We recently noticed two errors that have led to an addition and correction to J. Am. Chem. Soc. 2020, 142 (11), 5135–5145, DOI: 10.1021/jacs.9b12440. An error in the application of perovskite probabilities, P(τ), used to select the set of compounds for evaluation artificially excluded 51 compounds from further evaluation. These compounds have now been evaluated in the same manner as the original 311. A second error in data processing led to the exclusion of potential competing phases in the Cs–B–B′–Cl chemical spaces used to compute the stability (ΔH_d) of each compound. The stabilities of affected compounds have been recomputed considering these additional competing phases. The conclusions published in the original manuscript are unchanged, and the addition of 51 compounds to the data set further emphasizes the potential for new materials discovery in this chemical space with the number of materials predicted to be nontoxic and (meta)stable and have desirable band gaps for optoelectronic applications increasing from 47 in the originally published version to 55 with the Addition and Correction. Revised versions of Figure 2, Table S1, an interactive version of Figure 2 (in the SI), and a downloadable version of Table S1 (in the SI) are provided here. These figures and tables contain the calculated stabilities and band gaps of all 362 compounds. Figure 2. Map of Cs₂BB′Cl₆ properties. B and B′ are defined along each axis (note that B and B′ are treated equivalently in this work; therefore, the data are mirrored across the diagonal line). Stable compounds (ΔH_d ≤ 0 eV/atom) are shown in blue, nearly stable compounds (0 ≤ ΔH_d < 0.05 eV/atom) are shown in purple, and unstable compounds are shown in red (ΔH_d > 0.05 eV/atom), where ΔH_d is calculated with SCAN. The color intensity of each compound corresponds to the band gap calculated using single-point HSE06 at the SCAN-optimized geometry (spHSE06@SCAN). Compounds that have direct band gaps are indicated with an open green circle. Compounds that have indirect gaps that are within 100 meV of the direct gap are indicated with an open gold square. Compounds that have been reported experimentally are indicated with a pink ×. An interactive version of this plot that assists with navigation and displays additional properties is available in the Supporting Information. The Supporting Information is available free of charge at https://pubs.acs.org/doi/10.1021/jacs.0c08740.

• Revised version of Table S1: list of all Cs₂BB′Cl₆ compounds screened in this study sorted by their B and B′ cations (PDF)
• Interactive version of Figure 2 (ZIP)
• Downloadable version of Table S1 (TXT)

Revised version of Table S1: list of all Cs₂BB′Cl₆ compounds screened in this study sorted by their B and B′ cations (PDF) Interactive version of Figure 2 (ZIP) Downloadable version of Table S1 (TXT) Most electronic Supporting Information files are available without a subscription to ACS Web Editions. Such files may be downloaded by article for research use (if there is a public use license linked to the relevant article, that license may permit other uses). Permission may be obtained from ACS for other uses through requests via the RightsLink permission system: http://pubs.acs.org/page/copyright/permissions.html. This article has not yet been cited by other publications. Figure 2. Map of Cs₂BB′Cl₆ properties. B and B′ are defined along each axis (note that B and B′ are treated equivalently in this work; therefore, the data are mirrored across the diagonal line). Stable compounds (ΔH_d ≤ 0 eV/atom) are shown in blue, nearly stable compounds (0 ≤ ΔH_d < 0.05 eV/atom) are shown in purple, and unstable compounds are shown in red (ΔH_d > 0.05 eV/atom), where ΔH_d is calculated with SCAN. The color intensity of each compound corresponds to the band gap calculated using single-point HSE06 at the SCAN-optimized geometry (spHSE06@SCAN). Compounds that have direct band gaps are indicated with an open green circle. Compounds that have indirect gaps that are within 100 meV of the direct gap are indicated with an open gold square. Compounds that have been reported experimentally are indicated with a pink ×. An interactive version of this plot that assists with navigation and displays additional properties is available in the Supporting Information. The Supporting Information is available free of charge at https://pubs.acs.org/doi/10.1021/jacs.0c08740.

• Revised version of Table S1: list of all Cs₂BB′Cl₆ compounds screened in this study sorted by their B and B′ cations (PDF)
• Interactive version of Figure 2 (ZIP)
• Downloadable version of Table S1 (TXT)

Revised version of Table S1: list of all Cs₂BB′Cl₆ compounds screened in this study sorted by their B and B′ cations (PDF) Interactive version of Figure 2 (ZIP) Downloadable version of Table S1 (TXT) Most electronic Supporting Information files are available without a subscription to ACS Web Editions. Such files may be downloaded by article for research use (if there is a public use license linked to the relevant article, that license may permit other uses). Permission may be obtained from ACS for other uses through requests via the RightsLink permission system: http://pubs.acs.org/page/copyright/permissions.html.

中文翻译：

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对“具有通过亚晶格混合调制的光电特性的无机卤化物双钙钛矿”的校正。

我们最近注意到了两个错误，这些错误导致对J. Am。的添加和更正。化学 Soc。2020，142（11），5135-5145，DOI：10.1021 / jacs.9b12440。钙钛矿概率应用中的错误P（τ），用于选择一组要评估的化合物，从而人为地排除了51种化合物。这些化合物现在已经以相同的方式评价为数据中的原始311的第二个差错处理导致潜在竞争相在的Cs-排斥乙-乙用于计算稳定性'-Cl化学空间（Δ ħ _d）的每个化合物。考虑到这些额外的竞争阶段，已经重新计算了受影响化合物的稳定性。原始手稿中发表的结论没有改变，向数据集中添加51种化合物进一步强调了在该化学领域发现新材料的潜力，预计该材料的数量将是无毒且（亚）稳定且具有理想谱带的光电应用的差距从最初发布的版本中的47个增加到了添加和更正之后的55个。这里提供了图2，表S1的修订版本，图2的交互版本（在SI中）和表S1的可下载版本（在SI中）。这些图和表包含所有362种化合物的计算出的稳定性和带隙。图2. Cs _2的地图BB '氯₆的性质。B和B '沿每个轴定义（请注意，B和B '在这项工作中被等效处理；因此，数据在对角线上被镜像）。稳定的化合物（Δ ħ _d ≤0伏特/原子）以蓝色显示，几乎稳定的化合物（0≤Δ ħ _d <0.05电子伏特/原子）示于紫色，红色（Δ示不稳定化合物ħ _d > 0.05 eV / atom），其中ΔH _d用SCAN计算。每种化合物的色强度对应于在SCAN优化的几何结构（spHSE06 @ SCAN）下使用单点HSE06计算的带隙。具有直接带隙的化合物用空心绿色圆圈表示。间接间隙在直接间隙100 meV之内的化合物用空心金标表示。实验报告的化合物以粉红色×表示。支持信息中提供了该图的交互式版本，可帮助导航并显示其他属性。可从https://pubs.acs.org/doi/10.1021/jacs.0c08740免费获得支持信息。

• 表S1的修订版：所有Cs的列表₂ BB '氯₆在本研究中筛选的化合物排序可以通过乙和乙'阳离子（PDF）
• 图2的交互式版本（ZIP）
• 表S1（TXT）的可下载版本

表S1的修订版：所有Cs的列表₂ BB '氯₆在本研究中筛选的化合物排序可以通过乙和乙'阳离子（PDF）图2（ZIP）表S1（TXT）的可下载的版本大多数电子支持的互动版本无需订阅ACS Web版本即可获得信息文件。此类文件可以按文章下载以供研究使用（如果相关文章链接有公共使用许可，则该许可可能允许其他用途）。可以通过RightsLink许可系统通过http://pubs.acs.org/page/copyright/permissions.html的请求，从ACS获得许可以用于其他用途。本文尚未被其他出版物引用。图2. Cs ₂ BB的映射'Cl ₆性质。B和B '沿每个轴定义（请注意，B和B '在这项工作中被等效处理；因此，数据在对角线上被镜像）。稳定的化合物（Δ ħ _d ≤0伏特/原子）以蓝色显示，几乎稳定的化合物（0≤Δ ħ _d <0.05电子伏特/原子）示于紫色，红色（Δ示不稳定化合物ħ _d > 0.05 eV / atom），其中ΔH _d用SCAN计算。每种化合物的色强度对应于在SCAN优化的几何结构（spHSE06 @ SCAN）下使用单点HSE06计算的带隙。具有直接带隙的化合物用空心绿色圆圈表示。间接间隙在直接间隙100 meV之内的化合物用空心金标表示。实验报告的化合物以粉红色×表示。支持信息中提供了该图的交互式版本，可帮助导航并显示其他属性。可从https://pubs.acs.org/doi/10.1021/jacs.0c08740免费获得支持信息。

• 表S1的修订版：所有Cs的列表₂ BB '氯₆在本研究中筛选的化合物排序可以通过乙和乙'阳离子（PDF）
• 图2的交互式版本（ZIP）
• 表S1（TXT）的可下载版本

表S1的修订版：所有Cs的列表₂ BB '氯₆在本研究中筛选的化合物排序可以通过乙和乙'阳离子（PDF）图2（ZIP）表S1（TXT）的可下载的版本大多数电子支持的互动版本无需订阅ACS Web版本即可获得信息文件。此类文件可以按文章下载以供研究使用（如果相关文章链接有公共使用许可，则该许可可能允许其他用途）。可以通过RightsLink许可系统通过http://pubs.acs.org/page/copyright/permissions.html的请求，从ACS获得许可以用于其他用途。