Svilen Bobev
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View article: Structural Diversity and Tunable Emission in Hybrid Organic–Inorganic Copper(I) Bromides
Structural Diversity and Tunable Emission in Hybrid Organic–Inorganic Copper(I) Bromides Open
Recently, hybrid organic-inorganic copper(I) metal halides have attracted global attention due to their intriguing optical properties and low-cost solution processability. In this work, we report three hybrid organic-inorganic copper(I) br…
View article: Charting the Chemical Space of Zintl Phases with Graph Neural Networks and Bonding Insights
Charting the Chemical Space of Zintl Phases with Graph Neural Networks and Bonding Insights Open
A large number of Zintl phases have been discovered by solid-state chemists driven by empirical knowledge, chemical intuition and in some cases, through serendipitous accidents. These discoveries have only scratched the surface, given the …
View article: Synthesis, Crystal and Electronic Structure of Ca<sub>4</sub>CdIn<sub>2</sub>Ge<sub>4</sub>: A Quaternary Variant of the Monoclinic Mg<sub>5</sub>Si<sub>6</sub> Structure
Synthesis, Crystal and Electronic Structure of Ca<sub>4</sub>CdIn<sub>2</sub>Ge<sub>4</sub>: A Quaternary Variant of the Monoclinic Mg<sub>5</sub>Si<sub>6</sub> Structure Open
Reported is the synthesis of a new polar intermetallic phase, Ca 4 CdIn 2 Ge 4 , crystals of which can be readily obtained employing the In‐flux method. The structure and the chemical composition of the new compound are established based o…
View article: The Zintl pnictides Yb10CdSb9 and Yb14CdSb11: New candidate thermoelectric materials
The Zintl pnictides Yb10CdSb9 and Yb14CdSb11: New candidate thermoelectric materials Open
The synthesis of new materials is the lifeline of solid-state science, and it continues to offer us unique opportunities for testing various theoretical formulations and models on a practical material. Such an avenue, therefore, provides a…
View article: Charting the chemical space of Zintl phases with graph neural networks and bonding insights
Charting the chemical space of Zintl phases with graph neural networks and bonding insights Open
We combine graph neural networks and an upper bound energy minimization framework to explore >90 000 candidates, discovering 1810 stable Zintl phases with high precision and revealing the key role of ionic bonding in their stability.
View article: On the structure of heptalithium distannide: Li<sub>7</sub>Sn<sub>2</sub> or Li<sub>7−<i>x</i></sub>Sn<sub>2</sub> (0.3 < <i>x</i> < 0.5)
On the structure of heptalithium distannide: Li<sub>7</sub>Sn<sub>2</sub> or Li<sub>7−<i>x</i></sub>Sn<sub>2</sub> (0.3 < <i>x</i> < 0.5) Open
New structural insights into Li 7− x Sn 2 reveal partial/vacant Li occupancy.
View article: β-Yb2CdSb2—A Complex Non-Centrosymmetric Zintl Polymorph
β-Yb2CdSb2—A Complex Non-Centrosymmetric Zintl Polymorph Open
The ternary Zintl phase, Yb2CdSb2, was discovered to exist in two different polymorphic forms. In addition to the orthorhombic α-Yb2CdSb2 (space group Cmc21) known for its excellent thermoelectric properties, we present the synthesis and c…
View article: Advancing Heteroanionicity in Zintl Phases: Crystal Structures, Thermoelectric and Magnetic Properties of Two Quaternary Semiconducting Arsenide Oxides, Eu<sub>8</sub>Zn<sub>2</sub>As<sub>6</sub>O and Eu<sub>14</sub>Zn<sub>5</sub>As<sub>12</sub>O
Advancing Heteroanionicity in Zintl Phases: Crystal Structures, Thermoelectric and Magnetic Properties of Two Quaternary Semiconducting Arsenide Oxides, Eu<sub>8</sub>Zn<sub>2</sub>As<sub>6</sub>O and Eu<sub>14</sub>Zn<sub>5</sub>As<sub>12</sub>O Open
Two novel quaternary oxyarsenides, Eu8Zn2As6O and Eu14Zn5As12O, were synthesized through metal flux reactions, and their crystal structures were established by single-crysta…
View article: Completing the Ba–As Compositional Space: Synthesis and Characterization of Three New Binary Zintl Arsenides, Ba3As4, Ba5As4, and Ba16As11
Completing the Ba–As Compositional Space: Synthesis and Characterization of Three New Binary Zintl Arsenides, Ba3As4, Ba5As4, and Ba16As11 Open
Three novel binary barium arsenides, Ba3As4, Ba5As4, and Ba16As11, were synthesized and their crystal and electronic structures were investigated. Structural data collected via the single-crystal X-ray diffraction method indicate that the …
View article: CSD 2202061: Experimental Crystal Structure Determination
CSD 2202061: Experimental Crystal Structure Determination Open
An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely availabl…
View article: CSD 2202060: Experimental Crystal Structure Determination
CSD 2202060: Experimental Crystal Structure Determination Open
An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely availabl…
View article: CSD 2202063: Experimental Crystal Structure Determination
CSD 2202063: Experimental Crystal Structure Determination Open
An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely availabl…
View article: CSD 2202058: Experimental Crystal Structure Determination
CSD 2202058: Experimental Crystal Structure Determination Open
An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely availabl…
View article: CSD 2202059: Experimental Crystal Structure Determination
CSD 2202059: Experimental Crystal Structure Determination Open
An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely availabl…
View article: CSD 2202062: Experimental Crystal Structure Determination
CSD 2202062: Experimental Crystal Structure Determination Open
An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely availabl…
View article: Thermoelectric Zintl phases with ultralow thermal conductivity: synthesis, structural characterization, and transport properties of Ca<sub>10</sub>AlSb<sub>9</sub> and Ca<sub>10</sub>CdSb<sub>9</sub>
Thermoelectric Zintl phases with ultralow thermal conductivity: synthesis, structural characterization, and transport properties of Ca<sub>10</sub>AlSb<sub>9</sub> and Ca<sub>10</sub>CdSb<sub>9</sub> Open
Polyhedral coordination in disordered Ca10MSb9 (M = Al and Cd). The new Zintl phases are intrinsic semiconductors showing ultralow thermal conductivity and candidates for the optimization of their thermoelectric performance.
View article: Crystals of binary rare-earth metal germanides grown in molten indium. Synthesis and structural characterization of Nd3Ge5 and Lu3Ge4
Crystals of binary rare-earth metal germanides grown in molten indium. Synthesis and structural characterization of Nd3Ge5 and Lu3Ge4 Open
Reported are the synthesis and the crystal structure determination of a new polymorphic form of the rare-earth metal germanide Nd3Ge5. As established by single-crystal X-ray diffraction methods, Nd3Ge5 crystallizes in a hexagonal crystal s…
View article: Crystals of binary rare-earth metal germanides grown in molten indium. Synthesis and structural characterization of Nd3Ge5 and Lu3Ge4
Crystals of binary rare-earth metal germanides grown in molten indium. Synthesis and structural characterization of Nd3Ge5 and Lu3Ge4 Open
Reported are the synthesis and the crystal structure determination of a new polymorphic form of the rare-earth metal germanide Nd3Ge5. As established by single-crystal X-ray diffraction methods, Nd3Ge5 crystallizes in a hexagonal crystal s…
View article: Results from Exploratory Work in Li-Rich Regions of the AE-Li-Ge Systems (AE = Ca, Sr, Ba)
Results from Exploratory Work in Li-Rich Regions of the AE-Li-Ge Systems (AE = Ca, Sr, Ba) Open
The compounds AELi2Ge (AE = Ca, Sr and Ba) were synthesized, and their structures were determined as a part of the exploratory work in the Li-rich regions of the respective ternary systems. The three compounds are isostructural, and their …
View article: Ba5Sb8: The Highest Homologue of the Family of Binary Semiconducting Barium Antimonides BanSb2n−2 (n ≥ 2)
Ba5Sb8: The Highest Homologue of the Family of Binary Semiconducting Barium Antimonides BanSb2n−2 (n ≥ 2) Open
A novel binary compound within the Ba–Sb phase diagram, Ba5Sb8, was synthesized by combining elements with an excess of Sb in an alumina crucible. Structural elucidation was performed using single-crystal X-ray diffraction. This compound c…
View article: CSD 2071610: Experimental Crystal Structure Determination
CSD 2071610: Experimental Crystal Structure Determination Open
An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely availabl…
View article: CSD 2115035: Experimental Crystal Structure Determination
CSD 2115035: Experimental Crystal Structure Determination Open
An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely availabl…
View article: CSD 2115036: Experimental Crystal Structure Determination
CSD 2115036: Experimental Crystal Structure Determination Open
An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely availabl…
View article: Synthesis and Crystal and Electronic Structures of the Zintl Phase Sr21Cd4Sb18
Synthesis and Crystal and Electronic Structures of the Zintl Phase Sr21Cd4Sb18 Open
Reported herein are the synthesis and crystal chemistry analysis of the Zintl phase Sr21Cd4Sb18. Single crystals of this compound were grown using the Sn-flux method, and structural characterization was carried out using single-crystal X-r…
View article: CSD 2284142: Experimental Crystal Structure Determination
CSD 2284142: Experimental Crystal Structure Determination Open
An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely availabl…
View article: CSD 2269349: Experimental Crystal Structure Determination
CSD 2269349: Experimental Crystal Structure Determination Open
An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely availabl…
View article: CSD 2278320: Experimental Crystal Structure Determination
CSD 2278320: Experimental Crystal Structure Determination Open
An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely availabl…
View article: CSD 2278321: Experimental Crystal Structure Determination
CSD 2278321: Experimental Crystal Structure Determination Open
An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely availabl…
View article: Front Cover: Synthesis, crystal and electronic structure of the Zintl phase Ba<sub>16</sub>Sb<sub>11</sub>. A case study uncovering greater structural complexity via monoclinic distortion of the tetragonal Ca<sub>16</sub>Sb<sub>11</sub> structure type. (Z. Anorg. Allg. Chem. 18/2023)
Front Cover: Synthesis, crystal and electronic structure of the Zintl phase Ba<sub>16</sub>Sb<sub>11</sub>. A case study uncovering greater structural complexity via monoclinic distortion of the tetragonal Ca<sub>16</sub>Sb<sub>11</sub> structure type. (Z. Anorg. Allg. Chem. 18/2023) Open
The cover picture shows fragments from the monoclinic structure of Ba16Sb11, revealing the arrangement of antiprism-prism units made up of Ba atoms and centered by Sb atoms, some of which are dimerized. The illustration captures the essenc…
View article: The Synthesis and Crystal Structure of Six Quaternary Lithium-Alkaline Earth Metal Alumo-Silicides and Alumo-Germanides, A2LiAlTt2 (A = Mg, Ca, Sr, Ba; Tt = Si, Ge)
The Synthesis and Crystal Structure of Six Quaternary Lithium-Alkaline Earth Metal Alumo-Silicides and Alumo-Germanides, A2LiAlTt2 (A = Mg, Ca, Sr, Ba; Tt = Si, Ge) Open
Reported are the synthesis and structural characterization of a series of quaternary lithium-alkaline earth metal alumo-silicides and alumo-germanides with the base formula A2LiAlTt2 (A = Ca, Sr, Ba; Tt = Si, Ge). To synthesize each compou…