电化学储能材料设计平台

电极配位场性质数据库

Atomic No
Symbol
Name
Atomic mass
种类 :  元素: 
Record ID :
Material ID :
Material Formula :
SpaceGroup :
CFS Min(eV) :
CFS Max(eV) :
记录ID 材料ID 种类 化学式 空间群 MCFSS
6b17b635-1c46-4485-ad23-1bab2778fe01 a2cb5c34-dcf2-11ed-a0d3-645d86a63b13 oxide positive electrode LNMO fd-3m -0.691
b5bb16f8-b1a5-4af2-a71d-95e372f3352f a2cae70e-dcf2-11ed-be45-645d86a63b13 oxide positive electrode Li2MnO3 c2/m -0.4
3da727d0-7ae2-4196-9434-4539b813011c a2cbd161-dcf2-11ed-a273-645d86a63b13 oxide coating Li2ZrO3 c2/c 3.165
ebb8f46c-d16c-4b86-938d-fed216f7ad9d a2cbaa57-dcf2-11ed-9c9c-645d86a63b13 oxide coating Li4Ti5O12 fd-3m 3.359
93c1b3ce-73fa-451f-abbf-0dc74d2959ad a2c9d5e0-dcf2-11ed-a785-645d86a63b13 oxide positive electrode LiCoO2 r-3m -0.487
dc7bda10-0f12-4e8a-9f16-41fecd0330cd a2cd587b-dcf2-11ed-9312-645d86a63b13 sulfide positive electrode LiCoS2 p-3m1 -0.266
54d44219-41eb-4905-a2b7-74abe0c3695d a2ccbbbd-dcf2-11ed-b9a7-645d86a63b13 sulfide positive electrode LiCrS2 p-3m1 -0.205
8ecb2fa2-74bc-4b37-8100-8f165cf85c3a a2cdcd7b-dcf2-11ed-ab47-645d86a63b13 sulfide positive electrode LiCuS2 p-3m1 -0.123
e42a45be-d16d-407e-a8e2-255407307c8d a2c9877d-dcf2-11ed-a337-645d86a63b13 oxide positive electrode LiFeO2 r-3m -0.57
f749b5d9-8982-4ea5-b274-ac20555807cc a2cd09e1-dcf2-11ed-b6b1-645d86a63b13 sulfide positive electrode LiFeS2 p-3m1 -0.299
867a7a39-d46c-4795-aadd-c2cecd213236 a2cedebb-dcf2-11ed-bddd-645d86a63b13 sulfide positive electrode LiHfS2 p-3m1 -0.23
281cd6a4-9737-405a-99c1-317d0fd09089 a2cb3521-dcf2-11ed-9c94-645d86a63b13 oxide positive electrode LiMn2O4 fd-3m -0.438
34a92558-e081-48bf-959a-6185f17894e9 a2113b91-dcf2-11ed-a5c7-645d86a63b13 oxide positive electrode LiMnO2 c2/m -0.551
f20f5513-095e-4d40-8493-96b4f27a0514 a2cce2cf-dcf2-11ed-94a9-645d86a63b13 sulfide positive electrode LiMnS2 p-3m1 -0.211
1ee75402-a7af-46f6-8891-f1c9b4f9cf16 a2ce90c4-dcf2-11ed-bdf1-645d86a63b13 sulfide positive electrode LiMoS2 p-3m1 -0.193
33e78f47-3cff-4c17-897d-804eb89ca38f a2cbf87f-dcf2-11ed-bdd8-645d86a63b13 oxide coating LiNbO3 r3c 3.223
01e645b8-82c6-4768-9f22-52710c435557 a2ce69c1-dcf2-11ed-963b-645d86a63b13 sulfide positive electrode LiNbS2 p-3m1 -0.239
a8de2433-cabd-43fe-a7a0-597b059f7361 a2c9fca7-dcf2-11ed-a932-645d86a63b13 oxide positive electrode LiNiO2 c2/m -0.498
3ea1af4e-af35-4777-a455-15e121d74da7 a2cda74f-dcf2-11ed-a0a6-645d86a63b13 sulfide positive electrode LiNiS2 p-3m1 -0.219
6dc17339-6630-4dfb-935f-174684d40998 a2cc1f84-dcf2-11ed-af04-645d86a63b13 oxide coating LiTaO3 r3c 4.113

MCFSS(改进的晶场劈裂强度)是一种用于映射界面电势差的配位场描述符。更多详细信息请参见 https://gitlab.com/shuhebing/MOELD-LLF

电化学储能材料设计平台, 联系邮箱:webmaster@bmaterials.cn 527532650