# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-05-01T01:07:06+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 'Energy Environ. Sci.') AND volume = 9 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
"1540533","10.4376","0.0008","5.7148","0.0004","15.9916","0.0011","90","","102.543","0.002","90","","931.11","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 N4 O6 U -","- C16 H22 N4 O6 U -","- C32 H44 N8 O12 U2 -","2","0.5","","Abney, C. W.; Mayes, R. T.; Piechowicz, M.; Lin, Z.; Bryantsev, V. S.; Veith, G. M.; Dai, S.; Lin, W.","XAFS investigation of polyamidoxime-bound uranyl contests the paradigm from small molecule studies","Energy Environ. Sci.","2016","9","2","448","","10.1039/C5EE02913A","","","0.71073","MoKα","","0.0613","0.0288","","","0.0485","0.055","","","","","","1.043","","","","has coordinates","177877","2020-10-21","18:00:00",""
"1540676","19.866","0.004","20.099","0.004","13.362","0.003","90","","90.6","0.03","90","","5335","1.9","298","2","298","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","Slicalite-1","","","- O48 Si24 -","- O48 Si24 -","- O192 Si96 -","4","1","","Pham, Tung Cao Thanh; Docao, Son; Hwang, In Chul; Song, Mee Kyung; Choi, Do Young; Moon, Dohyun; Oleynikov, Peter; Yoon, Kyung Byung","Capture of iodine and organic iodides using silica zeolites and the semiconductor behaviour of iodine in a silica zeolite","Energy Environ. Sci.","2016","9","3","1050","","10.1039/C5EE02843D","","","0.66999","synchrotron","","0.1206","0.1053","","","0.2917","0.3011","","","","","","1.15","","","","has coordinates","181746","2020-10-21","18:00:00",""
"1540677","20.1","0.004","19.912","0.004","13.386","0.003","90","","90","","90","","5357.5","1.9","296","2","296","2","","","","","","","","3","P n m a","-P 2ac 2n","62","I2@SL-1","Iodine silicalite-1","","- I24 O192 Si96 -","- I23.9872 O192 Si96 -","- I23.9872 O192 Si96 -","1","0.125","","Pham, Tung Cao Thanh; Docao, Son; Hwang, In Chul; Song, Mee Kyung; Choi, Do Young; Moon, Dohyun; Oleynikov, Peter; Yoon, Kyung Byung","Capture of iodine and organic iodides using silica zeolites and the semiconductor behaviour of iodine in a silica zeolite","Energy Environ. Sci.","2016","9","3","1050","","10.1039/C5EE02843D","","","0.67","synchrotron","","0.0926","0.0616","","","0.1559","0.1716","","","","","","1.027","","","","has coordinates,has disorder","181746","2020-10-21","18:00:00",""
"1540678","13.354","0.003","20.087","0.004","19.868","0.004","90","","90.72","0.03","90","","5329","1.9","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","I2@SL-1","Iodine Silicalte-1","","- I24 O192 Si96 -","- I24 O192 Si96 -","- I24 O192 Si96 -","1","0.25","","Pham, Tung Cao Thanh; Docao, Son; Hwang, In Chul; Song, Mee Kyung; Choi, Do Young; Moon, Dohyun; Oleynikov, Peter; Yoon, Kyung Byung","Capture of iodine and organic iodides using silica zeolites and the semiconductor behaviour of iodine in a silica zeolite","Energy Environ. Sci.","2016","9","3","1050","","10.1039/C5EE02843D","","","0.7","synchrotron","","0.1354","0.1293","","","0.3674","0.372","","","","","","1.039","","","","has coordinates,has disorder","181746","2020-10-21","18:00:00",""
"1540679","13.347","0.003","20.082","0.004","19.827","0.004","90","","90.84","0.03","90","","5313.7","1.9","150","2","150","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","Silicalite-1","Silicalite-1","","- O192 Si96 -","- O192 Si96 -","- O192 Si96 -","1","0.25","","Pham, Tung Cao Thanh; Docao, Son; Hwang, In Chul; Song, Mee Kyung; Choi, Do Young; Moon, Dohyun; Oleynikov, Peter; Yoon, Kyung Byung","Capture of iodine and organic iodides using silica zeolites and the semiconductor behaviour of iodine in a silica zeolite","Energy Environ. Sci.","2016","9","3","1050","","10.1039/C5EE02843D","","","0.7","synchrotron","","0.1273","0.1199","","","0.3915","0.3963","","","","","","1.135","","","","has coordinates","181746","2020-10-21","18:00:00",""
"1540702","7.7728","0.0004","8.7954","0.0006","13.4794","0.0007","81.826","0.004","79.433","0.003","64.156","0.002","813.27","0.08","90","2","90","2","","","","","","","","6","P -1","-P 1","2","In(DMSO)3Cl3","trichlorotris(dimethyl sulfoxide)indium(III)","","- C6 H18 Cl3 In O3 S3 -","- C6 H18 Cl3 In O3 S3 -","- C12 H36 Cl6 In2 O6 S6 -","2","1","","Uhl, A. R.; Katahara, J. K.; Hillhouse, H. W.","Molecular-ink route to 13.0% efficient low-bandgap CuIn(S,Se)2and 14.7% efficient Cu(In,Ga)(S,Se)2solar cells","Energy Environ. Sci.","2016","9","1","130","","10.1039/C5EE02870A","","","0.71073","MoKα","","0.0461","0.0348","","","0.0684","0.0715","","","","","","1.07","","","","has coordinates","176119","2020-10-21","18:00:00",""
"1540724","9.43","0.0019","4.738","0.0009","18.556","0.004","90","","91.27","0.03","90","","828.9","0.3","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H24 N4 O4 -","- C15 H24 N4 O4 -","- C30 H48 N8 O8 -","2","1","","Beckmann, Sabrina; Welte, Cornelia; Li, Xiaomin; Oo, Yee M.; Kroeninger, Lena; Heo, Yooun; Zhang, Miaomiao; Ribeiro, Daniela; Lee, Matthew; Bhadbhade, Mohan; Marjo, Christopher E.; Seidel, Jan; Deppenmeier, Uwe; Manefield, Mike","Novel phenazine crystals enable direct electron transfer to methanogens in anaerobic digestion by redox potential modulation","Energy Environ. Sci.","2016","9","2","644","","10.1039/C5EE03085D","","","0.71073","MoKα","","0.2255","0.2218","","","0.4964","0.5053","","","","","","2.728","","","","has coordinates","301779","2025-08-18","16:06:43",""
"1543238","19.217","0.007","3.6996","0.0014","6.529","0.002","90","","109.056","0.004","90","","438.7","0.3","100","2","100","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Lithium Tin Sulfide","","- Li5.05 S12 Sn4.74 -","- Li5.046 S12 Sn4.738 -","- Li5.046 S12 Sn4.738 -","1","0.125","","Holzmann, T.; Schoop, L. M.; Ali, M. N.; Moudrakovski, I.; Gregori, G.; Maier, J.; Cava, R. J.; Lotsch, B. V.","Li0.6[Li0.2Sn0.8S2] ‒ a layered lithium superionic conductor","Energy Environ. Sci.","2016","9","8","2578","","10.1039/C6EE00633G","","","0.71073","MoKα","","0.041","0.0241","","","","0.0664","","","","","","1.025","","","","has coordinates","185551","2020-10-21","18:00:00",""
"1543265","12.422","0.004","16.732","0.006","18.496","0.006","106.88","0.005","94.237","0.003","108.521","0.003","3429","2","173.15","","173.15","","","","","","","","","4","P -1","-P 1","2","","compound 2","","- C102.5 H38 O4 S7 -","- C102.5 H38 O4 S7 -","- C205 H76 O8 S14 -","2","1","","Xiao, Zuo; Geng, Xinjian; He, Dan; Jia, Xue; Ding, Liming","Development of isomer-free fullerene bisadducts for efficient polymer solar cells","Energy Environ. Sci.","2016","9","6","2114","","10.1039/C6EE01026A","","","0.71073","MoKα","","0.1248","0.1046","","","0.279","0.2971","","","","","","1.14","","","","has coordinates,has disorder","185550","2020-10-21","18:00:00",""
"1543266","14.1171","0.0005","17.2567","0.0007","18.6353","0.0006","101.068","0.003","102.967","0.003","96.525","0.003","4283.1","0.3","100.03","0.17","100.03","0.17","","","","","","","","3","P -1","-P 1","2","","compound 3","","- C110 H56 O8 -","- C110 H56 O8 -","- C220 H112 O16 -","2","1","","Xiao, Zuo; Geng, Xinjian; He, Dan; Jia, Xue; Ding, Liming","Development of isomer-free fullerene bisadducts for efficient polymer solar cells","Energy Environ. Sci.","2016","9","6","2114","","10.1039/C6EE01026A","","","0.71073","MoKα","","0.1302","0.0745","","","0.2014","0.2242","","","","","","1.023","","","","has coordinates","185550","2020-10-21","18:00:00",""
"1543267","23.316","0.007","10.157","0.003","17.402","0.005","90","","98.718","0.005","90","","4074","2","173.15","","173.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","e-PPMF","","- C77 H16 O2.6 -","- C77 H16 O2.618 -","- C308 H64 O10.472 -","4","1","","Xiao, Zuo; Geng, Xinjian; He, Dan; Jia, Xue; Ding, Liming","Development of isomer-free fullerene bisadducts for efficient polymer solar cells","Energy Environ. Sci.","2016","9","6","2114","","10.1039/C6EE01026A","","","0.71073","MoKα","","0.1307","0.1015","","","0.2375","0.2523","","","","","","1.438","","","","has coordinates,has disorder","185550","2020-10-21","18:00:00",""
"1544063","34.6","0.018","34.6","0.018","34.6","0.018","90","","90","","90","","41422","4","296","2","296","2","","","","","","","","4","I m -3 m","-I 4 2 3","229","","","","- C60 H24 Cu3 O15 -","- C60 H24 Cu3 O15 -","- C480 H192 Cu24 O120 -","8","0.0833333","","Gómez-Gualdrón, Diego A.; Colón, Yamil J.; Zhang, Xu; Wang, Timothy C.; Chen, Yu-Sheng; Hupp, Joseph T.; Yildirim, Taner; Farha, Omar K.; Zhang, Jian; Snurr, Randall Q.","Evaluating topologically diverse metal‒organic frameworks for cryo-adsorbed hydrogen storage","Energy Environ. Sci.","2016","9","10","3279","","10.1039/C6EE02104B","","","0.41328","Synchrotron","","0.0718","0.0608","","","0.2134","0.2237","","","","","","1.118","","","","has coordinates","187151","2020-10-21","18:00:00",""
"1544064","39.618","0.003","39.618","0.003","39.618","0.003","90","","90","","90","","62184","8","296","2","296","2","","","","","","","","4","I m -3 m","-I 4 2 3","229","","","","- C84 H48 Cu3 O15 -","- C84 H48 Cu3 O15 -","- C672 H384 Cu24 O120 -","8","0.0833333","","Gómez-Gualdrón, Diego A.; Colón, Yamil J.; Zhang, Xu; Wang, Timothy C.; Chen, Yu-Sheng; Hupp, Joseph T.; Yildirim, Taner; Farha, Omar K.; Zhang, Jian; Snurr, Randall Q.","Evaluating topologically diverse metal‒organic frameworks for cryo-adsorbed hydrogen storage","Energy Environ. Sci.","2016","9","10","3279","","10.1039/C6EE02104B","","","0.4428","Synchrotron","","0.153","0.1388","","","0.349","0.3607","","","","","","1.134","","","","has coordinates","187151","2020-10-21","18:00:00",""
"1544065","46.744","0.003","46.744","0.003","46.744","0.003","90","","90","","90","","102136","11","296","2","296","2","","","","","","","","4","I m -3 m","-I 4 2 3","229","","","","- C96 H48 Cu3 O15 -","- C96 H48 Cu3 O15 -","- C768 H384 Cu24 O120 -","8","0.0833333","","Gómez-Gualdrón, Diego A.; Colón, Yamil J.; Zhang, Xu; Wang, Timothy C.; Chen, Yu-Sheng; Hupp, Joseph T.; Yildirim, Taner; Farha, Omar K.; Zhang, Jian; Snurr, Randall Q.","Evaluating topologically diverse metal‒organic frameworks for cryo-adsorbed hydrogen storage","Energy Environ. Sci.","2016","9","10","3279","","10.1039/C6EE02104B","","","0.41328","Synchrotron","","0.1726","0.0981","","","0.2874","0.3556","","","","","","1.147","","","","has coordinates","187151","2020-10-21","18:00:00",""
"1544139","7.1696","0.0001","17.3429","0.0004","11.1994","0.0002","90","","106.232","0.001","90","","1337.04","0.04","90","0.2","90","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H13 B F4 N S -","- C14 H13 B F4 N S -","- C56 H52 B4 F16 N4 S4 -","4","1","","Milshtein, Jarrod D.; Kaur, Aman Preet; Casselman, Matthew D.; Kowalski, Jeffrey A.; Modekrutti, Subrahmanyam; Zhang, Peter L.; Harsha Attanayake, N.; Elliott, Corrine F.; Parkin, Sean R.; Risko, Chad; Brushett, Fikile R.; Odom, Susan A.","High current density, long duration cycling of soluble organic active species for non-aqueous redox flow batteries","Energy Environ. Sci.","2016","9","11","3531","","10.1039/C6EE02027E","","","1.54178","CuKα","","0.0542","0.0491","","","0.163","0.1731","","","","","","1.11","","","","has coordinates","188249","2020-10-21","18:00:00",""
"1544140","6.8493","0.0002","10.8341","0.0003","19.2816","0.0004","90","","90.004","0.002","90","","1430.81","0.06","90","0.2","90","0.2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 B F4 N O S -","- C15 H15 B F4 N O S -","- C60 H60 B4 F16 N4 O4 S4 -","4","1","","Milshtein, Jarrod D.; Kaur, Aman Preet; Casselman, Matthew D.; Kowalski, Jeffrey A.; Modekrutti, Subrahmanyam; Zhang, Peter L.; Harsha Attanayake, N.; Elliott, Corrine F.; Parkin, Sean R.; Risko, Chad; Brushett, Fikile R.; Odom, Susan A.","High current density, long duration cycling of soluble organic active species for non-aqueous redox flow batteries","Energy Environ. Sci.","2016","9","11","3531","","10.1039/C6EE02027E","","","1.54178","CuKα","","0.0602","0.0487","","","0.1226","0.1313","","","","","","1.026","","","","has coordinates","188249","2020-10-21","18:00:00",""
"1544141","8.7624","0.0018","7.6786","0.0015","19.134","0.004","90","","99.37","0.03","90","","1270.2","0.5","90","0.2","90","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 N O S -","- C15 H15 N O S -","- C60 H60 N4 O4 S4 -","4","1","","Milshtein, Jarrod D.; Kaur, Aman Preet; Casselman, Matthew D.; Kowalski, Jeffrey A.; Modekrutti, Subrahmanyam; Zhang, Peter L.; Harsha Attanayake, N.; Elliott, Corrine F.; Parkin, Sean R.; Risko, Chad; Brushett, Fikile R.; Odom, Susan A.","High current density, long duration cycling of soluble organic active species for non-aqueous redox flow batteries","Energy Environ. Sci.","2016","9","11","3531","","10.1039/C6EE02027E","","","0.71073","MoKα","","0.0546","0.0432","","","0.113","0.1197","","","","","","1.105","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544142","7.0364","0.0001","12.4613","0.0002","19.4044","0.0003","90","","98.2495","0.0008","90","","1683.82","0.04","90","0.2","90","0.2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 B F4 N O2 S -","- C17 H19 B F4 N O2 S -","- C68 H76 B4 F16 N4 O8 S4 -","4","1","","Milshtein, Jarrod D.; Kaur, Aman Preet; Casselman, Matthew D.; Kowalski, Jeffrey A.; Modekrutti, Subrahmanyam; Zhang, Peter L.; Harsha Attanayake, N.; Elliott, Corrine F.; Parkin, Sean R.; Risko, Chad; Brushett, Fikile R.; Odom, Susan A.","High current density, long duration cycling of soluble organic active species for non-aqueous redox flow batteries","Energy Environ. Sci.","2016","9","11","3531","","10.1039/C6EE02027E","","","0.71073","MoKα","","0.0423","0.0357","","","0.0917","0.0959","","","","","","1.054","","","","has coordinates","188249","2020-10-21","18:00:00",""