cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1664180
title: Materials Data on MgSi by Materials Project

description: MgSi crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded in a 6-coordinate geometry to seven Si atoms. There are a spread of Mg–Si bond distances ranging from 2.77–3.14 Å. In the second Mg site, Mg is bonded in a 12-coordinate geometry to seven Si atoms. There are a spread of Mg–Si bond distances ranging from 2.74–2.95 Å. In the third Mg site, Mg is bonded in a 7-coordinate geometry to seven Si atoms. There are a spread of Mg–Si bond distances ranging from 2.80–3.10 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 10-coordinate geometry to seven Mg and three Si atoms. There are a spread of Si–Si bond distances ranging from 2.49–2.92 Å. In the second Si site, Si is bonded in a 10-coordinate geometry to seven Mg and three Si atoms. There are one shorter (2.56 Å) and one longer (2.77 Å) Si–Si bond lengths. In the third Si site, Si is bonded in a 1-coordinate geometry to seven Mg and four Si atoms. The Si–Si bond length is 2.62 Å.
DOI: 10.14457/tu.the.2019.1106
title: กลยุทธ์การสื่อสารของยูทูบเบอร์ที่มีความหลากหลายทางเพศ

description: การวิจัยนี้มีวัตถุประสงค์เพื่อศึกษากลยุทธ์การสื่อสารของยูทูบเบอร์ที่มีความหลากหลายทางเพศ และเพื่อศึกษาความคิดเห็นของผู้รับสารที่มีต่อเนื้อหาของยูทูบเบอร์ที่มีความหลากหลายทางเพศ โดยการวิจัยเชิงคุณภาพ (Qualitative Research) แบ่งออกเป็น 2 วิธีในการเก็บข้อมูล ได้แก่ การสัมภาษณ์แบบเชิงลึก (In-Depth Interview) ยูทูบเบอร์ที่มีความหลากหลายทางเพศ จำนวน 3 ราย และการวิเคราะห์เนื้อหาคลิปวิดีโอ (Content Analysis) ที่ได้รับความนิยมสูงสุดตั้งแต่ปี พ.ศ. 2560 – 2563 จำนวน 5 คลิปวิดีโอ เป็นจำนวนทั้งหมด 15 คลิปวิดีโอ รวมทั้งความคิดเห็นของผู้รับสารใต้คลิปวิดีโอที่ได้รับความนิยมสูงสุด 15 คลิปวิดีโอ คัดเลือกความคิดเห็นตั้งแต่เริ่มเผยแพร่คลิปวิดีโอจนถึงวันที่ 5 พฤษภาคม 2563 ผลการวิจัยพบว่า ยูทูบเบอร์ที่มีความหลากหลายทางเพศใช้กลยุทธ์การสื่อสารที่แตกต่างกัน ประกอบด้วย (1) การนำเสนอเนื้อหาที่เกี่ยวกับของตนเองที่มีอัตลักษณ์เฉพาะตัวของบุคคลที่มีความหลากหลายทางเพศ (2) การนำเสนอเนื้อหาด้านการแต่งหน้าที่มีรูปแบบหลากหลาย (3) การสื่อสารด้วยเนื้อหาที่ให้ความรู้เกี่ยวกับบุคคลที่มีความหลากหลายทางเพศ (4) การสื่อสารด้วยรูปแบบวิดีโอที่เหมาะสมกับเนื้อหา (5) การสร้างเอกลักษณ์ที่ชัดเจนด้วยความเป็นธรรมชาติและความตลก (6) การนำเสนอเนื้อหาที่ให้ความบันเทิงและสนุกโดยร่วมมือกับแชนแนลอื่น (Collabs) (7) การสร้างรูปหน้าปกที่สร้างจุดสนใจและสื่อสารอย่างชัดเจน ส่วนความคิดเห็นของผู้รับสารที่มีต่อเนื้อหาของยูทูบเบอร์ที่มีความหลากหลายทางเพศนั้นเป็นการตอบสนองต่อสารของผู้รับสารที่มีต่อการนำเสนอเนื้อหา ซึ่งประกอบด้วยความคิดเห็นเชิงบวกต่อเนื้อหาที่เกี่ยวกับอัตลักษณ์และการสร้างเนื้อหาของบุคคลที่มีความหลากหลายทางเพศ และความคิดเห็นเชิงบวกต่อยูทูบเบอร์ที่มีความหลากหลายทางเพศที่เกี่ยวกับการชื่นชม ความประทับใจในอัตลักษณ์และบุคลิกภาพ ส่วนความคิดเห็นเชิงลบต่อยูทูบเบอร์ที่มีความหลากหลายทางเพศเป็นความคิดเห็นในเชิงลักษณะเหยียดเพศจากอคติส่วนตัว และความคิดเห็นเสนอแนะต่อเนื้อหาคือการสนับสนุนเพื่อให้เกิดการต่อยอดและพัฒนาเนื้อหาในครั้งต่อไป
DOI: 10.17188/1664182
title: Materials Data on KSc(WO4)2 by Materials Project

description: KSc(WO4)2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. K1+ is bonded to twelve O2- atoms to form KO12 cuboctahedra that share edges with six equivalent KO12 cuboctahedra, edges with six equivalent WO4 tetrahedra, and faces with two equivalent ScO6 octahedra. There are six shorter (3.13 Å) and six longer (3.44 Å) K–O bond lengths. Sc3+ is bonded to six equivalent O2- atoms to form ScO6 octahedra that share corners with six equivalent WO4 tetrahedra and faces with two equivalent KO12 cuboctahedra. All Sc–O bond lengths are 2.10 Å. W6+ is bonded to four O2- atoms to form WO4 tetrahedra that share corners with three equivalent ScO6 octahedra and edges with three equivalent KO12 cuboctahedra. The corner-sharing octahedral tilt angles are 18°. There is one shorter (1.78 Å) and three longer (1.83 Å) W–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one K1+, one Sc3+, and one W6+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to three equivalent K1+ and one W6+ atom.
DOI: 10.17188/1664184
title: Materials Data on Li2TiFeO4 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1664185
title: Materials Data on AmTe by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1664186
title: Materials Data on Bi2WO6 by Materials Project

description: Bi2WO6 crystallizes in the orthorhombic Pca2_1 space group. The structure is three-dimensional. W6+ is bonded to five O2- atoms to form WO5 trigonal bipyramids that share corners with two equivalent BiO5 square pyramids and corners with two equivalent WO5 trigonal bipyramids. There are a spread of W–O bond distances ranging from 1.94–2.20 Å. There are two inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.09–2.77 Å. In the second Bi3+ site, Bi3+ is bonded to five O2- atoms to form BiO5 square pyramids that share corners with two equivalent WO5 trigonal bipyramids and edges with two equivalent BiO5 square pyramids. There are a spread of Bi–O bond distances ranging from 2.06–2.49 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one W6+ and two equivalent Bi3+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent W6+ and one Bi3+ atom. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to two Bi3+ atoms. In the fourth O2- site, O2- is bonded in a trigonal non-coplanar geometry to two equivalent Bi3+ and one O2- atom. The O–O bond length is 1.49 Å. In the fifth O2- site, O2- is bonded in a trigonal non-coplanar geometry to one W6+ and two equivalent Bi3+ atoms. In the sixth O2- site, O2- is bonded in a 4-coordinate geometry to one W6+, two equivalent Bi3+, and one O2- atom.
DOI: 10.17188/1664187
title: Materials Data on Li2ZnCdP2 by Materials Project

description: Li2CdZnP2 is half-Heusler-derived structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a body-centered cubic geometry to three equivalent Cd2+, one Zn2+, and four P3- atoms. All Li–Cd bond lengths are 2.54 Å. The Li–Zn bond length is 2.47 Å. There are three shorter (2.51 Å) and one longer (2.66 Å) Li–P bond lengths. In the second Li1+ site, Li1+ is bonded in a distorted body-centered cubic geometry to one Cd2+, three equivalent Zn2+, and four P3- atoms. The Li–Cd bond length is 2.55 Å. All Li–Zn bond lengths are 2.49 Å. There are one shorter (2.41 Å) and three longer (2.50 Å) Li–P bond lengths. Cd2+ is bonded to four Li1+ and six P3- atoms to form distorted CdLi4P6 tetrahedra that share corners with four equivalent PLi4Zn3Cd3 tetrahedra, edges with six PLi4Zn3Cd3 tetrahedra, and faces with six equivalent CdLi4P6 tetrahedra. There are three shorter (2.94 Å) and three longer (2.95 Å) Cd–P bond lengths. Zn2+ is bonded in a 10-coordinate geometry to four Li1+ and six P3- atoms. There are three shorter (2.85 Å) and three longer (2.87 Å) Zn–P bond lengths. There are two inequivalent P3- sites. In the first P3- site, P3- is bonded to four Li1+, three equivalent Cd2+, and three equivalent Zn2+ atoms to form distorted PLi4Zn3Cd3 tetrahedra that share corners with six equivalent PLi4Zn3Cd3 tetrahedra, edges with three equivalent CdLi4P6 tetrahedra, and faces with twelve PLi4Zn3Cd3 tetrahedra. In the second P3- site, P3- is bonded to four Li1+, three equivalent Cd2+, and three equivalent Zn2+ atoms to form distorted PLi4Zn3Cd3 tetrahedra that share corners with four equivalent CdLi4P6 tetrahedra, corners with six equivalent PLi4Zn3Cd3 tetrahedra, edges with three equivalent CdLi4P6 tetrahedra, and faces with twelve PLi4Zn3Cd3 tetrahedra.
DOI: 10.17188/1664188
title: Materials Data on K2V3O8 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1664190
title: Materials Data on Hf3Se by Materials Project

description: Hf3Se is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Hf is bonded in a distorted square co-planar geometry to four equivalent Se atoms. All Hf–Se bond lengths are 3.07 Å. Se is bonded to twelve equivalent Hf atoms to form a mixture of corner and face-sharing SeHf12 cuboctahedra.
DOI: 10.17188/1664191
title: Materials Data on Ho2CuSb3 by Materials Project

description: (HoSb)2CuSb crystallizes in the tetragonal P4/mmm space group. The structure is zero-dimensional and consists of one antimony molecule, one copper molecule, and two HoSb clusters. In each HoSb cluster, Ho3+ is bonded in a single-bond geometry to one Sb+2.33- atom. The Ho–Sb bond length is 2.62 Å. Sb+2.33- is bonded in a single-bond geometry to one Ho3+ atom.
DOI: 10.17188/1664193
title: Materials Data on Ba10BrN5Cl4 by Materials Project

description: Ba10N5BrCl4 is Caswellsilverite-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are five inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded to three equivalent N3- and three equivalent Br1- atoms to form a mixture of distorted corner and edge-sharing BaBr3N3 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. All Ba–N bond lengths are 2.81 Å. All Ba–Br bond lengths are 3.44 Å. In the second Ba2+ site, Ba2+ is bonded to three equivalent N3- and three equivalent Cl1- atoms to form a mixture of corner and edge-sharing BaN3Cl3 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ba–N bond lengths are 2.83 Å. All Ba–Cl bond lengths are 3.36 Å. In the third Ba2+ site, Ba2+ is bonded to three equivalent N3- and three equivalent Cl1- atoms to form a mixture of corner and edge-sharing BaN3Cl3 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ba–N bond lengths are 2.83 Å. All Ba–Cl bond lengths are 3.37 Å. In the fourth Ba2+ site, Ba2+ is bonded to three equivalent N3- and three equivalent Cl1- atoms to form a mixture of corner and edge-sharing BaN3Cl3 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. All Ba–N bond lengths are 2.83 Å. All Ba–Cl bond lengths are 3.35 Å. In the fifth Ba2+ site, Ba2+ is bonded to three equivalent N3- and three equivalent Cl1- atoms to form a mixture of corner and edge-sharing BaN3Cl3 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ba–N bond lengths are 2.83 Å. All Ba–Cl bond lengths are 3.37 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded to six Ba2+ atoms to form NBa6 octahedra that share corners with three equivalent ClBa6 octahedra, edges with three equivalent ClBa6 octahedra, and edges with six equivalent NBa6 octahedra. The corner-sharing octahedral tilt angles are 12°. In the second N3- site, N3- is bonded to six Ba2+ atoms to form NBa6 octahedra that share corners with six ClBa6 octahedra, edges with six equivalent NBa6 octahedra, and edges with six ClBa6 octahedra. The corner-sharing octahedra tilt angles range from 12–13°. In the third N3- site, N3- is bonded to six equivalent Ba2+ atoms to form NBa6 octahedra that share corners with six equivalent ClBa6 octahedra, edges with six equivalent NBa6 octahedra, and edges with six equivalent ClBa6 octahedra. The corner-sharing octahedral tilt angles are 13°. Br1- is bonded in a 6-coordinate geometry to six equivalent Ba2+ atoms. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded to six Ba2+ atoms to form distorted ClBa6 octahedra that share corners with six NBa6 octahedra, edges with six NBa6 octahedra, and edges with six equivalent ClBa6 octahedra. The corner-sharing octahedral tilt angles are 12°. In the second Cl1- site, Cl1- is bonded to six Ba2+ atoms to form distorted ClBa6 octahedra that share corners with six NBa6 octahedra, edges with six NBa6 octahedra, and edges with six equivalent ClBa6 octahedra. The corner-sharing octahedral tilt angles are 13°.
DOI: 10.17188/1664195
title: Materials Data on TmSnPd by Materials Project

description: TmPdSn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Tm is bonded in a 11-coordinate geometry to five Pd and six equivalent Sn atoms. There are four shorter (3.01 Å) and one longer (3.06 Å) Tm–Pd bond lengths. There are two shorter (3.20 Å) and four longer (3.30 Å) Tm–Sn bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to three equivalent Tm and six equivalent Sn atoms. All Pd–Sn bond lengths are 2.78 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to six equivalent Tm and three equivalent Sn atoms. All Pd–Sn bond lengths are 2.85 Å. Sn is bonded in a 10-coordinate geometry to six equivalent Tm and four Pd atoms.
DOI: 10.17188/1664197
title: Materials Data on CaH2F4 by Materials Project

description: Ca(HF2)2 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. Ca2+ is bonded in a 8-coordinate geometry to eight equivalent F1- atoms. There are four shorter (2.38 Å) and four longer (2.39 Å) Ca–F bond lengths. H1+ is bonded in a linear geometry to two equivalent F1- atoms. Both H–F bond lengths are 1.15 Å. F1- is bonded in a distorted single-bond geometry to two equivalent Ca2+ and one H1+ atom.
DOI: 10.17188/1664198
title: Materials Data on S4I2O15 by Materials Project

description: S4O15I2 crystallizes in the triclinic P1 space group. The structure is two-dimensional and consists of one S4O15I2 sheet oriented in the (1, 0, 1) direction. there are four inequivalent S5+ sites. In the first S5+ site, S5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of S–O bond distances ranging from 1.43–1.66 Å. In the second S5+ site, S5+ is bonded to four O2- atoms to form corner-sharing SO4 tetrahedra. There are a spread of S–O bond distances ranging from 1.43–1.68 Å. In the third S5+ site, S5+ is bonded to four O2- atoms to form corner-sharing SO4 tetrahedra. There are a spread of S–O bond distances ranging from 1.43–1.64 Å. In the fourth S5+ site, S5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of S–O bond distances ranging from 1.43–1.65 Å. There are fifteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one S5+ and one I5+ atom. The O–I bond length is 2.17 Å. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one S5+ and one I5+ atom. The O–I bond length is 1.99 Å. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to one S5+ and one I5+ atom. The O–I bond length is 1.97 Å. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one S5+ and one I5+ atom. The O–I bond length is 2.06 Å. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one S5+ and one I5+ atom. The O–I bond length is 2.26 Å. In the sixth O2- site, O2- is bonded in a single-bond geometry to one S5+ atom. In the seventh O2- site, O2- is bonded in a bent 120 degrees geometry to two S5+ atoms. In the eighth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one S5+ and one I5+ atom. The O–I bond length is 2.13 Å. In the ninth O2- site, O2- is bonded in a single-bond geometry to one S5+ atom. In the tenth O2- site, O2- is bonded in a single-bond geometry to one S5+ atom. In the eleventh O2- site, O2- is bonded in a single-bond geometry to one S5+ and one I5+ atom. The O–I bond length is 2.74 Å. In the twelfth O2- site, O2- is bonded in a single-bond geometry to one S5+ atom. In the thirteenth O2- site, O2- is bonded in a single-bond geometry to one S5+ atom. In the fourteenth O2- site, O2- is bonded in a single-bond geometry to one S5+ and one I5+ atom. The O–I bond length is 2.69 Å. In the fifteenth O2- site, O2- is bonded in a single-bond geometry to one S5+ atom. There are two inequivalent I5+ sites. In the first I5+ site, I5+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. In the second I5+ site, I5+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms.
DOI: 10.17188/1664199
title: Materials Data on Li2Ti3V3O12 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1664200
title: Materials Data on P3(PbO5)2 by Materials Project

description: P3(PbO5)2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Pb3+ sites. In the first Pb3+ site, Pb3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Pb–O bond distances ranging from 2.43–2.75 Å. In the second Pb3+ site, Pb3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Pb–O bond distances ranging from 2.43–2.77 Å. There are three inequivalent P+4.67+ sites. In the first P+4.67+ site, P+4.67+ is bonded to four O2- atoms to form corner-sharing PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.51–1.61 Å. In the second P+4.67+ site, P+4.67+ is bonded to four O2- atoms to form corner-sharing PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.52–1.64 Å. In the third P+4.67+ site, P+4.67+ is bonded to four O2- atoms to form corner-sharing PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.52–1.64 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Pb3+ and one P+4.67+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Pb3+ and one P+4.67+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to two Pb3+ and one P+4.67+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two Pb3+ and one P+4.67+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to two Pb3+ and one P+4.67+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to two Pb3+ and one P+4.67+ atom. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to two Pb3+ and one P+4.67+ atom. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to two Pb3+ and one P+4.67+ atom. In the ninth O2- site, O2- is bonded in a bent 120 degrees geometry to two P+4.67+ atoms. In the tenth O2- site, O2- is bonded in a bent 120 degrees geometry to two P+4.67+ atoms.
DOI: 10.17188/1664201
title: Materials Data on PuZnAu2 by Materials Project

description: PuAu2Zn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pu is bonded in a body-centered cubic geometry to eight equivalent Au atoms. All Pu–Au bond lengths are 3.02 Å. Au is bonded in a body-centered cubic geometry to four equivalent Pu and four equivalent Zn atoms. All Au–Zn bond lengths are 3.02 Å. Zn is bonded in a body-centered cubic geometry to eight equivalent Au atoms.
DOI: 10.17188/1664202
title: Materials Data on Gd3TiS6 by Materials Project

description: Gd3TiS6 crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. there are three inequivalent Gd3+ sites. In the first Gd3+ site, Gd3+ is bonded to seven S2- atoms to form distorted GdS7 pentagonal bipyramids that share a cornercorner with one TiS6 octahedra, edges with two equivalent TiS6 octahedra, and edges with two equivalent GdS7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 31°. There are a spread of Gd–S bond distances ranging from 2.76–2.90 Å. In the second Gd3+ site, Gd3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Gd–S bond distances ranging from 2.80–3.22 Å. In the third Gd3+ site, Gd3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Gd–S bond distances ranging from 2.83–2.97 Å. There are two inequivalent Ti3+ sites. In the first Ti3+ site, Ti3+ is bonded to six S2- atoms to form TiS6 octahedra that share edges with two equivalent TiS6 octahedra and edges with four equivalent GdS7 pentagonal bipyramids. There are two shorter (2.50 Å) and four longer (2.52 Å) Ti–S bond lengths. In the second Ti3+ site, Ti3+ is bonded to six S2- atoms to form TiS6 octahedra that share corners with two equivalent GdS7 pentagonal bipyramids and edges with two equivalent TiS6 octahedra. There are two shorter (2.38 Å) and four longer (2.55 Å) Ti–S bond lengths. There are six inequivalent S2- sites. In the first S2- site, S2- is bonded to three Gd3+ and two equivalent Ti3+ atoms to form distorted SGd3Ti2 trigonal bipyramids that share corners with two equivalent SGd4Ti square pyramids, corners with six SGd3Ti2 trigonal bipyramids, an edgeedge with one SGd4Ti square pyramid, and edges with four SGd3Ti2 trigonal bipyramids. In the second S2- site, S2- is bonded to four Gd3+ and one Ti3+ atom to form distorted SGd4Ti square pyramids that share a cornercorner with one SGd4Ti square pyramid, corners with six SGd3Ti2 trigonal bipyramids, edges with two equivalent SGd4Ti square pyramids, and edges with two SGd3Ti2 trigonal bipyramids. In the third S2- site, S2- is bonded in a 5-coordinate geometry to three Gd3+ and two equivalent Ti3+ atoms. In the fourth S2- site, S2- is bonded to five Gd3+ atoms to form distorted SGd5 trigonal bipyramids that share corners with four equivalent SGd4Ti square pyramids, corners with four equivalent SGd3Ti2 trigonal bipyramids, an edgeedge with one SGd4Ti square pyramid, and edges with three SGd3Ti2 trigonal bipyramids. In the fifth S2- site, S2- is bonded in a 5-coordinate geometry to five Gd3+ atoms. In the sixth S2- site, S2- is bonded in a 4-coordinate geometry to three Gd3+ and one Ti3+ atom.
DOI: 10.17188/1664203
title: Materials Data on Li5V3P8O29 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1664204
title: Materials Data on MgGaAu2 by Materials Project

description: MgAu2Ga crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mg is bonded in a 8-coordinate geometry to eight equivalent Au atoms. There are six shorter (2.93 Å) and two longer (2.95 Å) Mg–Au bond lengths. Au is bonded in a 7-coordinate geometry to four equivalent Mg and three equivalent Ga atoms. All Au–Ga bond lengths are 2.69 Å. Ga is bonded in a distorted hexagonal planar geometry to six equivalent Au atoms.
DOI: 10.17188/1664205
title: Materials Data on YMgPd2 by Materials Project

description: YPd2Mg crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two YPd2Mg ribbons oriented in the (1, 0, 0) direction. Mg is bonded in a linear geometry to two equivalent Pd atoms. Both Mg–Pd bond lengths are 2.65 Å. Y is bonded in a linear geometry to two equivalent Pd atoms. Both Y–Pd bond lengths are 2.42 Å. Pd is bonded in a linear geometry to one Mg and one Y atom.