cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1187406
title: Materials Data on Hg by Materials Project

description: Hg crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional and consists of one Hg ribbon oriented in the (0, 0, 1) direction and one Hg framework. In the Hg ribbon, Hg is bonded in a linear geometry to two equivalent Hg atoms. Both Hg–Hg bond lengths are 3.29 Å. In the Hg framework, Hg is bonded to five equivalent Hg atoms to form a mixture of edge and corner-sharing HgHg5 trigonal bipyramids. There are three shorter (3.21 Å) and two longer (3.29 Å) Hg–Hg bond lengths.
DOI: 10.17188/1187407
title: Materials Data on Ho2Ge6Pd by Materials Project

description: Ho2PdGe6 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded in a 8-coordinate geometry to four equivalent Pd and ten Ge atoms. All Ho–Pd bond lengths are 3.15 Å. There are a spread of Ho–Ge bond distances ranging from 3.09–3.45 Å. In the second Ho site, Ho is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of Ho–Ge bond distances ranging from 2.98–3.14 Å. Pd is bonded in a 9-coordinate geometry to four equivalent Ho and five Ge atoms. There are a spread of Pd–Ge bond distances ranging from 2.43–2.51 Å. There are six inequivalent Ge sites. In the first Ge site, Ge is bonded in a 3-coordinate geometry to two equivalent Ho, two equivalent Pd, and five Ge atoms. There are one shorter (2.51 Å) and four longer (2.87 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 7-coordinate geometry to two equivalent Ho and five Ge atoms. All Ge–Ge bond lengths are 2.87 Å. In the third Ge site, Ge is bonded in a 1-coordinate geometry to six Ho, one Pd, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.57 Å. In the fourth Ge site, Ge is bonded in a 3-coordinate geometry to two equivalent Ho, two equivalent Pd, and five Ge atoms. The Ge–Ge bond length is 2.51 Å. In the fifth Ge site, Ge is bonded in a 7-coordinate geometry to two equivalent Ho and five Ge atoms. In the sixth Ge site, Ge is bonded in a 8-coordinate geometry to six Ho and two equivalent Ge atoms.
DOI: 10.17188/1187408
title: Materials Data on Li4Yb5Ge4 by Materials Project

description: Li4Yb5Ge4 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. Li is bonded in a 3-coordinate geometry to three equivalent Ge atoms. There are two shorter (2.70 Å) and one longer (2.86 Å) Li–Ge bond lengths. There are two inequivalent Yb sites. In the first Yb site, Yb is bonded in a 5-coordinate geometry to five equivalent Ge atoms. There are a spread of Yb–Ge bond distances ranging from 3.09–3.15 Å. In the second Yb site, Yb is bonded in a square co-planar geometry to four equivalent Ge atoms. All Yb–Ge bond lengths are 3.17 Å. Ge is bonded in a 9-coordinate geometry to three equivalent Li and six Yb atoms.
DOI: 10.17188/1187409
title: Materials Data on Np(GePd)2 by Materials Project

description: Np(PdGe)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Np is bonded in a 8-coordinate geometry to eight equivalent Pd and eight equivalent Ge atoms. All Np–Pd bond lengths are 3.38 Å. All Np–Ge bond lengths are 3.21 Å. Pd is bonded to four equivalent Np and four equivalent Ge atoms to form a mixture of distorted corner, edge, and face-sharing PdNp4Ge4 tetrahedra. All Pd–Ge bond lengths are 2.53 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Np, four equivalent Pd, and one Ge atom. The Ge–Ge bond length is 2.45 Å.
DOI: 10.17188/1187410
title: Materials Data on PrPPd by Materials Project

description: PrPdP is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pr is bonded to six equivalent Pd and six equivalent P atoms to form a mixture of edge and face-sharing PrP6Pd6 cuboctahedra. All Pr–Pd bond lengths are 3.16 Å. All Pr–P bond lengths are 3.16 Å. Pd is bonded in a 9-coordinate geometry to six equivalent Pr and three equivalent P atoms. All Pd–P bond lengths are 2.46 Å. P is bonded in a 9-coordinate geometry to six equivalent Pr and three equivalent Pd atoms.
DOI: 10.17188/1187411
title: Materials Data on SmPPd by Materials Project

description: SmPdP is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sm is bonded to six equivalent Pd and six equivalent P atoms to form a mixture of edge and face-sharing SmP6Pd6 cuboctahedra. All Sm–Pd bond lengths are 3.11 Å. All Sm–P bond lengths are 3.11 Å. Pd is bonded in a 9-coordinate geometry to six equivalent Sm and three equivalent P atoms. All Pd–P bond lengths are 2.44 Å. P is bonded in a 9-coordinate geometry to six equivalent Sm and three equivalent Pd atoms.
DOI: 10.17188/1187412
title: Materials Data on S by Materials Project

description: S is alpha Po structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. S is bonded to six equivalent S atoms to form a mixture of edge and corner-sharing SS6 octahedra. The corner-sharing octahedral tilt angles are 0°. All S–S bond lengths are 2.58 Å.
DOI: 10.17188/1187413
title: Materials Data on SrS by Materials Project

description: SrS is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sr2+ is bonded to six equivalent S2- atoms to form a mixture of corner and edge-sharing SrS6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Sr–S bond lengths are 3.03 Å. S2- is bonded to six equivalent Sr2+ atoms to form a mixture of corner and edge-sharing SSr6 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1187414
title: Materials Data on Zr5ZnSb3 by Materials Project

description: Zr5ZnSb3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded to two equivalent Zn and five equivalent Sb atoms to form a mixture of distorted edge, face, and corner-sharing ZrZn2Sb5 pentagonal bipyramids. Both Zr–Zn bond lengths are 2.76 Å. There are a spread of Zr–Sb bond distances ranging from 2.97–3.11 Å. In the second Zr site, Zr is bonded in a 6-coordinate geometry to six equivalent Sb atoms. All Zr–Sb bond lengths are 3.07 Å. Zn is bonded to six equivalent Zr atoms to form distorted face-sharing ZnZr6 octahedra. Sb is bonded in a 9-coordinate geometry to nine Zr atoms.
DOI: 10.17188/1187415
title: Materials Data on AlAu by Materials Project

description: AuAl is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Au is bonded in a body-centered cubic geometry to eight equivalent Al atoms. All Au–Al bond lengths are 2.79 Å. Al is bonded in a body-centered cubic geometry to eight equivalent Au atoms.
DOI: 10.17188/1187416
title: Materials Data on HfAlAu2 by Materials Project

description: HfAu2Al is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Hf is bonded in a body-centered cubic geometry to eight equivalent Au atoms. All Hf–Au bond lengths are 2.87 Å. Au is bonded in a body-centered cubic geometry to four equivalent Hf and four equivalent Al atoms. All Au–Al bond lengths are 2.87 Å. Al is bonded in a body-centered cubic geometry to eight equivalent Au atoms.
DOI: 10.17188/1187417
title: Materials Data on ScAlAu2 by Materials Project

description: ScAu2Al is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sc is bonded in a body-centered cubic geometry to eight equivalent Au atoms. All Sc–Au bond lengths are 2.86 Å. Au is bonded in a body-centered cubic geometry to four equivalent Sc and four equivalent Al atoms. All Au–Al bond lengths are 2.86 Å. Al is bonded in a body-centered cubic geometry to eight equivalent Au atoms.
DOI: 10.17188/1187418
title: Materials Data on Ca3Al7Cu2 by Materials Project

description: Ca3Cu2Al7 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Ca sites. In the first Ca site, Ca is bonded in a 6-coordinate geometry to six equivalent Cu and twelve equivalent Al atoms. All Ca–Cu bond lengths are 3.22 Å. All Ca–Al bond lengths are 3.43 Å. In the second Ca site, Ca is bonded in a 12-coordinate geometry to twelve Al atoms. There are a spread of Ca–Al bond distances ranging from 3.26–3.32 Å. Cu is bonded in a 9-coordinate geometry to three equivalent Ca and six equivalent Al atoms. There are three shorter (2.54 Å) and three longer (2.59 Å) Cu–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded to six equivalent Ca and six equivalent Al atoms to form AlCa6Al6 cuboctahedra that share corners with twelve equivalent AlCa5Al5Cu2 cuboctahedra, edges with six equivalent AlCa6Al6 cuboctahedra, and faces with eighteen equivalent AlCa5Al5Cu2 cuboctahedra. All Al–Al bond lengths are 2.82 Å. In the second Al site, Al is bonded to five Ca, two equivalent Cu, and five Al atoms to form distorted AlCa5Al5Cu2 cuboctahedra that share corners with seventeen AlCa6Al6 cuboctahedra, edges with eight equivalent AlCa5Al5Cu2 cuboctahedra, and faces with fourteen AlCa6Al6 cuboctahedra. There are two shorter (2.75 Å) and two longer (2.83 Å) Al–Al bond lengths.
DOI: 10.17188/1187419
title: Materials Data on Ca(Al2Cu)4 by Materials Project

description: Ca(CuAl2)4 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ca is bonded in a 12-coordinate geometry to eight equivalent Cu and twelve Al atoms. All Ca–Cu bond lengths are 3.39 Å. There are four shorter (3.09 Å) and eight longer (3.22 Å) Ca–Al bond lengths. Cu is bonded to two equivalent Ca, two equivalent Cu, and eight Al atoms to form a mixture of distorted edge, face, and corner-sharing CuCa2Al8Cu2 cuboctahedra. Both Cu–Cu bond lengths are 2.56 Å. There are four shorter (2.57 Å) and four longer (2.70 Å) Cu–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to one Ca, four equivalent Cu, and five Al atoms. There are a spread of Al–Al bond distances ranging from 2.68–2.82 Å. In the second Al site, Al is bonded in a 12-coordinate geometry to two equivalent Ca, four equivalent Cu, and six Al atoms. Both Al–Al bond lengths are 2.76 Å.
DOI: 10.17188/1187420
title: Materials Data on Ca(MnAl2)4 by Materials Project

description: Ca(MnAl2)4 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ca is bonded in a 4-coordinate geometry to eight equivalent Mn and twelve Al atoms. All Ca–Mn bond lengths are 3.36 Å. There are four shorter (2.92 Å) and eight longer (3.28 Å) Ca–Al bond lengths. Mn is bonded to two equivalent Ca, two equivalent Mn, and eight Al atoms to form distorted MnCa2Mn2Al8 cuboctahedra that share corners with eight equivalent AlCa2Mn4Al6 cuboctahedra, corners with ten equivalent MnCa2Mn2Al8 cuboctahedra, edges with four equivalent MnCa2Mn2Al8 cuboctahedra, edges with four equivalent AlCa2Mn4Al6 cuboctahedra, faces with six equivalent MnCa2Mn2Al8 cuboctahedra, and faces with eight equivalent AlCa2Mn4Al6 cuboctahedra. Both Mn–Mn bond lengths are 2.59 Å. There are four shorter (2.55 Å) and four longer (2.65 Å) Mn–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded to two equivalent Ca, four equivalent Mn, and six Al atoms to form distorted AlCa2Mn4Al6 cuboctahedra that share corners with eight equivalent MnCa2Mn2Al8 cuboctahedra, corners with ten equivalent AlCa2Mn4Al6 cuboctahedra, edges with three equivalent AlCa2Mn4Al6 cuboctahedra, edges with four equivalent MnCa2Mn2Al8 cuboctahedra, faces with seven equivalent AlCa2Mn4Al6 cuboctahedra, and faces with eight equivalent MnCa2Mn2Al8 cuboctahedra. There are a spread of Al–Al bond distances ranging from 2.75–2.83 Å. In the second Al site, Al is bonded in a 10-coordinate geometry to one Ca, four equivalent Mn, and five Al atoms. The Al–Al bond length is 2.92 Å.
DOI: 10.6084/m9.figshare.13656248
title: Supplementary Material for: Quantification of Posterior Risk Related to Intrapartum FIGO 2015 Criteria for Cardiotocography in the Second Stage of Labor

description: <b><i>Introduction:</i></b> Intrapartum cardiotocography (CTG) was used for several decades to detect a stressed fetus so that delivery can be expedited to prevent birth asphyxia. The main aim of the study was to calculate the risk of neonatal acidemia (pH ≤ 7.10) according to duration of the 2nd stage of labor and occurrence of the International Federation of Gynecology and Obstetrics (FIGO) 2015 CTG classification parameters. <b><i>Materials and Methods:</i></b> This was a retrospective case-control study on 552 pregnancies receiving continuous CTG monitoring in labor and immediate hemogasanalysis at birth. Cases with umbilical artery (UA) pH ≤ 7.10 and controls with UA pH ≥ 7.10 were matched for parity and gestational age at delivery, with ratio 1:5. Logistic regression analysis, adjusted for the expected risk in the general population, was used to calculate the baseline risk of UA pH ≤ 7.10 in the absence of any CTG pathological feature and those associated with pathological CTG patterns occurring in the 2nd stage according to FIGO 2015. <b><i>Results:</i></b> Seventy-three cases and 387 controls reached 2nd stage and were included in the analysis. For those reaching 2nd stage, the mean adjusted risk of acidemia associated with nonpathological CTG was 1.6%. Stratification of risk according to duration of the 2nd stage yielded risks of neonatal acidemia of 1.23, 2.08, 5.81, and 15.22% at 30, 60, 120, and 180 min, respectively. Bradycardia &gt;10 min was associated with risk of neonatal acidemia of 9.9 and 15.8% for 2nd-stage durations of 30 and 60 min, respectively. Risks associated with 1 prolonged deceleration &gt;5 min were 6.80, 11.08, 27.0, and 51.0% at 30, 60, 120, and 180 min, respectively. Repetitive late or prolonged decelerations &gt;30 min were associated with risk of neonatal acidemia of 2.43, 4.14, 11.17, and 26.45% at 30, 60, 120, and 180 min, respectively. <b><i>Conclusion:</i></b> The risk of neonatal acidemia is directly proportional to duration of the 2nd stage, irrespective of the presence of CTG abnormalities, increasing 12-fold (1.2–15.3%) from 30 to 180 min. Occurrence of FIGO 2015 pathological CTG patterns showed a decreasing impact from bradycardia &gt;10 min to decelerations &gt;5 min, recurrent later or prolonged decelerations &gt;30 min, and nonpathological CTG.
DOI: 10.17188/1187421
title: Materials Data on CeAl by Materials Project

description: CeAl is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ce is bonded in a body-centered cubic geometry to eight equivalent Al atoms. All Ce–Al bond lengths are 3.18 Å. Al is bonded in a body-centered cubic geometry to eight equivalent Ce atoms.
DOI: 10.17188/1187422
title: Materials Data on YbGa4 by Materials Project

description: YbGa4 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Yb is bonded in a 8-coordinate geometry to sixteen Ga atoms. There are eight shorter (3.31 Å) and eight longer (3.45 Å) Yb–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to four equivalent Yb and five Ga atoms. There are one shorter (2.45 Å) and four longer (2.61 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded to four equivalent Yb and eight Ga atoms to form a mixture of distorted face, edge, and corner-sharing GaYb4Ga8 cuboctahedra. All Ga–Ga bond lengths are 3.07 Å.
DOI: 10.17188/1187423
title: Materials Data on Ce3AlN by Materials Project

description: Ce3AlN is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ce is bonded in a linear geometry to four equivalent Al and two equivalent N atoms. All Ce–Al bond lengths are 3.44 Å. Both Ce–N bond lengths are 2.43 Å. Al is bonded to twelve equivalent Ce atoms to form AlCe12 cuboctahedra that share corners with twelve equivalent AlCe12 cuboctahedra, faces with six equivalent AlCe12 cuboctahedra, and faces with eight equivalent NCe6 octahedra. N is bonded to six equivalent Ce atoms to form NCe6 octahedra that share corners with six equivalent NCe6 octahedra and faces with eight equivalent AlCe12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1187424
title: Materials Data on AlCrCo2 by Materials Project

description: Co2CrAl is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cr is bonded in a body-centered cubic geometry to eight equivalent Co atoms. All Cr–Co bond lengths are 2.47 Å. Co is bonded in a body-centered cubic geometry to four equivalent Cr and four equivalent Al atoms. All Co–Al bond lengths are 2.47 Å. Al is bonded in a body-centered cubic geometry to eight equivalent Co atoms.
DOI: 10.17188/1187425
title: Materials Data on AlFeCo2 by Materials Project

description: Co2FeAl is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Fe is bonded in a distorted body-centered cubic geometry to eight equivalent Co and six equivalent Al atoms. All Fe–Co bond lengths are 2.47 Å. All Fe–Al bond lengths are 2.85 Å. Co is bonded in a body-centered cubic geometry to four equivalent Fe and four equivalent Al atoms. All Co–Al bond lengths are 2.47 Å. Al is bonded in a distorted body-centered cubic geometry to six equivalent Fe and eight equivalent Co atoms.
DOI: 10.17188/1187426
title: Materials Data on AlCrNi2 by Materials Project

description: CrNi2Al is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cr is bonded in a body-centered cubic geometry to eight equivalent Ni atoms. All Cr–Ni bond lengths are 2.51 Å. Ni is bonded in a body-centered cubic geometry to four equivalent Cr and four equivalent Al atoms. All Ni–Al bond lengths are 2.51 Å. Al is bonded in a body-centered cubic geometry to eight equivalent Ni atoms.
DOI: 10.17188/1187427
title: Materials Data on Al3Cu2 by Materials Project

description: Cu2Al3 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Cu is bonded in a body-centered cubic geometry to eight Al atoms. There are a spread of Cu–Al bond distances ranging from 2.46–2.58 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 6-coordinate geometry to six equivalent Cu atoms. In the second Al site, Al is bonded in a 5-coordinate geometry to five equivalent Cu atoms.
DOI: 10.17188/1187428
title: Materials Data on HfAlCu2 by Materials Project

description: AlCu2Hf is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Hf is bonded in a body-centered cubic geometry to eight equivalent Cu atoms. All Hf–Cu bond lengths are 2.68 Å. Cu is bonded in a body-centered cubic geometry to four equivalent Hf and four equivalent Al atoms. All Cu–Al bond lengths are 2.68 Å. Al is bonded in a distorted body-centered cubic geometry to eight equivalent Cu atoms.
DOI: 10.17188/1187429
title: Materials Data on La3Al by Materials Project

description: AlLa3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. La is bonded to eight equivalent La and four equivalent Al atoms to form distorted LaLa8Al4 cuboctahedra that share corners with twelve equivalent LaLa8Al4 cuboctahedra, edges with eight equivalent AlLa12 cuboctahedra, edges with sixteen equivalent LaLa8Al4 cuboctahedra, faces with four equivalent AlLa12 cuboctahedra, and faces with fourteen equivalent LaLa8Al4 cuboctahedra. All La–La bond lengths are 3.52 Å. All La–Al bond lengths are 3.52 Å. Al is bonded to twelve equivalent La atoms to form AlLa12 cuboctahedra that share corners with twelve equivalent AlLa12 cuboctahedra, edges with twenty-four equivalent LaLa8Al4 cuboctahedra, faces with six equivalent AlLa12 cuboctahedra, and faces with twelve equivalent LaLa8Al4 cuboctahedra.
DOI: 10.17188/1187430
title: Materials Data on TiIr3 by Materials Project

description: Ir3Ti is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ti is bonded to twelve equivalent Ir atoms to form TiIr12 cuboctahedra that share corners with twelve equivalent TiIr12 cuboctahedra, edges with twenty-four equivalent IrTi4Ir8 cuboctahedra, faces with six equivalent TiIr12 cuboctahedra, and faces with twelve equivalent IrTi4Ir8 cuboctahedra. All Ti–Ir bond lengths are 2.74 Å. Ir is bonded to four equivalent Ti and eight equivalent Ir atoms to form distorted IrTi4Ir8 cuboctahedra that share corners with twelve equivalent IrTi4Ir8 cuboctahedra, edges with eight equivalent TiIr12 cuboctahedra, edges with sixteen equivalent IrTi4Ir8 cuboctahedra, faces with four equivalent TiIr12 cuboctahedra, and faces with fourteen equivalent IrTi4Ir8 cuboctahedra. All Ir–Ir bond lengths are 2.74 Å.
DOI: 10.17188/1187431
title: Materials Data on LiAl3 by Materials Project

description: Al3Li is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Li is bonded to twelve equivalent Al atoms to form LiAl12 cuboctahedra that share corners with twelve equivalent LiAl12 cuboctahedra, edges with twenty-four equivalent AlLi4Al8 cuboctahedra, faces with six equivalent LiAl12 cuboctahedra, and faces with twelve equivalent AlLi4Al8 cuboctahedra. All Li–Al bond lengths are 2.85 Å. Al is bonded to four equivalent Li and eight equivalent Al atoms to form distorted AlLi4Al8 cuboctahedra that share corners with twelve equivalent AlLi4Al8 cuboctahedra, edges with eight equivalent LiAl12 cuboctahedra, edges with sixteen equivalent AlLi4Al8 cuboctahedra, faces with four equivalent LiAl12 cuboctahedra, and faces with fourteen equivalent AlLi4Al8 cuboctahedra. All Al–Al bond lengths are 2.85 Å.
DOI: 10.17188/1187432
title: Materials Data on MnAlPd2 by Materials Project

description: Pd2MnAl is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mn is bonded in a body-centered cubic geometry to eight equivalent Pd atoms. All Mn–Pd bond lengths are 2.68 Å. Pd is bonded in a body-centered cubic geometry to four equivalent Mn and four equivalent Al atoms. All Pd–Al bond lengths are 2.68 Å. Al is bonded in a body-centered cubic geometry to eight equivalent Pd atoms.
DOI: 10.17188/1187433
title: Materials Data on MnAlPt by Materials Project

description: MnPtAl crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mn is bonded in a 6-coordinate geometry to two equivalent Mn, six equivalent Pt, and six equivalent Al atoms. Both Mn–Mn bond lengths are 2.73 Å. All Mn–Pt bond lengths are 2.85 Å. All Mn–Al bond lengths are 2.85 Å. Pt is bonded in a 11-coordinate geometry to six equivalent Mn and five equivalent Al atoms. There are three shorter (2.51 Å) and two longer (2.73 Å) Pt–Al bond lengths. Al is bonded to six equivalent Mn and five equivalent Pt atoms to form a mixture of distorted face and corner-sharing AlMn6Pt5 trigonal bipyramids.
DOI: 10.17188/1187434
title: Materials Data on MnAlPt2 by Materials Project

description: MnPt2Al is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mn is bonded in a body-centered cubic geometry to eight equivalent Pt atoms. All Mn–Pt bond lengths are 2.69 Å. Pt is bonded in a body-centered cubic geometry to four equivalent Mn and four equivalent Al atoms. All Pt–Al bond lengths are 2.69 Å. Al is bonded in a body-centered cubic geometry to eight equivalent Pt atoms.