| 选择 | ID | 化学式 | 原始文件名 | 数据集 | 标记摘要 | AutoNEP | NEP_300K | SCREEN |
|---|---|---|---|---|---|---|---|---|
| 17692 | Li16 V12 P16 O60 | mp-773115.cif | mp-Li | - | - | - |
ML:9.425e-05 mS/cm
AutoNEP:-
NEP_300K:-
GII:-
3D 阈值:-
状态:通过
半径:0.821 Å
3D:1.589
Li 位点:7.392
|
|
| 17691 | Li3 Mn3 S6 O24 | mp-773112.cif | mp-Li | - | - | - |
ML:0.009322 mS/cm
AutoNEP:-
NEP_300K:-
GII:-
3D 阈值:-
状态:无法计算
半径:-
3D:-
Li 位点:-
|
|
| 17690 | Li10 V6 P16 O58 | mp-773108.cif | mp-Li | - | - | - |
ML:0.001215 mS/cm
AutoNEP:-
NEP_300K:-
GII:-
3D 阈值:-
状态:通过
半径:0.9215 Å
3D:1.71
Li 位点:6.739
|
|
| 17689 | Li2 Zr7 Fe1 P12 O48 | mp-773105.cif | mp-Li | 势函数可信 | 0.007768 S/cm | 0.8634 mS/cm |
ML:0.04751 mS/cm
AutoNEP:0.007768 S/cm
NEP_300K:0.8634 mS/cm
GII:-
3D 阈值:-
状态:通过
半径:0.8535 Å
3D:1.569
Li 位点:10.91
|
|
| 17688 | K3 Li2 Ta6 P3 O24 | mp-773101.cif | mp-Li | - | - | - |
ML:0.3132 mS/cm
AutoNEP:-
NEP_300K:-
GII:-
3D 阈值:-
状态:通过
半径:0.604 Å
3D:1.969
Li 位点:5.526
|
|
| 17687 | Li4 Mn3 V1 O8 | mp-773098.cif | mp-Li | - | - | - |
ML:3.197e-06 mS/cm
AutoNEP:-
NEP_300K:-
GII:-
3D 阈值:-
状态:未通过
半径:0.571 Å
3D:3.221
Li 位点:2.161
|
|
| 17686 | Li4 V4 P4 O16 | mp-773097.cif | mp-Li | - | - | - |
ML:5.471e-06 mS/cm
AutoNEP:-
NEP_300K:-
GII:-
3D 阈值:-
状态:未通过
半径:0.5965 Å
3D:2.145
Li 位点:1.806
|
|
| 17685 | Li10 V6 P16 O58 | mp-773095.cif | mp-Li | - | - | - |
ML:0.003884 mS/cm
AutoNEP:-
NEP_300K:-
GII:-
3D 阈值:-
状态:通过
半径:0.937 Å
3D:1.647
Li 位点:6.808
|
|
| 17684 | K3 Li2 Nb6 P3 O24 | mp-773089.cif | mp-Li | - | - | - |
ML:0.3805 mS/cm
AutoNEP:-
NEP_300K:-
GII:-
3D 阈值:-
状态:通过
半径:0.6495 Å
3D:1.93
Li 位点:3.879
|
|
| 17683 | Li2 Mg1 Cu2 Si4 O12 | mp-773087.cif | mp-Li | - | - | - |
ML:3.733e-06 mS/cm
AutoNEP:-
NEP_300K:-
GII:-
3D 阈值:-
状态:未通过
半径:0.527 Å
3D:1.465
Li 位点:1.901
|
|
| 17682 | Li8 Mn6 Sb2 O16 | mp-773086.cif | mp-Li | - | - | - |
ML:4.003e-05 mS/cm
AutoNEP:-
NEP_300K:-
GII:-
3D 阈值:-
状态:未通过
半径:0.5865 Å
3D:4.648
Li 位点:2.135
|
|
| 17681 | Li4 Co4 Sb4 O16 | mp-773085.cif | mp-Li | - | - | - |
ML:1.939e-06 mS/cm
AutoNEP:-
NEP_300K:-
GII:-
3D 阈值:-
状态:通过
半径:0.6925 Å
3D:1.878
Li 位点:5.207
|
|
| 17680 | Ba6 Li2 Ti7 Nb9 O42 | mp-773084.cif | mp-Li | - | - | - |
ML:0.522 mS/cm
AutoNEP:-
NEP_300K:-
GII:-
3D 阈值:-
状态:未通过
半径:0.585 Å
3D:6.556
Li 位点:1.844
|
|
| 17679 | Li10 V6 P16 O58 | mp-773083.cif | mp-Li | - | - | - |
ML:0.001134 mS/cm
AutoNEP:-
NEP_300K:-
GII:-
3D 阈值:-
状态:通过
半径:0.907 Å
3D:1.635
Li 位点:8.588
|
|
| 17678 | Li8 V12 Cr4 O32 | mp-773082.cif | mp-Li | - | - | - |
ML:1.255e-05 mS/cm
AutoNEP:-
NEP_300K:-
GII:-
3D 阈值:-
状态:通过
半径:0.6365 Å
3D:1.728
Li 位点:3.484
|
|
| 17677 | Li6 Ti12 Zn6 O32 | mp-773081.cif | mp-Li | - | - | - |
ML:5.767e-09 mS/cm
AutoNEP:-
NEP_300K:-
GII:-
3D 阈值:-
状态:未通过
半径:0.5615 Å
3D:1.353
Li 位点:1.785
|
|
| 17676 | Li7 Ca8 Nb12 O40 | mp-773078.cif | mp-Li | - | - | - |
ML:0.00462 mS/cm
AutoNEP:-
NEP_300K:-
GII:-
3D 阈值:-
状态:通过
半径:0.768 Å
3D:2.713
Li 位点:6.048
|
|
| 17675 | Li8 Co16 O32 | mp-773076.cif | mp-Li | - | - | - |
ML:9.424e-07 mS/cm
AutoNEP:-
NEP_300K:-
GII:-
3D 阈值:-
状态:未通过
半径:0.57 Å
3D:1.757
Li 位点:1.758
|
|
| 17674 | Li8 V8 Si24 O60 | mp-773075.cif | mp-Li | - | - | - |
ML:0.03316 mS/cm
AutoNEP:-
NEP_300K:-
GII:-
3D 阈值:-
状态:通过
半径:0.909 Å
3D:1.622
Li 位点:6.963
|
|
| 17673 | Li2 Zr4 P6 O24 | mp-773074.cif | mp-Li | 势函数可信、对比学习promising | 5.356e-05 S/cm | 0.04036 mS/cm |
ML:0.008334 mS/cm
AutoNEP:5.356e-05 S/cm
NEP_300K:0.04036 mS/cm
GII:-
3D 阈值:-
状态:通过
半径:1.029 Å
3D:1.903
Li 位点:7.086
|
|
| 17672 | Ba8 Li1 Nb7 O24 | mp-773072.cif | mp-Li | - | - | - |
ML:0.03852 mS/cm
AutoNEP:-
NEP_300K:-
GII:-
3D 阈值:-
状态:无法计算
半径:-
3D:-
Li 位点:-
|
|
| 17671 | Li2 Zr4 P6 O24 | mp-773068.cif | mp-Li | - | 3.671e-07 S/cm | 6.228e-08 mS/cm |
ML:0.0077 mS/cm
AutoNEP:3.671e-07 S/cm
NEP_300K:6.228e-08 mS/cm
GII:-
3D 阈值:-
状态:通过
半径:0.981 Å
3D:2.153
Li 位点:7.887
|
|
| 17670 | Li5 V5 Cr2 O12 | mp-773065.cif | mp-Li | - | - | - |
ML:2.305e-04 mS/cm
AutoNEP:-
NEP_300K:-
GII:-
3D 阈值:-
状态:未通过
半径:0.5455 Å
3D:1.953
Li 位点:2.108
|
|
| 17669 | Li8 Mn12 Cu4 O32 | mp-773062.cif | mp-Li | - | - | - |
ML:7.245e-04 mS/cm
AutoNEP:-
NEP_300K:-
GII:-
3D 阈值:-
状态:通过
半径:0.6245 Å
3D:1.7
Li 位点:4.931
|
|
| 17668 | Li12 Mn8 P12 O48 | mp-773057.cif | mp-Li | - | - | - |
ML:0.001985 mS/cm
AutoNEP:-
NEP_300K:-
GII:-
3D 阈值:-
状态:通过
半径:0.6975 Å
3D:1.558
Li 位点:10.8
|
|
| 17667 | Li6 Mg6 Ti12 O32 | mp-773055.cif | mp-Li | - | - | - |
ML:1.787e-08 mS/cm
AutoNEP:-
NEP_300K:-
GII:-
3D 阈值:-
状态:未通过
半径:0.561 Å
3D:1.494
Li 位点:1.799
|
|
| 17666 | Li4 Zr4 P6 O24 | mp-773052.cif | mp-Li | - | 6.212e-07 S/cm | 2.863e-08 mS/cm |
ML:0.00232 mS/cm
AutoNEP:6.212e-07 S/cm
NEP_300K:2.863e-08 mS/cm
GII:-
3D 阈值:-
状态:通过
半径:0.822 Å
3D:1.999
Li 位点:7.848
|
|
| 17665 | Li4 Mn6 Se8 O24 | mp-773051.cif | mp-Li | - | - | - |
ML:0.004337 mS/cm
AutoNEP:-
NEP_300K:-
GII:-
3D 阈值:-
状态:通过
半径:0.5385 Å
3D:2.094
Li 位点:3.687
|
|
| 17664 | Li16 Cr8 O32 | mp-773050.cif | mp-Li | - | - | - |
ML:1.716e-04 mS/cm
AutoNEP:-
NEP_300K:-
GII:-
3D 阈值:-
状态:通过
半径:0.725 Å
3D:1.385
Li 位点:6.995
|
|
| 17663 | K6 Li2 Nb12 O30 | mp-773049.cif | mp-Li | - | 8.335e-04 S/cm | - |
ML:0.3868 mS/cm
AutoNEP:8.335e-04 S/cm
NEP_300K:-
GII:-
3D 阈值:-
状态:无法计算
半径:-
3D:-
Li 位点:-
|
|
| 17662 | Li2 V3 Fe1 O8 | mp-773045.cif | mp-Li | - | - | - |
ML:1.108e-07 mS/cm
AutoNEP:-
NEP_300K:-
GII:-
3D 阈值:-
状态:未通过
半径:0.537 Å
3D:3.471
Li 位点:1.706
|
|
| 17661 | Li2 Cu2 O4 | mp-773044.cif | mp-Li | - | - | - |
ML:2.698e-05 mS/cm
AutoNEP:-
NEP_300K:-
GII:-
3D 阈值:-
状态:未通过
半径:0.7605 Å
3D:3.177
Li 位点:2.544
|
|
| 17660 | Li8 Fe16 O32 | mp-773043.cif | mp-Li | - | - | - |
ML:2.804e-05 mS/cm
AutoNEP:-
NEP_300K:-
GII:-
3D 阈值:-
状态:未通过
半径:0.541 Å
3D:1.628
Li 位点:1.805
|
|
| 17659 | Li10 V6 P16 O58 | mp-773042.cif | mp-Li | - | - | - |
ML:0.001372 mS/cm
AutoNEP:-
NEP_300K:-
GII:-
3D 阈值:-
状态:通过
半径:0.948 Å
3D:1.585
Li 位点:7.458
|
|
| 17658 | Li8 V12 Sn4 O32 | mp-773041.cif | mp-Li | - | - | - |
ML:2.168e-06 mS/cm
AutoNEP:-
NEP_300K:-
GII:-
3D 阈值:-
状态:未通过
半径:0.5745 Å
3D:1.602
Li 位点:1.76
|
|
| 17657 | Li4 Ti12 Zn6 O32 | mp-773039.cif | mp-Li | - | - | - |
ML:3.127e-09 mS/cm
AutoNEP:-
NEP_300K:-
GII:-
3D 阈值:-
状态:未通过
半径:0.606 Å
3D:1.509
Li 位点:1.945
|
|
| 17656 | Li12 Cr12 P12 O48 | mp-773035.cif | mp-Li | - | - | - |
ML:0.02335 mS/cm
AutoNEP:-
NEP_300K:-
GII:-
3D 阈值:-
状态:通过
半径:0.6375 Å
3D:1.44
Li 位点:4.121
|
|
| 17655 | Na8 Li4 Fe4 P4 C4 O28 | mp-773033.cif | mp-Li | - | - | - |
ML:0.07927 mS/cm
AutoNEP:-
NEP_300K:-
GII:-
3D 阈值:-
状态:无法计算
半径:-
3D:-
Li 位点:-
|
|
| 17654 | Li2 V18 O44 | mp-773031.cif | mp-Li | - | - | - |
ML:0.01869 mS/cm
AutoNEP:-
NEP_300K:-
GII:-
3D 阈值:-
状态:通过
半径:0.6575 Å
3D:1.942
Li 位点:5.527
|
|
| 17653 | Li5 V18 O44 | mp-773027.cif | mp-Li | - | - | - |
ML:0.004641 mS/cm
AutoNEP:-
NEP_300K:-
GII:-
3D 阈值:-
状态:通过
半径:0.568 Å
3D:1.935
Li 位点:4.111
|
|
| 17652 | Li4 Ca8 Nb12 O40 | mp-773024.cif | mp-Li | - | - | - |
ML:0.00413 mS/cm
AutoNEP:-
NEP_300K:-
GII:-
3D 阈值:-
状态:未通过
半径:0.7825 Å
3D:3.148
Li 位点:4.91
|
|
| 17651 | Li8 Cr8 Si24 O60 | mp-773023.cif | mp-Li | - | - | - |
ML:0.02929 mS/cm
AutoNEP:-
NEP_300K:-
GII:-
3D 阈值:-
状态:通过
半径:0.906 Å
3D:1.425
Li 位点:5.02
|
|
| 17650 | Li2 V12 O29 | mp-773021.cif | mp-Li | - | - | - |
ML:0.002175 mS/cm
AutoNEP:-
NEP_300K:-
GII:-
3D 阈值:-
状态:未通过
半径:0.642 Å
3D:4.367
Li 位点:7.574
|
|
| 17649 | Li2 Mg1 Cr3 Se3 S3 O24 | mp-773018.cif | mp-Li | - | - | - |
ML:0.05738 mS/cm
AutoNEP:-
NEP_300K:-
GII:-
3D 阈值:-
状态:无法计算
半径:-
3D:-
Li 位点:-
|
|
| 17648 | Li4 Ti8 P12 O48 | mp-773017.cif | mp-Li | beta-D、势函数可信 | 0.001082 S/cm | 0.02044 mS/cm |
ML:0.007347 mS/cm
AutoNEP:0.001082 S/cm
NEP_300K:0.02044 mS/cm
GII:-
3D 阈值:-
状态:通过
半径:0.703 Å
3D:1.547
Li 位点:10.44
|
|
| 17647 | K8 Li12 Mn4 O16 | mp-773015.cif | mp-Li | - | - | - |
ML:3.209e-05 mS/cm
AutoNEP:-
NEP_300K:-
GII:-
3D 阈值:-
状态:未通过
半径:0.522 Å
3D:1.673
Li 位点:1.609
|
|
| 17646 | Li1 Fe23 O32 | mp-773010.cif | mp-Li | - | - | - |
ML:6.164e-09 mS/cm
AutoNEP:-
NEP_300K:-
GII:-
3D 阈值:-
状态:未通过
半径:0.525 Å
3D:1.721
Li 位点:1.833
|
|
| 17645 | Li5 Mn5 P6 O24 | mp-773009.cif | mp-Li | - | - | - |
ML:0.04298 mS/cm
AutoNEP:-
NEP_300K:-
GII:-
3D 阈值:-
状态:通过
半径:0.6935 Å
3D:1.961
Li 位点:4.954
|
|
| 17644 | Li2 Cu10 P4 O16 | mp-773007.cif | mp-Li | - | - | - |
ML:5.076e-04 mS/cm
AutoNEP:-
NEP_300K:-
GII:-
3D 阈值:-
状态:通过
半径:0.6235 Å
3D:1.182
Li 位点:2.586
|
|
| 17643 | K8 Li8 Ni4 O16 | mp-773004.cif | mp-Li | - | - | - |
ML:0.001132 mS/cm
AutoNEP:-
NEP_300K:-
GII:-
3D 阈值:-
状态:未通过
半径:0.5175 Å
3D:1.637
Li 位点:1.588
|