电极配位场性质数据库
| 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
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