# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-06-29T08:01:48+02:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'ACS Applied Energy Materials') AND volume = 1 AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"4515258","11.115","0.003","13.164","0.004","16.625","0.005","90","","94.204","0.007","90","","2426","1.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H24 Al0.57 Ga0.43 N3 O4 -","- C29 H24 Al0.567 Ga0.433 N3 O4 -","- C116 H96 Al2.268 Ga1.732 N12 O16 -","4","1","","Dai, Chenghu; Wei, Zhixian; Chen, Zhen; Yan, Xueyu; Fan, Jihui; Yang, Yiying; Pang, Zhiyong; Han, Shenghao","Homogeneous Alloy-like Organic Single Crystals Based on Nonplanar 8-Hydroxyquinoline Metallic Complexes: A Novel Pathway to Supramolecular Crystals with an Arbitrarily Adjustable Stoichiometric Ratio","ACS Applied Energy Materials","2018","1","8","4367","","10.1021/acsaem.8b00996","","","0.71073","MoKα","","0.0869","0.0514","","","0.122","0.1538","","","","","","1.027","","","","has coordinates,has disorder","225425","2020-10-21","18:00:00",""
"4515259","8.3965","0.0016","9.4271","0.0019","15.415","0.003","73.805","0.005","77.853","0.005","75.274","0.005","1120.4","0.4","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","5-(3,5,6-tris(1H-tetrazol-5-yl)pyrazin-2-yl)-1H-tetrazol-4-ium hydroxonium bis(hydrogen sulfate) trihydrate","","- C8 H16 N18 O12 S2 -","- C8 H16 N18 O12 S2 -","- C16 H32 N36 O24 S4 -","2","1","","Witkowski, Tomasz G.; Sebastiao, Elena; Gabidullin, Bulat; Hu, Anguang; Zhang, Fan; Murugesu, Muralee","2,3,5,6-Tetra(1H-tetrazol-5-yl)pyrazine: A Thermally Stable Nitrogen-Rich Energetic Material","ACS Applied Energy Materials","2018","1","2","589","","10.1021/acsaem.7b00138","","","0.71073","MoKα","","0.1412","0.0529","","","0.1133","0.15","","","","","","0.985","","","","has coordinates,has disorder","301843","2025-08-21","01:58:45",""
"4515260","14.614","0.011","6.058","0.004","14.036","0.01","90","","92.05","0.011","90","","1241.8","1.5","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,3,5,6-tetra(1H-tetrazol-5-yl)pyrazine bis tetrahydrofuran solvate dihydrate","","- C16 H24 N18 O4 -","- C16 H24 N18 O4 -","- C32 H48 N36 O8 -","2","0.5","","Witkowski, Tomasz G.; Sebastiao, Elena; Gabidullin, Bulat; Hu, Anguang; Zhang, Fan; Murugesu, Muralee","2,3,5,6-Tetra(1H-tetrazol-5-yl)pyrazine: A Thermally Stable Nitrogen-Rich Energetic Material","ACS Applied Energy Materials","2018","1","2","589","","10.1021/acsaem.7b00138","","","0.71073","MoKα","","0.0949","0.0618","","","0.1618","0.1828","","","","","","1.039","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515261","20.4309","0.0005","7.7088","0.0002","13.2611","0.0004","90","","90","","90","","2088.59","0.1","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C3 H15 Bi2 Cl9 N3 -","- C3 H15 Bi2 Cl9 N3 -","- C12 H60 Bi8 Cl36 N12 -","4","0.5","","Ahmad, Khursheed; Ansari, Shagufi Naz; Natarajan, Kaushik; Mobin, Shaikh M.","Design and Synthesis of 1D-Polymeric Chain Based [(CH3NH3)3Bi2Cl9]n Perovskite: A New Light Absorber Material for Lead Free Perovskite Solar Cells","ACS Applied Energy Materials","2018","1","6","2405","","10.1021/acsaem.8b00437","","","0.71073","MoKα","","0.0492","0.0445","","","0.1132","0.1177","","","","","","1.176","","","","has coordinates","225428","2020-10-21","18:00:00",""
"4515262","4.9245","0.0002","10.6166","0.0005","18.9713","0.0008","79.374","0.002","86.96","0.001","84.946","0.002","970.36","0.07","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H20 Co4 O14 -","- C15 H20 Co4 O14 -","- C30 H40 Co8 O28 -","2","1","","Song, Xueling; Peng, Chengdong; Fei, Honghan","Enhanced Electrocatalytic Oxygen Evolution by Exfoliation of a Metal‒Organic Framework Containing Cationic One-Dimensional [Co4(OH)2]6+ Chains","ACS Applied Energy Materials","2018","1","6","2446","","10.1021/acsaem.8b00659","","","0.71073","MoKα","","0.0752","0.0537","","","0.1333","0.1482","","","","","","1.039","","","","has coordinates","225429","2020-10-21","18:00:00",""
"4515263","10.46","0.003","25.154","0.007","15.808","0.004","90","","98.373","0.004","90","","4114.9","1.9","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H50 Ir N5 O11 P2 -","- C38 H40 Ir N5 O11 P2 -","- C152 H160 Ir4 N20 O44 P8 -","4","1","","Kobayashi, Atsushi; Watanabe, Shuhei; Yoshida, Masaki; Kato, Masako","Importance of the Molecular Orientation of an Iridium(III)-Heteroleptic Photosensitizer Immobilized on TiO2 Nanoparticles","ACS Applied Energy Materials","2018","1","6","2882","","10.1021/acsaem.8b00538","","","0.71075","MoKα","","0.0954","0.0799","","","0.1408","0.1486","","","","","","1.196","","","","has coordinates","225430","2020-10-21","18:00:00",""
"4515264","22.777","0.008","22.777","0.008","13.338","0.005","90","","90","","120","","5993","4","296","2","296","2","","","","","","","","7","P 31 2 1","P 31 2""","152","","","","- C36 H43 Mo12 N6 O41 P Zn4 -","- C36 H38 Mo12 N6 O41 P Zn4 -","- C108 H114 Mo36 N18 O123 P3 Zn12 -","3","0.5","","Cheng, Weiwei; Shen, Feng-Cui; Xue, Yun-shan; Luo, Ximing; Fang, Min; Lan, Ya-Qian; Xu, Yan","A Pair of Rare Three-Dimensional Chiral Polyoxometalate-Based Metal‒Organic Framework Enantiomers Featuring Superior Performance as the Anode of Lithium-Ion Battery","ACS Applied Energy Materials","2018","1","9","4931","","10.1021/acsaem.8b00938","","","0.71073","MoKα","","0.054","0.0463","","","0.1402","0.1463","","","","","","1.131","","","","has coordinates","225431","2020-10-21","18:00:00",""
"4515265","22.711","0.003","22.711","0.003","13.3033","0.0019","90","","90","","120","","5942.4","1.4","296","2","296","2","","","","","","","","7","P 32 2 1","P 32 2""","154","","","","- C36 H43 Mo12 N6 O41 P Zn4 -","- C36 H38 Mo12 N6 O41 P Zn4 -","- C108 H114 Mo36 N18 O123 P3 Zn12 -","3","0.5","","Cheng, Weiwei; Shen, Feng-Cui; Xue, Yun-shan; Luo, Ximing; Fang, Min; Lan, Ya-Qian; Xu, Yan","A Pair of Rare Three-Dimensional Chiral Polyoxometalate-Based Metal‒Organic Framework Enantiomers Featuring Superior Performance as the Anode of Lithium-Ion Battery","ACS Applied Energy Materials","2018","1","9","4931","","10.1021/acsaem.8b00938","","","0.71073","MoKα","","0.0813","0.0566","","","0.1549","0.1697","","","","","","1.066","","","","has coordinates","225432","2020-10-21","18:00:00",""
"4515266","12.882","0.004","61.295","0.015","16.037","0.004","90","","106.93","0.004","90","","12114","6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C85 H88 I10 N12 O16 Pb3 -","- C85 H88 I10 N12 O16 Pb3 -","- C340 H352 I40 N48 O64 Pb12 -","4","1","","Li, Xiaomin; Yang, Jin; Song, Ziyi; Chen, Ruiping; Ma, Lulu; Li, Haining; Jia, Jiong; Meng, Jiao; Li, Xuan; Yi, Mingdong; Sun, Xuan","Naphthalene Diimide Ammonium Directed Single-Crystalline Perovskites with “Atypical” Ambipolar Charge Transport Signatures in Two-Dimensional Limit","ACS Applied Energy Materials","2018","1","9","4467","","10.1021/acsaem.8b00988","","","0.71073","MoKα","","0.1167","0.0952","","","0.2633","0.2878","","","","","","1.042","","","","has coordinates","225433","2020-10-21","18:00:00",""
"4515267","11.8505","0.0005","12.9199","0.0006","13.3596","0.0006","90","","110.17","0.001","90","","1920.01","0.15","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 B2 F4 N4 -","- C22 H16 B2 F4 N4 -","- C88 H64 B8 F16 N16 -","4","1","","Golden, Jessica H.; Estergreen, Laura; Porter, Tyler; Tadle, Abegail C.; Sylvinson M. R., Daniel; Facendola, John W.; Kubiak, Clifford P.; Bradforth, Stephen E.; Thompson, Mark E.","Symmetry-Breaking Charge Transfer in Boron Dipyridylmethene (DIPYR) Dimers","ACS Applied Energy Materials","2018","1","3","1083","","10.1021/acsaem.7b00214","","","0.71073","MoKα","","0.0409","0.0365","","","0.102","0.1061","","","","","","1.043","","","","has coordinates","225434","2020-10-21","18:00:00",""
"4515268","27.274","0.005","11.91","0.002","23.368","0.004","90","","115.244","0.011","90","","6866","2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","bis_alpha_DIPYR","","","- C41 H31 B2 F4 N4 -","- C41 H31 B2 F4 N4 -","- C328 H248 B16 F32 N32 -","8","1","","Golden, Jessica H.; Estergreen, Laura; Porter, Tyler; Tadle, Abegail C.; Sylvinson M. R., Daniel; Facendola, John W.; Kubiak, Clifford P.; Bradforth, Stephen E.; Thompson, Mark E.","Symmetry-Breaking Charge Transfer in Boron Dipyridylmethene (DIPYR) Dimers","ACS Applied Energy Materials","2018","1","3","1083","","10.1021/acsaem.7b00214","","","1.54178","CuKα","","0.163","0.1248","","","0.3071","0.3431","","","","","","1.211","","","","has coordinates","225435","2020-10-21","18:00:00",""