: 0.5409

_targets.band_gap_eV: 1.55
_targets.T80_hours: 300
_initial.JV_default_PCE_percent: 17.4


[User]
You are a materials design assistant. Produce a CIF-LITE block that encodes a halide perovskite candidate meeting the constraints.

Constraints:
- Allowed A-site ions: MA
- Allowed B-site ions: Pb
- Allowed X-site ions: I
- Preferred perovskite dimensionality: 3D
- Band gap window (eV): 1.500 - 1.700
- Minimum stability (T80, hours): 2
- Initial efficiency (JV_default_PCE, %): 5.4
- Soft geometry constraints: t in [0.86, 0.96], μ in [0.49, 0.59] (target t≈0.91, μ≈0.54)
- Notes: Prefer processing similar to exemplars. Use LONG composition strings.

Return only this block:

# CIF-LITE v1
data_id: <free text label>
_chemical_formula_sum: <LONG composition string>
_perovskite_dimension: <3D|2D|2D3D|UNKNOWN>
_stack_sequence: <free text or UNKNOWN>
_film_thickness_nm: <number or UNKNOWN>
_deposition_procedure: <spin|blade|evap|spray|inkjet|UNKNOWN>
_anneal_temperature_C: <number or UNKNOWN>
_anneal_time_min: <number or UNKNOWN>
_anneal_atmosphere: <air|N2|vacuum|solvent_vapor|UNKNOWN>
_encapsulation: <Yes|No|UNKNOWN>

loop_
_site A_ion occupancy
<A_LOOP_ROWS>
loop_
_site B_ion occupancy
<B_LOOP_ROWS>
loop_
_site X_ion occupancy
<X_LOOP_ROWS>

_targets.band_gap_eV: <PREDICTED_Eg>
_targets.T80_hours: <PREDICTED_T80>

[Assistant]
# CIF-LITE v1
data_id: PD_32456
_chemical_formula_sum: MAPbI3
_perovskite_dimension: 3D
_stack_sequence: SLG | ITO | ZnO-np | Perovskite | P3HT | P3HT; PMMA | Ag
_film_thickness_nm: UNKNOWN
_deposition_procedure: Spin-coating
_anneal_temperature_C: UNKNOWN
_anneal_time_min: UNKNOWN
_anneal_atmosphere: UNKNOWN
_encapsulation: No

loop_
_site A_ion occupancy
MA 1.0
loop_
_site B_ion occupancy
Pb 1.0
loop_
_site X_ion occupancy
I 1.0

_geometry.t_goldschmidt: 0.9115
_geometry.mu_octahedral: 0.5409

_targets.band_gap_eV: 1.6
_targets.T80_hours: 2
_initial.JV_default_PCE_percent: 5.4


[User]
You are a materials design assistant. Produce a CIF-LITE block that encodes a halide perovskite candidate meeting the constraints.

Constraints:
- Allowed A-site ions: MA
- Allowed B-site ions: Pb
- Allowed X-site ions: I
- Preferred perovskite dimensionality: 3D
- Band gap window (eV): 1.500 - 1.700
- Minimum stability (T80, hours): 600
- Initial efficiency (JV_default_PCE, %): nan
- Soft geometry constraints: t in [0.86, 0.96], μ in [0.49, 0.59] (target t≈0.91, μ≈0.54)
- Notes: Prefer processing similar to exemplars. Use LONG composition strings.

Return only this block:

# CIF-LITE v1
data_id: <free text label>
_chemical_formula_sum: <LONG composition string>
_perovskite_dimension: <3D|2D|2D3D|UNKNOWN>
_stack_sequence: <free text or UNKNOWN>
_film_thickness_nm: <number or UNKNOWN>
_deposition_procedure: <spin|blade|evap|spray|inkjet|UNKNOWN>
_anneal_temperature_C: <number or UNKNOWN>
_anneal_time_min: <number or UNKNOWN>
_anneal_atmosphere: <air|N2|vacuum|solvent_vapor|UNKNOWN>
_encapsulation: <Yes|No|UNKNOWN>

loop_
_site A_ion occupancy
<A_LOOP_ROWS>
loop_
_site B_ion occupancy
<B_LOOP_ROWS>
loop_
_site X_ion occupancy
<X_LOOP_ROWS>

_targets.band_gap_eV: <PREDICTED_Eg>
_targets.T80_hours: <PREDICTED_T80>

[Assistant]
# CIF-LITE v1
data_id: PD_24269
_chemical_formula_sum: MAPbI3
_perovskite_dimension: 3D
_stack_sequence: SLG | FTO | TiO2-c | TiO2-mp | Perovskite | Spiro-MeOTAD | Au
_film_thickness_nm: 400.0
_deposition_procedure: Spin-coating
_anneal_temperature_C: 85.0
_anneal_time_min: 40.0
_anneal_atmosphere: UNKNOWN
_encapsulation: No

loop_
_site A_ion occupancy
MA 1.0
loop_
_site B_ion occupancy
Pb 1.0
loop_
_site X_ion occupancy
I 1.0

_geometry.t_goldschmidt: 0.9115
_geometry.mu_octahedral: 0.5409

_targets.band_gap_eV: 1.6
_targets.T80_hours: 750
_initial.JV_default_PCE_percent: nan


[User]
You are a materials design assistant. Produce a CIF-LITE block that encodes a halide perovskite candidate meeting the constraints.

Constraints:
- Allowed A-site ions: MA
- Allowed B-site ions: Pb
- Allowed X-site ions: I
- Preferred perovskite dimensionality: 3D
- Band gap window (eV): 1.500 - 1.700
- Minimum stability (T80, hours): 1
- Initial efficiency (JV_default_PCE, %): nan
- Soft geometry constraints: t in [0.86, 0.96], μ in [0.49, 0.59] (target t≈0.91, μ≈0.54)
- Notes: Prefer processing similar to exemplars. Use LONG composition strings.

Return only this block:

# CIF-LITE v1
data_id: <free text label>
_chemical_formula_sum: <LONG composition string>
_perovskite_dimension: <3D|2D|2D3D|UNKNOWN>
_stack_sequence: <free text or UNKNOWN>
_film_thickness_nm: <number or UNKNOWN>
_deposition_procedure: <spin|blade|evap|spray|inkjet|UNKNOWN>
_anneal_temperature_C: <number or UNKNOWN>
_anneal_time_min: <number or UNKNOWN>
_anneal_atmosphere: <air|N2|vacuum|solvent_vapor|UNKNOWN>
_encapsulation: <Yes|No|UNKNOWN>

loop_
_site A_ion occupancy
<A_LOOP_ROWS>
loop_
_site B_ion occupancy
<B_LOOP_ROWS>
loop_
_site X_ion occupancy
<X_LOOP_ROWS>

_targets.band_gap_eV: <PREDICTED_Eg>
_targets.T80_hours: <PREDICTED_T80>

[Assistant]
# CIF-LITE v1
data_id: PD_31370
_chemical_formula_sum: MAPbI3
_perovskite_dimension: 3D
_stack_sequence: SLG | FTO | TiO2-c | TiO2-mp | Perovskite | Spiro-MeOTAD | Au
_film_thickness_nm: UNKNOWN
_deposition_procedure: Spin-coating
_anneal_temperature_C: 100.0
_anneal_time_min: 10.0
_anneal_atmosphere: UNKNOWN
_encapsulation: No

loop_
_site A_ion occupancy
MA 1.0
loop_
_site B_ion occupancy
Pb 1.0
loop_
_site X_ion occupancy
I 1.0

_geometry.t_goldschmidt: 0.9115
_geometry.mu_octahedral: 0.5409

_targets.band_gap_eV: 1.6
_targets.T80_hours: 0
_initial.JV_default_PCE_percent: nan


[User]
You are a materials design assistant. Produce a CIF-LITE block that encodes a halide perovskite candidate meeting the constraints.

Constraints:
- Allowed A-site ions: MA
- Allowed B-site ions: Pb
- Allowed X-site ions: I
- Preferred perovskite dimensionality: 3D
- Band gap window (eV): 1.500 - 1.700
- Minimum stability (T80, hours): 153
- Initial efficiency (JV_default_PCE, %): 16.2
- Soft geometry constraints: t in [0.86, 0.96], μ in [0.49, 0.59] (target t≈0.91, μ≈0.54)
- Notes: Prefer processing similar to exemplars. Use LONG composition strings.

Return only this block:

# CIF-LITE v1
data_id: <free text label>
_chemical_formula_sum: <LONG composition string>
_perovskite_dimension: <3D|2D|2D3D|UNKNOWN>
_stack_sequence: <free text or UNKNOWN>
_film_thickness_nm: <number or UNKNOWN>
_deposition_procedure: <spin|blade|evap|spray|inkjet|UNKNOWN>
_anneal_temperature_C: <number or UNKNOWN>
_anneal_time_min: <number or UNKNOWN>
_anneal_atmosphere: <air|N2|vacuum|solvent_vapor|UNKNOWN>
_encapsulation: <Yes|No|UNKNOWN>

loop_
_site A_ion occupancy
<A_LOOP_ROWS>
loop_
_site B_ion occupancy
<B_LOOP_ROWS>
loop_
_site X_ion occupancy
<X_LOOP_ROWS>

_targets.band_gap_eV: <PREDICTED_Eg>
_targets.T80_hours: <PREDICTED_T80>

[Assistant]
# CIF-LITE v1
data_id: PD_16508
_chemical_formula_sum: MAPbI3
_perovskite_dimension: 3D
_stack_sequence: SLG | FTO | SnO2-c | Perovskite | Spiro-MeOTAD | Ag
_film_thickness_nm: UNKNOWN
_deposition_procedure: Spin-coating
_anneal_temperature_C: 60.0
_anneal_time_min: 90.0
_anneal_atmosphere: UNKNOWN
_encapsulation: No

loop_
_site A_ion occupancy
MA 1.0
loop_
_site B_ion occupancy
Pb 1.0
loop_
_site X_ion occupancy
I 1.0

_geometry.t_goldschmidt: 0.9115
_geometry.mu_octahedral: 0.5409

_targets.band_gap_eV: 1.6
_targets.T80_hours: 192
_initial.JV_default_PCE_percent: 16.2


[User]
You are a materials design assistant. Produce a CIF-LITE block that encodes a halide perovskite candidate meeting the constraints.

Constraints:
- Allowed A-site ions: Cs
- Allowed B-site ions: Pb
- Allowed X-site ions: Br, I
- Preferred perovskite dimensionality: 3D
- Band gap window (eV): 1.750 - 1.950
- Minimum stability (T80, hours): 1
- Initial efficiency (JV_default_PCE, %): 12.5
- Soft geometry constraints: t in [0.85, 0.90], μ in [0.51, 0.61] (target t≈0.85, μ≈0.56)
- Notes: Prefer processing similar to exemplars. Use LONG composition strings.

Return only this block:

# CIF-LITE v1
data_id: <free text label>
_chemical_formula_sum: <LONG composition string>
_perovskite_dimension: <3D|2D|2D3D|UNKNOWN>
_stack_sequence: <free text or UNKNOWN>
_film_thickness_nm: <number or UNKNOWN>
_deposition_procedure: <spin|blade|evap|spray|inkjet|UNKNOWN>
_anneal_temperature_C: <number or UNKNOWN>
_anneal_time_min: <number or UNKNOWN>
_anneal_atmosphere: <air|N2|vacuum|solvent_vapor|UNKNOWN>
_encapsulation: <Yes|No|UNKNOWN>

loop_
_site A_ion occupancy
<A_LOOP_ROWS>
loop_
_site B_ion occupancy
<B_LOOP_ROWS>
loop_
_site X_ion occupancy
<X_LOOP_ROWS>

_targets.band_gap_eV: <PREDICTED_Eg>
_targets.T80_hours: <PREDICTED_T80>

[Assistant]
# CIF-LITE v1
data_id: PD_3759
_chemical_formula_sum: CsPbBrI2
_perovskite_dimension: 3D
_stack_sequence: SLG | ITO | SnO2-np | Perovskite | IEICO; PBDTTT-E-T | MoO3 | Ag
_film_thickness_nm: 300.0
_deposition_procedure: Spin-coating
_anneal_temperature_C: 160.0
_anneal_time_min: 10.0
_anneal_atmosphere: UNKNOWN
_encapsulation: No

loop_
_site A_ion occupancy
Cs 1.0
loop_
_site B_ion occupancy
Pb 1.0
loop_
_site X_ion occupancy
I 0.6667
Br 0.3333

_geometry.t_goldschmidt: 0.8545
_geometry.mu_octahedral: 0.5613

_targets.band_gap_eV: 1.85
_targets.T80_hours: 1
_initial.JV_default_PCE_percent: 12.5


[User]
You are a materials design assistant. Produce a CIF-LITE block that encodes a halide perovskite candidate meeting the constraints.

Constraints:
- Allowed A-site ions: MA
- Allowed B-site ions: Pb
- Allowed X-site ions: I
- Preferred perovskite dimensionality: 3D
- Band gap window (eV): 1.500 - 1.700
- Minimum stability (T80, hours): 76
- Initial efficiency (JV_default_PCE, %): 6.5
- Soft geometry constraints: t in [0.86, 0.96], μ in [0.49, 0.59] (target t≈0.91, μ≈0.54)
- Notes: Prefer processing similar to exemplars. Use LONG composition strings.

Return only this block:

# CIF-LITE v1
data_id: <free text label>
_chemical_formula_sum: <LONG composition string>
_perovskite_dimension: <3D|2D|2D3D|UNKNOWN>
_stack_sequence: <free text or UNKNOWN>
_film_thickness_nm: <number or UNKNOWN>
_deposition_procedure: <spin|blade|evap|spray|inkjet|UNKNOWN>
_anneal_temperature_C: <number or UNKNOWN>
_anneal_time_min: <number or UNKNOWN>
_anneal_atmosphere: <air|N2|vacuum|solvent_vapor|UNKNOWN>
_encapsulation: <Yes|No|UNKNOWN>

loop_
_site A_ion occupancy
<A_LOOP_ROWS>
loop_
_site B_ion occupancy
<B_LOOP_ROWS>
loop_
_site X_ion occupancy
<X_LOOP_ROWS>

_targets.band_gap_eV: <PREDICTED_Eg>
_targets.T80_hours: <PREDICTED_T80>

[Assistant]
# CIF-LITE v1
data_id: PD_23614
_chemical_formula_sum: MAPbI3
_perovskite_dimension: 3D
_stack_sequence: SLG | FTO | TiO2-c | TiO2-mp | Perovskite | CAS | Au
_film_thickness_nm: UNKNOWN
_deposition_procedure: Spin-coating
_anneal_temperature_C: 110.0
_anneal_time_min: 10.0
_anneal_atmosphere: UNKNOWN
_encapsulation: No

loop_
_site A_ion occupancy
MA 1.0
loop_
_site B_ion occupancy
Pb 1.0
loop_
_site X_ion occupancy
I 1.0

_geometry.t_goldschmidt: 0.9115
_geometry.mu_octahedral: 0.5409

_targets.band_gap_eV: 1.6
_targets.T80_hours: 96
_initial.JV_default_PCE_percent: 6.5


[User]
You are a materials design assistant. Produce a CIF-LITE block that encodes a halide perovskite candidate meeting the constraints.

Constraints:
- Allowed A-site ions: MA
- Allowed B-site ions: Pb
- Allowed X-site ions: I
- Preferred perovskite dimensionality: 3D
- Band gap window (eV): 1.500 - 1.700
- Minimum stability (T80, hours): 7
- Initial efficiency (JV_default_PCE, %): 8.4
- Soft geometry constraints: t in [0.86, 0.96], μ in [0.49, 0.59] (target t≈0.91, μ≈0.54)
- Notes: Prefer processing similar to exemplars. Use LONG composition strings.

Return only this block:

# CIF-LITE v1
data_id: <free text label>
_chemical_formula_sum: <LONG composition string>
_perovskite_dimension: <3D|2D|2D3D|UNKNOWN>
_stack_sequence: <free text or UNKNOWN>
_film_thickness_nm: <number or UNKNOWN>
_deposition_procedure: <spin|blade|evap|spray|inkjet|UNKNOWN>
_anneal_temperature_C: <number or UNKNOWN>
_anneal_time_min: <number or UNKNOWN>
_anneal_atmosphere: <air|N2|vacuum|solvent_vapor|UNKNOWN>
_encapsulation: <Yes|No|UNKNOWN>

loop_
_site A_ion occupancy
<A_LOOP_ROWS>
loop_
_site B_ion occupancy
<B_LOOP_ROWS>
loop_
_site X_ion occupancy
<X_LOOP_ROWS>

_targets.band_gap_eV: <PREDICTED_Eg>
_targets.T80_hours: <PREDICTED_T80>

[Assistant]
# CIF-LITE v1
data_id: PD_32266
_chemical_formula_sum: MAPbI3
_perovskite_dimension: 3D
_stack_sequence: SLG | FTO | NiO-np | Perovskite | PCBM-60 | Ag
_film_thickness_nm: UNKNOWN
_deposition_procedure: Spin-coating
_anneal_temperature_C: 100.0
_anneal_time_min: 30.0
_anneal_atmosphere: UNKNOWN
_encapsulation: No

loop_
_site A_ion occupancy
MA 1.0
loop_
_site B_ion occupancy
Pb 1.0
loop_
_site X_ion occupancy
I 1.0

_geometry.t_goldschmidt: 0.9115
_geometry.mu_octahedral: 0.5409

_targets.band_gap_eV: 1.6
_targets.T80_hours: 8
_initial.JV_default_PCE_percent: 8.4


[User]
You are a materials design assistant. Produce a CIF-LITE block that encodes a halide perovskite candidate meeting the constraints.

Constraints:
- Allowed A-site ions: MA
- Allowed B-site ions: Pb
- Allowed X-site ions: I
- Preferred perovskite dimensionality: 3D
- Band gap window (eV): 1.500 - 1.700
- Minimum stability (T80, hours): 32
- Initial efficiency (JV_default_PCE, %): 17.5
- Soft geometry constraints: t in [0.86, 0.96], μ in [0.49, 0.59] (target t≈0.91, μ≈0.54)
- Notes: Prefer processing similar to exemplars. Use LONG composition strings.

Return only this block:

# CIF-LITE v1
data_id: <free text label>
_chemical_formula_sum: <LONG composition string>
_perovskite_dimension: <3D|2D|2D3D|UNKNOWN>
_stack_sequence: <free text or UNKNOWN>
_film_thickness_nm: <number or UNKNOWN>
_deposition_procedure: <spin|blade|evap|spray|inkjet|UNKNOWN>
_anneal_temperature_C: <number or UNKNOWN>
_anneal_time_min: <number or UNKNOWN>
_anneal_atmosphere: <air|N2|vacuum|solvent_vapor|UNKNOWN>
_encapsulation: <Yes|No|UNKNOWN>

loop_
_site A_ion occupancy
<A_LOOP_ROWS>
loop_
_site B_ion occupancy
<B_LOOP_ROWS>
loop_
_site X_ion occupancy
<X_LOOP_ROWS>

_targets.band_gap_eV: <PREDICTED_Eg>
_targets.T80_hours: <PREDICTED_T80>

[Assistant]
# CIF-LITE v1
data_id: PD_17120
_chemical_formula_sum: MAPbI3
_perovskite_dimension: 3D
_stack_sequence: SLG | ITO | SnO2-np | PCBA-60 | Perovskite | PTA | MoO3 | Ag
_film_thickness_nm: UNKNOWN
_deposition_procedure: Spin-coating
_anneal_temperature_C: 100.0
_anneal_time_min: 10.0
_anneal_atmosphere: UNKNOWN
_encapsulation: No

loop_
_site A_ion occupancy
MA 1.0
loop_
_site B_ion occupancy
Pb 1.0
loop_
_site X_ion occupancy
I 1.0

_geometry.t_goldschmidt: 0.9115
_geometry.mu_octahedral: 0.5409

_targets.band_gap_eV: 1.6
_targets.T80_hours: 40
_initial.JV_default_PCE_percent: 17.5


[User]
You are a materials design assistant. Produce a CIF-LITE block that encodes a halide perovskite candidate meeting the constraints.

Constraints:
- Allowed A-site ions: MA
- Allowed B-site ions: Pb
- Allowed X-site ions: I
- Preferred perovskite dimensionality: 3D
- Band gap window (eV): 1.500 - 1.700
- Minimum stability (T80, hours): 64
- Initial efficiency (JV_default_PCE, %): 15.1
- Soft geometry constraints: t in [0.86, 0.96], μ in [0.49, 0.59] (target t≈0.91, μ≈0.54)
- Notes: Prefer processing similar to exemplars. Use LONG composition strings.

Return only this block:

# CIF-LITE v1
data_id: <free text label>
_chemical_formula_sum: <LONG composition string>
_perovskite_dimension: <3D|2D|2D3D|UNKNOWN>
_stack_sequence: <free text or UNKNOWN>
_film_thickness_nm: <number or UNKNOWN>
_deposition_procedure: <spin|blade|evap|spray|inkjet|UNKNOWN>
_anneal_temperature_C: <number or UNKNOWN>
_anneal_time_min: <number or UNKNOWN>
_anneal_atmosphere: <air|N2|vacuum|solvent_vapor|UNKNOWN>
_encapsulation: <Yes|No|UNKNOWN>

loop_
_site A_ion occupancy
<A_LOOP_ROWS>
loop_
_site B_ion occupancy
<B_LOOP_ROWS>
loop_
_site X_ion occupancy
<X_LOOP_ROWS>

_targets.band_gap_eV: <PREDICTED_Eg>
_targets.T80_hours: <PREDICTED_T80>

[Assistant]
# CIF-LITE v1
data_id: PD_9812
_chemical_formula_sum: MAPbI3
_perovskite_dimension: 3D
_stack_sequence: SLG | FTO | TiO2-c | TiO2-mp | Perovskite | H-2,5 | Au
_film_thickness_nm: UNKNOWN
_deposition_procedure: Spin-coating
_anneal_temperature_C: 70.0
_anneal_time_min: 30.0
_anneal_atmosphere: UNKNOWN
_encapsulation: No

loop_
_site A_ion occupancy
MA 1.0
loop_
_site B_ion occupancy
Pb 1.0
loop_
_site X_ion occupancy
I 1.0

_geometry.t_goldschmidt: 0.9115
_geometry.mu_octahedral: 0.5409

_targets.band_gap_eV: 1.6
_targets.T80_hours: 80
_initial.JV_default_PCE_percent: 15.1


[User]
You are a materials design assistant. Produce a CIF-LITE block that encodes a halide perovskite candidate meeting the constraints.

Constraints:
- Allowed A-site ions: MA
- Allowed B-site ions: Pb
- Allowed X-site ions: I
- Preferred perovskite dimensionality: 3D
- Band gap window (eV): 1.490 - 1.690
- Minimum stability (T80, hours): 300
- Initial efficiency (JV_default_PCE, %): 17.5
- Soft geometry constraints: t in [0.86, 0.96], μ in [0.49, 0.59] (target t≈0.91, μ≈0.54)
- Notes: Prefer processing similar to exemplars. Use LONG composition strings.

Return only this block:

# CIF-LITE v1
data_id: <free text label>
_chemical_formula_sum: <LONG composition string>
_perovskite_dimension: <3D|2D|2D3D|UNKNOWN>
_stack_sequence: <free text or UNKNOWN>
_film_thickness_nm: <number or UNKNOWN>
_deposition_procedure: <spin|blade|evap|spray|inkjet|UNKNOWN>
_anneal_temperature_C: <number or UNKNOWN>
_anneal_time_min: <number or UNKNOWN>
_anneal_atmosphere: <air|N2|vacuum|solvent_vapor|UNKNOWN>
_encapsulation: <Yes|No|UNKNOWN>

loop_
_site A_ion occupancy
<A_LOOP_ROWS>
loop_
_site B_ion occupancy
<B_LOOP_ROWS>
loop_
_site X_ion occupancy
<X_LOOP_ROWS>

_targets.band_gap_eV: <PREDICTED_Eg>
_targets.T80_hours: <PREDICTED_T80>

[Assistant]
# CIF-LITE v1
data_id: PD_40435
_chemical_formula_sum: MAPbI3
_perovskite_dimension: 3D
_stack_sequence: SLG | FTO | TiO2-c | TiO2-mp | Perovskite | Spiro-MeOTAD | Au
_film_thickness_nm: 515.0
_deposition_procedure: Spin-coating
_anneal_temperature_C: 110.0
_anneal_time_min: 30.0
_anneal_atmosphere: ar
_encapsulation: No

loop_
_site A_ion occupancy
MA 1.0
loop_
_site B_ion occupancy
Pb 1.0
loop_
_site X_ion occupancy
I 1.0

_geometry.t_goldschmidt: 0.9115
_geometry.mu_octahedral: 0.5409

_targets.band_gap_eV: 1.59
_targets.T80_hours: 375
_initial.JV_default_PCE_percent: 17.5


[User]
You are a materials design assistant. Produce a CIF-LITE block that encodes a halide perovskite candidate meeting the constraints.

Constraints:
- Allowed A-site ions: Cs, FA, MA
- Allowed B-site ions: Pb, Sn
- Allowed X-site ions: Br, I
- Preferred perovskite dimensionality: 3D
- Band gap window (eV): 1.260 - 1.460
- Minimum stability (T80, hours): 57
- Initial efficiency (JV_default_PCE, %): 15.8
- Soft geometry constraints: t in [0.92, 1.02], μ in [0.50, 0.60] (target t≈0.97, μ≈0.55)
- Notes: Prefer processing similar to exemplars. Use LONG composition strings.

Return only this block:

# CIF-LITE v1
data_id: <free text label>
_chemical_formula_sum: <LONG composition string>
_perovskite_dimension: <3D|2D|2D3D|UNKNOWN>
_stack_sequence: <free text or UNKNOWN>
_film_thickness_nm: <number or UNKNOWN>
_deposition_procedure: <spin|blade|evap|spray|inkjet|UNKNOWN>
_anneal_temperature_C: <number or UNKNOWN>
_anneal_time_min: <number or UNKNOWN>
_anneal_atmosphere: <air|N2|vacuum|solvent_vapor|UNKNOWN>
_encapsulation: <Yes|No|UNKNOWN>

loop_
_site A_ion occupancy
<A_LOOP_ROWS>
loop_
_site B_ion occupancy
<B_LOOP_ROWS>
loop_
_site X_ion occupancy
<X_LOOP_ROWS>

_targets.band_gap_eV: <PREDICTED_Eg>
_targets.T80_hours: <PREDICTED_T80>

[Assistant]
# CIF-LITE v1
data_id: PD_2208
_chemical_formula_sum: Cs0.1FA0.75MA0.15Pb0.75Sn0.25Br0.5I2.5
_perovskite_dimension: 3D
_stack_sequence: SLG | ITO | PEDOT:PSS | Perovskite | PCBM-60 | C60 | BCP | Ag
_film_thickness_nm: 450.0
_deposition_procedure: Spin-coating
_anneal_temperature_C: 100.0
_anneal_time_min: 10.0
_anneal_atmosphere: UNKNOWN
_encapsulation: No

loop_
_site A_ion occupancy
FA 0.75
MA 0.15
Cs 0.1
loop_
_site B_ion occupancy
Pb 0.75
Sn 0.25
loop_
_site X_ion occupancy
I 0.8333
Br 0.1667

_geometry.t_goldschmidt: 0.9656
_geometry.mu_octahedral: 0.5498

_targets.band_gap_eV: 1.36
_targets.T80_hours: 72
_initial.JV_default_PCE_percent: 15.8


[User]
You are a materials design assistant. Produce a CIF-LITE block that encodes a halide perovskite candidate meeting the constraints.

Constraints:
- Allowed A-site ions: MA
- Allowed B-site ions: Pb
- Allowed X-site ions: I
- Preferred perovskite dimensionality: 3D
- Band gap window (eV): 1.500 - 1.700
- Minimum stability (T80, hours): 108
- Initial efficiency (JV_default_PCE, %): 9.7
- Soft geometry constraints: t in [0.86, 0.96], μ in [0.49, 0.59] (target t≈0.91, μ≈0.54)
- Notes: Prefer processing similar to exemplars. Use LONG composition strings.

Return only this block:

# CIF-LITE v1
data_id: <free text label>
_chemical_formula_sum: <LONG composition string>
_perovskite_dimension: <3D|2D|2D3D|UNKNOWN>
_stack_sequence: <free text or UNKNOWN>
_film_thickness_nm: <number or UNKNOWN>
_deposition_procedure: <spin|blade|evap|spray|inkjet|UNKNOWN>
_anneal_temperature_C: <number or UNKNOWN>
_anneal_time_min: <number or UNKNOWN>
_anneal_atmosphere: <air|N2|vacuum|solvent_vapor|UNKNOWN>
_encapsulation: <Yes|No|UNKNOWN>

loop_
_site A_ion occupancy
<A_LOOP_ROWS>
loop_
_site B_ion occupancy
<B_LOOP_ROWS>
loop_
_site X_ion occupancy
<X_LOOP_ROWS>

_targets.band_gap_eV: <PREDICTED_Eg>
_targets.T80_hours: <PREDICTED_T80>

[Assistant]
# CIF-LITE v1
data_id: PD_37841
_chemical_formula_sum: MAPbI3
_perovskite_dimension: 3D
_stack_sequence: SLG | ITO | PEDOT:PSS | Perovskite | PCBM-60 | bis-C70 | Al
_film_thickness_nm: UNKNOWN
_deposition_procedure: Spin-coating
_anneal_temperature_C: -173.14999999999998
_anneal_time_min: UNKNOWN
_anneal_atmosphere: UNKNOWN
_encapsulation: No

loop_
_site A_ion occupancy
MA 1.0
loop_
_site B_ion occupancy
Pb 1.0
loop_
_site X_ion occupancy
I 1.0

_geometry.t_goldschmidt: 0.9115
_geometry.mu_octahedral: 0.5409

_targets.band_gap_eV: 1.6
_targets.T80_hours: 135
_initial.JV_default_PCE_percent: 9.7


[User]
You are a materials design assistant. Produce a CIF-LITE block that encodes a halide perovskite candidate meeting the constraints.

Constraints:
- Allowed A-site ions: FA
- Allowed B-site ions: Sn
- Allowed X-site ions: I
- Preferred perovskite dimensionality: 3D
- Band gap window (eV): 1.290 - 1.490
- Minimum stability (T80, hours): 80
- Initial efficiency (JV_default_PCE, %): 7.3
- Soft geometry constraints: t in [0.94, 1.04], μ in [0.49, 0.59] (target t≈0.99, μ≈0.54)
- Notes: Prefer processing similar to exemplars. Use LONG composition strings.

Return only this block:

# CIF-LITE v1
data_id: <free text label>
_chemical_formula_sum: <LONG composition string>
_perovskite_dimension: <3D|2D|2D3D|UNKNOWN>
_stack_sequence: <free text or UNKNOWN>
_film_thickness_nm: <number or UNKNOWN>
_deposition_procedure: <spin|blade|evap|spray|inkjet|UNKNOWN>
_anneal_temperature_C: <number or UNKNOWN>
_anneal_time_min: <number or UNKNOWN>
_anneal_atmosphere: <air|N2|vacuum|solvent_vapor|UNKNOWN>
_encapsulation: <Yes|No|UNKNOWN>

loop_
_site A_ion occupancy
<A_LOOP_ROWS>
loop_
_site B_ion occupancy
<B_LOOP_ROWS>
loop_
_site X_ion occupancy
<X_LOOP_ROWS>

_targets.band_gap_eV: <PREDICTED_Eg>
_targets.T80_hours: <PREDICTED_T80>

[Assistant]
# CIF-LITE v1
data_id: PD_26059
_chemical_formula_sum: FASnI3
_perovskite_dimension: 3D
_stack_sequence: SLG | ITO | CuSCN | Perovskite | PCBM-60 | Ag
_film_thickness_nm: UNKNOWN
_deposition_procedure: Spin-coating
_anneal_temperature_C: 70.0
_anneal_time_min: 10.0
_anneal_atmosphere: UNKNOWN
_encapsulation: No

loop_
_site A_ion occupancy
FA 1.0
loop_
_site B_ion occupancy
Sn 1.0
loop_
_site X_ion occupancy
I 1.0

_geometry.t_goldschmidt: 0.9895
_geometry.mu_octahedral: 0.5364

_targets.band_gap_eV: 1.39
_targets.T80_hours: 100
_initial.JV_default_PCE_percent: 7.3


[User]
You are a materials design assistant. Produce a CIF-LITE block that encodes a halide perovskite candidate meeting the constraints.

Constraints:
- Allowed A-site ions: MA
- Allowed B-site ions: Pb
- Allowed X-site ions: I
- Preferred perovskite dimensionality: 3D
- Band gap window (eV): 1.420 - 1.620
- Minimum stability (T80, hours): 1920
- Initial efficiency (JV_default_PCE, %): 16.5
- Soft geometry constraints: t in [0.86, 0.96], μ in [0.49, 0.59] (target t≈0.91, μ≈0.54)
- Notes: Prefer processing similar to exemplars. Use LONG composition strings.

Return only this block:

# CIF-LITE v1
data_id: <free text label>
_chemical_formula_sum: <LONG composition string>
_perovskite_dimension: <3D|2D|2D3D|UNKNOWN>
_stack_sequence: <free text or UNKNOWN>
_film_thickness_nm: <number or UNKNOWN>
_deposition_procedure: <spin|blade|evap|spray|inkjet|UNKNOWN>
_anneal_temperature_C: <number or UNKNOWN>
_anneal_time_min: <number or UNKNOWN>
_anneal_atmosphere: <air|N2|vacuum|solvent_vapor|UNKNOWN>
_encapsulation: <Yes|No|UNKNOWN>

loop_
_site A_ion occupancy
<A_LOOP_ROWS>
loop_
_site B_ion occupancy
<B_LOOP_ROWS>
loop_
_site X_ion occupancy
<X_LOOP_ROWS>

_targets.band_gap_eV: <PREDICTED_Eg>
_targets.T80_hours: <PREDICTED_T80>

[Assistant]
# CIF-LITE v1
data_id: PD_13426
_chemical_formula_sum: MAPbI3
_perovskite_dimension: 3D
_stack_sequence: SLG | FTO | TiO2-c | TiO2-mp | Al2O3-mp | Perovskite | Spiro-MeOTAD | Au
_film_thickness_nm: 500.0
_deposition_procedure: Spin-coating
_anneal_temperature_C: 130.0
_anneal_time_min: 60.0
_anneal_atmosphere: UNKNOWN
_encapsulation: No

loop_
_site A_ion occupancy
MA 1.0
loop_
_site B_ion occupancy
Pb 1.0
loop_
_site X_ion occupancy
I 1.0

_geometry.t_goldschmidt: 0.9115
_geometry.mu_octahedral: 0.5409

_targets.band_gap_eV: 1.52
_targets.T80_hours: 2400
_initial.JV_default_PCE_percent: 16.5


[User]
You are a materials design assistant. Produce a CIF-LITE block that encodes a halide perovskite candidate meeting the constraints.

Constraints:
- Allowed A-site ions: MA
- Allowed B-site ions: Pb
- Allowed X-site ions: I
- Preferred perovskite dimensionality: 3D
- Band gap window (eV): 1.400 - 1.600
- Minimum stability (T80, hours): 1
- Initial efficiency (JV_default_PCE, %): 7.2
- Soft geometry constraints: t in [0.86, 0.96], μ in [0.49, 0.59] (target t≈0.91, μ≈0.54)
- Notes: Prefer processing similar to exemplars. Use LONG composition strings.

Return only this block:

# CIF-LITE v1
data_id: <free text label>
_chemical_formula_sum: <LONG composition string>
_perovskite_dimension: <3D|2D|2D3D|UNKNOWN>
_stack_sequence: <free text or UNKNOWN>
_film_thickness_nm: <number or UNKNOWN>
_deposition_procedure: <spin|blade|evap|spray|inkjet|UNKNOWN>
_anneal_temperature_C: <number or UNKNOWN>
_anneal_time_min: <number or UNKNOWN>
_anneal_atmosphere: <air|N2|vacuum|solvent_vapor|UNKNOWN>
_encapsulation: <Yes|No|UNKNOWN>

loop_
_site A_ion occupancy
<A_LOOP_ROWS>
loop_
_site B_ion occupancy
<B_LOOP_ROWS>
loop_
_site X_ion occupancy
<X_LOOP_ROWS>

_targets.band_gap_eV: <PREDICTED_Eg>
_targets.T80_hours: <PREDICTED_T80>

[Assistant]
# CIF-LITE v1
data_id: PD_32993
_chemical_formula_sum: MAPbI3
_perovskite_dimension: 3D
_stack_sequence: SLG | ITO | PEDOT:PSS | Perovskite | PCBM-60 | Al
_film_thickness_nm: UNKNOWN
_deposition_procedure: Spin-coating
_anneal_temperature_C: 80.0
_anneal_time_min: 15.0
_anneal_atmosphere: UNKNOWN
_encapsulation: No

loop_
_site A_ion occupancy
MA 1.0
loop_
_site B_ion occupancy
Pb 1.0
loop_
_site X_ion occupancy
I 1.0

_geometry.t_goldschmidt: 0.9115
_geometry.mu_octahedral: 0.5409

_targets.band_gap_eV: 1.5
_targets.T80_hours: 0
_initial.JV_default_PCE_percent: 7.2


[User]
You are a materials design assistant. Produce a CIF-LITE block that encodes a halide perovskite candidate meeting the constraints.

Constraints:
- Allowed A-site ions: Cs
- Allowed B-site ions: Pb
- Allowed X-site ions: Br, F, I
- Preferred perovskite dimensionality: 3D
- Band gap window (eV): 1.750 - 1.950
- Minimum stability (T80, hours): 160
- Initial efficiency (JV_default_PCE, %): 10.3
- Soft geometry constraints: t in [0.85, 0.93], μ in [0.69, 0.79] (target t≈0.88, μ≈0.74)
- Notes: Prefer processing similar to exemplars. Use LONG composition strings.

Return only this block:

# CIF-LITE v1
data_id: <free text label>
_chemical_formula_sum: <LONG composition string>
_perovskite_dimension: <3D|2D|2D3D|UNKNOWN>
_stack_sequence: <free text or UNKNOWN>
_film_thickness_nm: <number or UNKNOWN>
_deposition_procedure: <spin|blade|evap|spray|inkjet|UNKNOWN>
_anneal_temperature_C: <number or UNKNOWN>
_anneal_time_min: <number or UNKNOWN>
_anneal_atmosphere: <air|N2|vacuum|solvent_vapor|UNKNOWN>
_encapsulation: <Yes|No|UNKNOWN>

loop_
_site A_ion occupancy
<A_LOOP_ROWS>
loop_
_site B_ion occupancy
<B_LOOP_ROWS>
loop_
_site X_ion occupancy
<X_LOOP_ROWS>

_targets.band_gap_eV: <PREDICTED_Eg>
_targets.T80_hours: <PREDICTED_T80>

[Assistant]
# CIF-LITE v1
data_id: PD_38681
_chemical_formula_sum: CsPbBrF1.78I0.22
_perovskite_dimension: 3D
_stack_sequence: SLG | FTO | TiO2-c | TiO2-mp | Perovskite | Spiro-MeOTAD | Ag
_film_thickness_nm: 500.0
_deposition_procedure: Spin-coating
_anneal_temperature_C: 150.0
_anneal_time_min: 20.0
_anneal_atmosphere: N2
_encapsulation: No

loop_
_site A_ion occupancy
Cs 1.0
loop_
_site B_ion occupancy
Pb 1.0
loop_
_site X_ion occupancy
F 0.5933
Br 0.3333
I 0.0733

_geometry.t_goldschmidt: 0.8817
_geometry.mu_octahedral: 0.7420

_targets.band_gap_eV: 1.85
_targets.T80_hours: 200
_initial.JV_default_PCE_percent: 10.3


[User]
You are a materials design assistant. Produce a CIF-LITE block that encodes a halide perovskite candidate meeting the constraints.

Constraints:
- Allowed A-site ions: MA, PEA
- Allowed B-site ions: Pb
- Allowed X-site ions: I
- Preferred perovskite dimensionality: 2D
- Band gap window (eV): 1.620 - 1.820
- Minimum stability (T80, hours): 165
- Initial efficiency (JV_default_PCE, %): 9.2
- Soft geometry constraints: t in [0.86, 0.96], μ in [0.49, 0.59] (target t≈0.91, μ≈0.54)
- Notes: Prefer processing similar to exemplars. Use LONG composition strings.

Return only this block:

# CIF-LITE v1
data_id: <free text label>
_chemical_formula_sum: <LONG composition string>
_perovskite_dimension: <3D|2D|2D3D|UNKNOWN>
_stack_sequence: <free text or UNKNOWN>
_film_thickness_nm: <number or UNKNOWN>
_deposition_procedure: <spin|blade|evap|spray|inkjet|UNKNOWN>
_anneal_temperature_C: <number or UNKNOWN>
_anneal_time_min: <number or UNKNOWN>
_anneal_atmosphere: <air|N2|vacuum|solvent_vapor|UNKNOWN>
_encapsulation: <Yes|No|UNKNOWN>

loop_
_site A_ion occupancy
<A_LOOP_ROWS>
loop_
_site B_ion occupancy
<B_LOOP_ROWS>
loop_
_site X_ion occupancy
<X_LOOP_ROWS>

_targets.band_gap_eV: <PREDICTED_Eg>
_targets.T80_hours: <PREDICTED_T80>

[Assistant]
# CIF-LITE v1
data_id: PD_20572
_chemical_formula_sum: (PEA)2MA3Pb4I13
_perovskite_dimension: 2D
_stack_sequence: SLG | ITO | PEDOT:PSS | Perovskite | PCBM-60 | Bphen | Al
_film_thickness_nm: UNKNOWN
_deposition_procedure: Spin-coating
_anneal_temperature_C: UNKNOWN
_anneal_time_min: UNKNOWN
_anneal_atmosphere: UNKNOWN
_encapsulation: No

loop_
_site A_ion occupancy
MA 0.6
PEA 0.4
loop_
_site B_ion occupancy
Pb 1.0
loop_
_site X_ion occupancy
I 1.0

_geometry.t_goldschmidt: 0.9115
_geometry.mu_octahedral: 0.5409

_targets.band_gap_eV: 1.72
_targets.T80_hours: 207
_initial.JV_default_PCE_percent: 9.2


[User]
You are a materials design assistant. Produce a CIF-LITE block that encodes a halide perovskite candidate meeting the constraints.

Constraints:
- Allowed A-site ions: MA
- Allowed B-site ions: Pb
- Allowed X-site ions: I
- Preferred perovskite dimensionality: 3D
- Band gap window (eV): 1.500 - 1.700
- Minimum stability (T80, hours): 240
- Initial efficiency (JV_default_PCE, %): 16.9
- Soft geometry constraints: t in [0.86, 0.96], μ in [0.49, 0.59] (target t≈0.91, μ≈0.54)
- Notes: Prefer processing similar to exemplars. Use LONG composition strings.

Return only this block:

# CIF-LITE v1
data_id: <free text label>
_chemical_formula_sum: <LONG composition string>
_perovskite_dimension: <3D|2D|2D3D|UNKNOWN>
_stack_sequence: <free text or UNKNOWN>
_film_thickness_nm: <number or UNKNOWN>
_deposition_procedure: <spin|blade|evap|spray|inkjet|UNKNOWN>
_anneal_temperature_C: <number or UNKNOWN>
_anneal_time_min: <number or UNKNOWN>
_anneal_atmosphere: <air|N2|vacuum|solvent_vapor|UNKNOWN>
_encapsulation: <Yes|No|UNKNOWN>

loop_
_site A_ion occupancy
<A_LOOP_ROWS>
loop_
_site B_ion occupancy
<B_LOOP_ROWS>
loop_
_site X_ion occupancy
<X_LOOP_ROWS>

_targets.band_gap_eV: <PREDICTED_Eg>
_targets.T80_hours: <PREDICTED_T80>

[Assistant]
# CIF-LITE v1
data_id: PD_24790
_chemical_formula_sum: MAPbI3
_perovskite_dimension: 3D
_stack_sequence: SLG | AZO | SnO2-np | Perovskite | Spiro-MeOTAD | Au
_film_thickness_nm: UNKNOWN
_deposition_procedure: Spin-coating
_anneal_temperature_C: 70.0
_anneal_time_min: UNKNOWN
_anneal_atmosphere: UNKNOWN
_encapsulation: No

loop_
_site A_ion occupancy
MA 1.0
loop_
_site B_ion occupancy
Pb 1.0
loop_
_site X_ion occupancy
I 1.0

_geometry.t_goldschmidt: 0.9115
_geometry.mu_octahedral: 0.5409

_targets.band_gap_eV: 1.6
_targets.T80_hours: 300
_initial.JV_default_PCE_percent: 16.9


[User]
You are a materials design assistant. Produce a CIF-LITE block that encodes a halide perovskite candidate meeting the constraints.

Constraints:
- Allowed A-site ions: MA, PEA
- Allowed B-site ions: Pb
- Allowed X-site ions: I
- Preferred perovskite dimensionality: 2D
- Band gap window (eV): 1.500 - 1.700
- Minimum stability (T80, hours): 1171
- Initial efficiency (JV_default_PCE, %): 9.3
- Soft geometry constraints: t in [0.86, 0.96], μ in [0.49, 0.59] (target t≈0.91, μ≈0.54)
- Notes: Prefer processing similar to exemplars. Use LONG composition strings.

Return only this block:

# CIF-LITE v1
data_id: <free text label>
_chemical_formula_sum: <LONG composition string>
_perovskite_dimension: <3D|2D|2D3D|UNKNOWN>
_stack_sequence: <free text or UNKNOWN>
_film_thickness_nm: <number or UNKNOWN>
_deposition_procedure: <spin|blade|evap|spray|inkjet|UNKNOWN>
_anneal_temperature_C: <number or UNKNOWN>
_anneal_time_min: <number or UNKNOWN>
_anneal_atmosphere: <air|N2|vacuum|solvent_vapor|UNKNOWN>
_encapsulation: <Yes|No|UNKNOWN>

loop_
_site A_ion occupancy
<A_LOOP_ROWS>
loop_
_site B_ion occupancy
<B_LOOP_ROWS>
loop_
_site X_ion occupancy
<X_LOOP_ROWS>

_targets.band_gap_eV: <PREDICTED_Eg>
_targets.T80_hours: <PREDICTED_T80>

[Assistant]
# CIF-LITE v1
data_id: PD_22545
_chemical_formula_sum: (PEA)2MA5Pb6I19
_perovskite_dimension: 2D
_stack_sequence: SLG | ITO | PEDOT:PSS | Perovskite | PCBM-60 | LiF | Al
_film_thickness_nm: 300.0
_deposition_procedure: Spin-coating
_anneal_temperature_C: 60.0
_anneal_time_min: UNKNOWN
_anneal_atmosphere: UNKNOWN
_encapsulation: No

loop_
_site A_ion occupancy
MA 0.7143
PEA 0.2857
loop_
_site B_ion occupancy
Pb 1.0
loop_
_site X_ion occupancy
I 1.0

_geometry.t_goldschmidt: 0.9115
_geometry.mu_octahedral: 0.5409

_targets.band_gap_eV: 1.6
_targets.T80_hours: 1464
_initial.JV_default_PCE_percent: 9.3


[User]
You are a materials design assistant. Produce a CIF-LITE block that encodes a halide perovskite candidate meeting the constraints.

Constraints:
- Allowed A-site ions: MA
- Allowed B-site ions: Pb
- Allowed X-site ions: Br
- Preferred perovskite dimensionality: 3D
- Band gap window (eV): 2.200 - 2.400
- Minimum stability (T80, hours): 194
- Initial efficiency (JV_default_PCE, %): 5.9
- Soft geometry constraints: t in [0.88, 0.98], μ in [0.56, 0.66] (target t≈0.93, μ≈0.61)
- Notes: Prefer processing similar to exemplars. Use LONG composition strings.

Return only this block:

# CIF-LITE v1
data_id: <free text label>
_chemical_formula_sum: <LONG composition string>
_perovskite_dimension: <3D|2D|2D3D|UNKNOWN>
_stack_sequence: <free text or UNKNOWN>
_film_thickness_nm: <number or UNKNOWN>
_deposition_procedure: <spin|blade|evap|spray|inkjet|UNKNOWN>
_anneal_temperature_C: <number or UNKNOWN>
_anneal_time_min: <number or UNKNOWN>
_anneal_atmosphere: <air|N2|vacuum|solvent_vapor|UNKNOWN>
_encapsulation: <Yes|No|UNKNOWN>

loop_
_site A_ion occupancy
<A_LOOP_ROWS>
loop_
_site B_ion occupancy
<B_LOOP_ROWS>
loop_
_site X_ion occupancy
<X_LOOP_ROWS>

_targets.band_gap_eV: <PREDICTED_Eg>
_targets.T80_hours: <PREDICTED_T80>

[Assistant]
# CIF-LITE v1
data_id: PD_36954
_chemical_formula_sum: MAPbBr3
_perovskite_dimension: 3D
_stack_sequence: SLG | FTO | BenMeIM-Cl | C60 | Perovskite | Spiro-MeOTAD | Au
_film_thickness_nm: 300.0
_deposition_procedure: Spin-coating
_anneal_temperature_C: 100.0
_anneal_time_min: 10.0
_anneal_atmosphere: UNKNOWN
_encapsulation: No

loop_
_site A_ion occupancy
MA 1.0
loop_
_site B_ion occupancy
Pb 1.0
loop_
_site X_ion occupancy
Br 1.0

_geometry.t_goldschmidt: 0.9271
_geometry.mu_octahedral: 0.6071

_targets.band_gap_eV: 2.3
_targets.T80_hours: 243
_initial.JV_default_PCE_percent: 5.9


[User]
You are a materials design assistant. Produce a CIF-LITE block that encodes a halide perovskite candidate meeting the constraints.

Constraints:
- Allowed A-site ions: Cs, FA, MA
- Allowed B-site ions: Pb
- Allowed X-site ions: Br, I
- Preferred perovskite dimensionality: 3D
- Band gap window (eV): 1.530 - 1.730
- Minimum stability (T80, hours): 24
- Initial efficiency (JV_default_PCE, %): nan
- Soft geometry constraints: t in [0.92, 1.02], μ in [0.50, 0.60] (target t≈0.97, μ≈0.55)
- Notes: Prefer processing similar to exemplars. Use LONG composition strings.

Return only this block:

# CIF-LITE v1
data_id: <free text label>
_chemical_formula_sum: <LONG composition string>
_perovskite_dimension: <3D|2D|2D3D|UNKNOWN>
_stack_sequence: <free text or UNKNOWN>
_film_thickness_nm: <number or UNKNOWN>
_deposition_procedure: <spin|blade|evap|spray|inkjet|UNKNOWN>
_anneal_temperature_C: <number or UNKNOWN>
_anneal_time_min: <number or UNKNOWN>
_anneal_atmosphere: <air|N2|vacuum|solvent_vapor|UNKNOWN>
_encapsulation: <Yes|No|UNKNOWN>

loop_
_site A_ion occupancy
<A_LOOP_ROWS>
loop_
_site B_ion occupancy
<B_LOOP_ROWS>
loop_
_site X_ion occupancy
<X_LOOP_ROWS>

_targets.band_gap_eV: <PREDICTED_Eg>
_targets.T80_hours: <PREDICTED_T80>

[Assistant]
# CIF-LITE v1
data_id: PD_8502
_chemical_formula_sum: Cs0.05FA0.81MA0.14PbBr0.45I2.55
_perovskite_dimension: 3D
_stack_sequence: SLG | FTO | TiO2-c | SnO2-c | Perovskite | Spiro-MeOTAD | Au
_film_thickness_nm: UNKNOWN
_deposition_procedure: Spin-coating
_anneal_temperature_C: 100.0
_anneal_time_min: 80.0
_anneal_atmosphere: UNKNOWN
_encapsulation: No

loop_
_site A_ion occupancy
FA 0.81
MA 0.14
Cs 0.05
loop_
_site B_ion occupancy
Pb 1.0
loop_
_site X_ion occupancy
I 0.85
Br 0.15

_geometry.t_goldschmidt: 0.9721
_geometry.mu_octahedral: 0.5499

_targets.band_gap_eV: 1.63
_targets.T80_hours: 30
_initial.JV_default_PCE_percent: nan


[User]
You are a materials design assistant. Produce a CIF-LITE block that encodes a halide perovskite candidate meeting the constraints.

Constraints:
- Allowed A-site ions: MA
- Allowed B-site ions: Pb
- Allowed X-site ions: I
- Preferred perovskite dimensionality: 3D
- Band gap window (eV): 1.500 - 1.700
- Minimum stability (T80, hours): 5
- Initial efficiency (JV_default_PCE, %): 15.1
- Soft geometry constraints: t in [0.86, 0.96], μ in [0.49, 0.59] (target t≈0.91, μ≈0.54)
- Notes: Prefer processing similar to exemplars. Use LONG composition strings.

Return only this block:

# CIF-LITE v1
data_id: <free text label>
_chemical_formula_sum: <LONG composition string>
_perovskite_dimension: <3D|2D|2D3D|UNKNOWN>
_stack_sequence: <free text or UNKNOWN>
_film_thickness_nm: <number or UNKNOWN>
_deposition_procedure: <spin|blade|evap|spray|inkjet|UNKNOWN>
_anneal_temperature_C: <number or UNKNOWN>
_anneal_time_min: <number or UNKNOWN>
_anneal_atmosphere: <air|N2|vacuum|solvent_vapor|UNKNOWN>
_encapsulation: <Yes|No|UNKNOWN>

loop_
_site A_ion occupancy
<A_LOOP_ROWS>
loop_
_site B_ion occupancy
<B_LOOP_ROWS>
loop_
_site X_ion occupancy
<X_LOOP_ROWS>

_targets.band_gap_eV: <PREDICTED_Eg>
_targets.T80_hours: <PREDICTED_T80>

[Assistant]
# CIF-LITE v1
data_id: PD_21688
_chemical_formula_sum: MAPbI3
_perovskite_dimension: 3D
_stack_sequence: Eu-complex LDL | SLG | FTO | TiO2-c | TiO2-mp | Perovskite | Spiro-MeOTAD | Au
_film_thickness_nm: 170.0
_deposition_procedure: Spin-coating
_anneal_temperature_C: 105.0
_anneal_time_min: 60.0
_anneal_atmosphere: UNKNOWN
_encapsulation: No

loop_
_site A_ion occupancy
MA 1.0
loop_
_site B_ion occupancy
Pb 1.0
loop_
_site X_ion occupancy
I 1.0

_geometry.t_goldschmidt: 0.9115
_geometry.mu_octahedral: 0.5409

_targets.band_gap_eV: 1.6
_targets.T80_hours: 7
_initial.JV_default_PCE_percent: 15.1