[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): 2080
- 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_12957
_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: 2600
_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): 400
- 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_34634
_chemical_formula_sum: MAPbI3
_perovskite_dimension: 3D
_stack_sequence: SLG | ITO | PEDOT:PSS | Perovskite | C60 | BCP | Ag
_film_thickness_nm: UNKNOWN
_deposition_procedure: Spin-coating
_anneal_temperature_C: 90.0
_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: 500
_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: 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): 160
- Initial efficiency (JV_default_PCE, %): 14.6
- 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_17087
_chemical_formula_sum: FAPbI3
_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: 160.0
_anneal_time_min: 20.0
_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: 200
_initial.JV_default_PCE_percent: 14.6


[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: Cs
- Allowed B-site ions: Ba, Pb
- Allowed X-site ions: Br, I
- Preferred perovskite dimensionality: 3D
- Band gap window (eV): 1.765 - 1.965
- Minimum stability (T80, hours): 360
- Initial efficiency (JV_default_PCE, %): 14.0
- 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_9311
_chemical_formula_sum: CsBa0.2Pb0.8BrI2
_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: 25.0
_anneal_time_min: UNKNOWN
_anneal_atmosphere: UNKNOWN
_encapsulation: No

loop_
_site A_ion occupancy
Cs 1.0
loop_
_site B_ion occupancy
Pb 0.8
Ba 0.2
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: 1.865
_targets.T80_hours: 450
_initial.JV_default_PCE_percent: 14.0


[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): 80
- Initial efficiency (JV_default_PCE, %): 15.0
- 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_7466
_chemical_formula_sum: MAPbI3
_perovskite_dimension: 3D
_stack_sequence: SLG | ITO | NiO-c | Perovskite | PCBM-60 | Rhodamine 101 | Au | Al
_film_thickness_nm: 430.0
_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: 100
_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): 3
- Initial efficiency (JV_default_PCE, %): 11.9
- 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_32185
_chemical_formula_sum: MAPbI3
_perovskite_dimension: 3D
_stack_sequence: SLG | ITO | PEDOT:PSS | Perovskite | C60 | 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: 1.6
_targets.T80_hours: 4
_initial.JV_default_PCE_percent: 11.9


[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): 1.400 - 1.600
- Minimum stability (T80, hours): 160
- 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_2339
_chemical_formula_sum: MAPbI3
_perovskite_dimension: 3D
_stack_sequence: SLG | ITO | TiO2-c | PCBB-2CN-2C8 | Perovskite | Spiro-MeOTAD | Au
_film_thickness_nm: 290.0
_deposition_procedure: Spin-coating
_anneal_temperature_C: -138.14999999999998
_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: 1.5
_targets.T80_hours: 200
_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): 1.530 - 1.730
- Minimum stability (T80, hours): 1
- 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_40518
_chemical_formula_sum: MAPbI3
_perovskite_dimension: 3D
_stack_sequence: SLG | ITO | NiO-c | Perovskite | PCBM-60 | AgAl
_film_thickness_nm: 250.0
_deposition_procedure: Spin-coating
_anneal_temperature_C: 100.0
_anneal_time_min: 10.0
_anneal_atmosphere: N2
_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: 1.63
_targets.T80_hours: 2
_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): 1.500 - 1.700
- Minimum stability (T80, hours): 576
- Initial efficiency (JV_default_PCE, %): 13.1
- 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_23207
_chemical_formula_sum: MAPbI3
_perovskite_dimension: 3D
_stack_sequence: SLG | ITO | PTAA | Perovskite | C60 | BCP | Cu
_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: 720
_initial.JV_default_PCE_percent: 13.1


[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: Cs, FA, MA
- Allowed B-site ions: Pb
- Allowed X-site ions: Br, I
- Preferred perovskite dimensionality: 3D
- Band gap window (eV): 1.510 - 1.710
- Minimum stability (T80, hours): 200
- 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_1749
_chemical_formula_sum: Cs0.1FA0.76MA0.14PbBr0.51I2.49
_perovskite_dimension: 3D
_stack_sequence: SLG | FTO | TiO2-c | TiO2-mp | Perovskite | Spiro-MeOTAD | Au
_film_thickness_nm: 500.0
_deposition_procedure: Spin-coating
_anneal_temperature_C: 100.0
_anneal_time_min: 60.0
_anneal_atmosphere: UNKNOWN
_encapsulation: Yes

loop_
_site A_ion occupancy
FA 0.76
MA 0.14
Cs 0.1
loop_
_site B_ion occupancy
Pb 1.0
loop_
_site X_ion occupancy
I 0.83
Br 0.17

_geometry.t_goldschmidt: 0.9657
_geometry.mu_octahedral: 0.5511

_targets.band_gap_eV: 1.61
_targets.T80_hours: 250
_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): 64
- 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_22284
_chemical_formula_sum: MAPbI3
_perovskite_dimension: 3D
_stack_sequence: SLG | FTO | NiO-c | 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: 1.59
_targets.T80_hours: 80
_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): 1.470 - 1.670
- Minimum stability (T80, hours): 384
- 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_25945
_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: 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: 1.57
_targets.T80_hours: 480
_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): 296
- 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_37229
_chemical_formula_sum: MAPbI3
_perovskite_dimension: 3D
_stack_sequence: SLG | FTO | PEDOT:PSS | Perovskite | PCBM-60 | Ag
_film_thickness_nm: 560.0
_deposition_procedure: Spin-coating
_anneal_temperature_C: 95.0
_anneal_time_min: 6.0
_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: 370
_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: Cs, FA, MA
- Allowed B-site ions: Pb
- Allowed X-site ions: Br, I
- Preferred perovskite dimensionality: 3D
- Band gap window (eV): 1.500 - 1.700
- Minimum stability (T80, hours): 576
- Initial efficiency (JV_default_PCE, %): 20.5
- 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_964
_chemical_formula_sum: Cs0.05FA0.78MA0.13PbBr0.45I2.55
_perovskite_dimension: 3D
_stack_sequence: SLG | ITO | TFB | Al2O3-np | Perovskite | PCBM-60 | BCP | Ag
_film_thickness_nm: UNKNOWN
_deposition_procedure: Spin-coating
_anneal_temperature_C: 100.0
_anneal_time_min: 40.0
_anneal_atmosphere: UNKNOWN
_encapsulation: No

loop_
_site A_ion occupancy
FA 0.8125
MA 0.1354
Cs 0.0521
loop_
_site B_ion occupancy
Pb 1.0
loop_
_site X_ion occupancy
I 0.85
Br 0.15

_geometry.t_goldschmidt: 0.9722
_geometry.mu_octahedral: 0.5499

_targets.band_gap_eV: 1.6
_targets.T80_hours: 720
_initial.JV_default_PCE_percent: 20.5


[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): 1.489 - 1.689
- Minimum stability (T80, hours): 200
- Initial efficiency (JV_default_PCE, %): 20.1
- 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_21814
_chemical_formula_sum: MAPbI3
_perovskite_dimension: 3D
_stack_sequence: SLG | ITO | NiO-np | Perovskite | C60; PCBM-60 | Zr(acac)4 | Cu
_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: 1.589
_targets.T80_hours: 250
_initial.JV_default_PCE_percent: 20.1


[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): 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_15921
_chemical_formula_sum: MAPbI3
_perovskite_dimension: 3D
_stack_sequence: SLG | ITO | C60 | Perovskite | FBA3 | MoO3 | 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: 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): 1.530 - 1.730
- Minimum stability (T80, hours): 480
- Initial efficiency (JV_default_PCE, %): 18.6
- 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_40373
_chemical_formula_sum: MAPbI3
_perovskite_dimension: 3D
_stack_sequence: SLG | ITO | P3CT-Na | Perovskite | TPE-DPP16 | C60 | BCP | Ag
_film_thickness_nm: UNKNOWN
_deposition_procedure: Evaporation
_anneal_temperature_C: 60.0
_anneal_time_min: UNKNOWN
_anneal_atmosphere: N2
_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: 1.63
_targets.T80_hours: 600
_initial.JV_default_PCE_percent: 18.6


[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): 38
- 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_6015
_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: 48
_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): 244
- 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_31115
_chemical_formula_sum: MAPbI3
_perovskite_dimension: 3D
_stack_sequence: SLG | FTO | TiO2-c | TiO2-mp | Perovskite | NaYF4:Yb:Er-np | 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: 305
_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: FA, MA
- Allowed B-site ions: Pb
- Allowed X-site ions: Br, I
- Preferred perovskite dimensionality: 3D
- Band gap window (eV): 1.500 - 1.700
- Minimum stability (T80, hours): 537
- Initial efficiency (JV_default_PCE, %): 18.8
- Soft geometry constraints: t in [0.93, 1.03], μ in [0.50, 0.60] (target t≈0.98, 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_4118
_chemical_formula_sum: FA0.85MA0.15PbBr0.45I2.55
_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: 60.0
_anneal_atmosphere: UNKNOWN
_encapsulation: No

loop_
_site A_ion occupancy
FA 0.85
MA 0.15
loop_
_site B_ion occupancy
Pb 1.0
loop_
_site X_ion occupancy
I 0.85
Br 0.15

_geometry.t_goldschmidt: 0.9782
_geometry.mu_octahedral: 0.5499

_targets.band_gap_eV: 1.6
_targets.T80_hours: 672
_initial.JV_default_PCE_percent: 18.8


[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): 460
- Initial efficiency (JV_default_PCE, %): 12.8
- 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_34221
_chemical_formula_sum: MAPbI3
_perovskite_dimension: 3D
_stack_sequence: SLG | ITO | PEDOT:PSS | Perovskite | PCBM-60 | PDINO | Al
_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: 576
_initial.JV_default_PCE_percent: 12.8


[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: Cs, FA
- Allowed B-site ions: Pb
- Allowed X-site ions: I
- Preferred perovskite dimensionality: 3D
- Band gap window (eV): 1.410 - 1.610
- Minimum stability (T80, hours): 120
- Initial efficiency (JV_default_PCE, %): nan
- Soft geometry constraints: t in [0.85, 0.92], μ in [0.49, 0.59] (target t≈0.87, 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_38639
_chemical_formula_sum: Cs0.88FA0.12PbI3
_perovskite_dimension: 3D
_stack_sequence: SLG | FTO | TiO2-c | TiO2-mp | Perovskite | Spiro-MeOTAD | Au
_film_thickness_nm: 500.0
_deposition_procedure: Spin-coating
_anneal_temperature_C: 150.0
_anneal_time_min: 30.0
_anneal_atmosphere: UNKNOWN
_encapsulation: No

loop_
_site A_ion occupancy
Cs 0.88
FA 0.12
loop_
_site B_ion occupancy
Pb 1.0
loop_
_site X_ion occupancy
I 1.0

_geometry.t_goldschmidt: 0.8673
_geometry.mu_octahedral: 0.5409

_targets.band_gap_eV: 1.51
_targets.T80_hours: 150
_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, %): 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_14042
_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: 6
_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): 1.550 - 1.750
- Minimum stability (T80, hours): 19
- 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_26520
_chemical_formula_sum: MAPbI3
_perovskite_dimension: 3D
_stack_sequence: SLG | ITO | PEDOT:PSS | Perovskite | PCBM-70 | Al
_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: 1.65
_targets.T80_hours: 24
_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: 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, %): 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_37135
_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: 145
_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): 37
- Initial efficiency (JV_default_PCE, %): 15.0
- 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_14673
_chemical_formula_sum: MAPbI3
_perovskite_dimension: 3D
_stack_sequence: SLG | ITO | PEDOT:PSS | Al2O3-np | Perovskite | PCBM-60 | Ag
_film_thickness_nm: UNKNOWN
_deposition_procedure: Spin-coating
_anneal_temperature_C: 90.0
_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: 47
_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): 441
- Initial efficiency (JV_default_PCE, %): 17.0
- 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_19387
_chemical_formula_sum: MAPbI3
_perovskite_dimension: 3D
_stack_sequence: SLG | FTO | SnO2-c | PCBM-60 | Perovskite | XPP | MoO3 | Ag
_film_thickness_nm: 500.0
_deposition_procedure: Spin-coating
_anneal_temperature_C: 100.0
_anneal_time_min: 45.0
_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: 552
_initial.JV_default_PCE_percent: 17.0


[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): 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_3220
_chemical_formula_sum: MAPbI3
_perovskite_dimension: 3D
_stack_sequence: SLG | FTO | NiO-c | Perovskite | PCBM-60 | BCP | Ag
_film_thickness_nm: UNKNOWN
_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: 1.6
_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: Cs, FA, MA
- Allowed B-site ions: Pb
- Allowed X-site ions: Br, I
- Preferred perovskite dimensionality: 3D
- Band gap window (eV): 1.500 - 1.700
- Minimum stability (T80, hours): 228
- Initial efficiency (JV_default_PCE, %): 19.3
- 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_32918
_chemical_formula_sum: Cs0.05FA0.79MA0.16PbBr0.45I2.55
_perovskite_dimension: 3D
_stack_sequence: SLG | FTO | TiO2-c | TiO2-mp | Perovskite | Spiro-MeOTAD | Au
_film_thickness_nm: 500.0
_deposition_procedure: Spin-coating
_anneal_temperature_C: 100.0
_anneal_time_min: 5.0
_anneal_atmosphere: UNKNOWN
_encapsulation: No

loop_
_site A_ion occupancy
FA 0.79
MA 0.16
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: 0.9706
_geometry.mu_octahedral: 0.5499

_targets.band_gap_eV: 1.6
_targets.T80_hours: 285
_initial.JV_default_PCE_percent: 19.3


[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): 1.400 - 1.600
- Minimum stability (T80, hours): 576
- Initial efficiency (JV_default_PCE, %): 16.1
- 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_32998
_chemical_formula_sum: MAPbI3
_perovskite_dimension: 3D
_stack_sequence: SLG | FTO | PTCA | Perovskite | Spiro-MeOTAD | Au
_film_thickness_nm: 340.0
_deposition_procedure: Spin-coating
_anneal_temperature_C: 105.0
_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: 1.5
_targets.T80_hours: 720
_initial.JV_default_PCE_percent: 16.1


[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): 153
- Initial efficiency (JV_default_PCE, %): 11.5
- 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_16504
_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: 11.5


[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): 83
- Initial efficiency (JV_default_PCE, %): 16.8
- 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_8700
_chemical_formula_sum: MAPbI3
_perovskite_dimension: 3D
_stack_sequence: SLG | FTO | TiO2-c | 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: 104
_initial.JV_default_PCE_percent: 16.8


[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): 320
- 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_4683
_chemical_formula_sum: MAPbI3
_perovskite_dimension: 3D
_stack_sequence: SLG | FTO | SnO2-np | Perovskite | Spiro-MeOTAD | Au
_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: 400
_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): 1.490 - 1.690
- Minimum stability (T80, hours): 2304
- 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_13282
_chemical_formula_sum: MAPbI3
_perovskite_dimension: 3D
_stack_sequence: SLG | ITO | poly(1,4-phenylenevinylene) | Perovskite | PCBM-60 | LiF | Ag
_film_thickness_nm: UNKNOWN
_deposition_procedure: Spin-coating
_anneal_temperature_C: 120.0
_anneal_time_min: 10.0
_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: 2880
_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): 1.500 - 1.700
- Minimum stability (T80, hours): 183
- Initial efficiency (JV_default_PCE, %): 13.2
- 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_31448
_chemical_formula_sum: MAPbI3
_perovskite_dimension: 3D
_stack_sequence: SLG | ITO | P3CT-K | Perovskite | PCBM-60 | SnO2-c | Al
_film_thickness_nm: 400.0
_deposition_procedure: Spin-coating
_anneal_temperature_C: 60.0
_anneal_time_min: UNKNOWN
_anneal_atmosphere: UNKNOWN
_encapsulation: No

loop_
_site A_ion occupancy
MA 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: 229
_initial.JV_default_PCE_percent: 13.2


[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): 1.480 - 1.680
- Minimum stability (T80, hours): 64
- 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_6123
_chemical_formula_sum: MAPbI3
_perovskite_dimension: 3D
_stack_sequence: PET | ITO | SnO2-np | Perovskite | Spiro-MeOTAD | Ag
_film_thickness_nm: 385.0
_deposition_procedure: Spin-coating
_anneal_temperature_C: 80.0
_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: 1.58
_targets.T80_hours: 80
_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): 1.380 - 1.580
- Minimum stability (T80, hours): 384
- Initial efficiency (JV_default_PCE, %): 14.1
- 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_13425
_chemical_formula_sum: MAPbI3
_perovskite_dimension: 3D
_stack_sequence: SLG | FTO | TiO2-c | TiO2-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: 1.48
_targets.T80_hours: 480
_initial.JV_default_PCE_percent: 14.1


[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): 1.480 - 1.680
- Minimum stability (T80, hours): 537
- Initial efficiency (JV_default_PCE, %): 18.1
- 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_18873
_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: 130.0
_anneal_time_min: 20.0
_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: 1.58
_targets.T80_hours: 672
_initial.JV_default_PCE_percent: 18.1


[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: 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): 1
- Initial efficiency (JV_default_PCE, %): 5.9
- 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_19576
_chemical_formula_sum: FAPbI3
_perovskite_dimension: 3D
_stack_sequence: SLG | FTO | TiO2-c | Perovskite | Spiro-MeOTAD | MoO3 | Ag
_film_thickness_nm: 400.0
_deposition_procedure: Spin-coating
_anneal_temperature_C: 150.0
_anneal_time_min: 15.0
_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: 0
_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): 134
- Initial efficiency (JV_default_PCE, %): 12.9
- 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_4344
_chemical_formula_sum: MAPbI3
_perovskite_dimension: 3D
_stack_sequence: SLG | FTO | TiO2-c | Perovskite | BDT-C1 | Ag
_film_thickness_nm: 200.0
_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: 168
_initial.JV_default_PCE_percent: 12.9


[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): 1.490 - 1.690
- Minimum stability (T80, hours): 60
- Initial efficiency (JV_default_PCE, %): 20.5
- 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_7811
_chemical_formula_sum: Cs0.05FA0.76MA0.19PbBr0.6I2.4
_perovskite_dimension: 3D
_stack_sequence: SLG | FTO | SnO2-c | 3-(1-pyridinio)-1-propanesulfonate | Perovskite | Spiro-MeOTAD | Au
_film_thickness_nm: UNKNOWN
_deposition_procedure: Spin-coating
_anneal_temperature_C: 100.0
_anneal_time_min: 60.0
_anneal_atmosphere: UNKNOWN
_encapsulation: No

loop_
_site A_ion occupancy
FA 0.76
MA 0.19
Cs 0.05
loop_
_site B_ion occupancy
Pb 1.0
loop_
_site X_ion occupancy
I 0.8
Br 0.2

_geometry.t_goldschmidt: 0.9693
_geometry.mu_octahedral: 0.5530

_targets.band_gap_eV: 1.59
_targets.T80_hours: 75
_initial.JV_default_PCE_percent: 20.5


[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): 1.490 - 1.690
- Minimum stability (T80, hours): 67
- Initial efficiency (JV_default_PCE, %): 12.2
- 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_13368
_chemical_formula_sum: MAPbI3
_perovskite_dimension: 3D
_stack_sequence: SLG | FTO | SnO2-c | SnO2-mp | Perovskite | Spiro-MeOTAD | Au
_film_thickness_nm: UNKNOWN
_deposition_procedure: Spin-coating
_anneal_temperature_C: -203.14999999999998
_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: 1.59
_targets.T80_hours: 84
_initial.JV_default_PCE_percent: 12.2


[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): 12
- 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_37953
_chemical_formula_sum: MAPbI3
_perovskite_dimension: 3D
_stack_sequence: SLG | ITO | ZnO-np | Perovskite | Spiro-MeOTAD | Au
_film_thickness_nm: UNKNOWN
_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: 16
_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: EA, MA
- Allowed B-site ions: Pb
- Allowed X-site ions: I
- Preferred perovskite dimensionality: 2D
- Band gap window (eV): 1.510 - 1.710
- Minimum stability (T80, hours): 88
- Initial efficiency (JV_default_PCE, %): 11.6
- 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_29103
_chemical_formula_sum: EA2MA5Pb6I19
_perovskite_dimension: 2D
_stack_sequence: SLG | ITO | C60 | Perovskite | Carbon
_film_thickness_nm: 500.0
_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 0.7143
EA 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: 1.61
_targets.T80_hours: 110
_initial.JV_default_PCE_percent: 11.6


[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): 480
- Initial efficiency (JV_default_PCE, %): 6.1
- 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_12673
_chemical_formula_sum: MAPbI3
_perovskite_dimension: 3D
_stack_sequence: SLG | ZnO | ITO | Ag-nw | ITO | ZnO-c | Al2O3-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: 600
_initial.JV_default_PCE_percent: 6.1


[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): 400
- Initial efficiency (JV_default_PCE, %): 5.8
- 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_1902
_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: 50.0
_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: 500
_initial.JV_default_PCE_percent: 5.8


[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): 84
- Initial efficiency (JV_default_PCE, %): 13.4
- 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_31339
_chemical_formula_sum: MAPbI3
_perovskite_dimension: 3D
_stack_sequence: SLG | FTO | TiO2-c | TiO2-mp | Perovskite | Spiro-MeOTAD | Ag
_film_thickness_nm: UNKNOWN
_deposition_procedure: Spin-coating
_anneal_temperature_C: 105.0
_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: 106
_initial.JV_default_PCE_percent: 13.4


[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): 4400
- 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_3732
_chemical_formula_sum: MAPbI3
_perovskite_dimension: 3D
_stack_sequence: SLG | ITO | PEDOT:PSS | Perovskite | PCBM-60 | Ag
_film_thickness_nm: 350.0
_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: 5500
_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): 672
- Initial efficiency (JV_default_PCE, %): 15.9
- 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_170
_chemical_formula_sum: MAPbI3
_perovskite_dimension: 3D
_stack_sequence: SLG | FTO | TiO2-c | Perovskite | Spiro-MeOTAD | Au
_film_thickness_nm: 400.0
_deposition_procedure: Spin-coating
_anneal_temperature_C: 85.0
_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: 840
_initial.JV_default_PCE_percent: 15.9


[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): 40
- 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_23408
_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: 50
_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): 1
- Initial efficiency (JV_default_PCE, %): 14.3
- 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_32241
_chemical_formula_sum: FAPbI3
_perovskite_dimension: 3D
_stack_sequence: SLG | FTO | TiO2-c | Perovskite | Spiro-MeOTAD | Au
_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: 2
_initial.JV_default_PCE_percent: 14.3


[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): 1.500 - 1.700
- Minimum stability (T80, hours): 632
- 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_24268
_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: 105.0
_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: 790
_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): 24
- Initial efficiency (JV_default_PCE, %): 6.3
- 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_12830
_chemical_formula_sum: MAPbI3
_perovskite_dimension: 3D
_stack_sequence: SLG | ITO | PEDOT:PSS | Perovskite | C60 | BCP | Ag
_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: 30
_initial.JV_default_PCE_percent: 6.3


[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): 1.500 - 1.700
- Minimum stability (T80, hours): 57
- 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_5977
_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: 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: 72
_initial.JV_default_PCE_percent: nan