Index,Type,Origin,Notes,File,Unique sites,x_P,x_P2S5,Formula
1,glassy,ANN-GA,b-Li3PS4-Li48P16S64-del-1L2S,22-05-13-LPS-no-POTCAR/001,63,0.128,0.258064516,Li46P16S63
2,glassy,ANN-GA,b-Li3PS4-Li48P16S64-del-1L2S,22-05-13-LPS-no-POTCAR/002,63,0.128,0.258064516,Li46P16S63
3,glassy,ANN-GA,b-Li3PS4-Li48P16S64-del-1L2S,22-05-13-LPS-no-POTCAR/003,63,0.128,0.258064516,Li46P16S63
4,glassy,ANN-GA,b-Li3PS4-Li48P16S64-del-1L2S,22-05-13-LPS-no-POTCAR/004,63,0.128,0.258064516,Li46P16S63
5,glassy,ANN-GA,b-Li3PS4-Li48P16S64-del-1L2S,22-05-13-LPS-no-POTCAR/005,63,0.128,0.258064516,Li46P16S63
6,glassy,ANN-GA,b-Li3PS4-Li48P16S64-del-1L2S,22-05-13-LPS-no-POTCAR/006,63,0.128,0.258064516,Li46P16S63
7,glassy,ANN-GA,b-Li3PS4-Li48P16S64-del-1L2S,22-05-13-LPS-no-POTCAR/007,63,0.128,0.258064516,Li46P16S63
8,glassy,ANN-GA,b-Li3PS4-Li48P16S64-del-1L2S,22-05-13-LPS-no-POTCAR/008,63,0.128,0.258064516,Li46P16S63
9,glassy,ANN-GA,b-Li3PS4-Li48P16S64-del-1L2S,22-05-13-LPS-no-POTCAR/009,63,0.128,0.258064516,Li46P16S63
10,glassy,ANN-GA,b-Li3PS4-Li48P16S64-del-1L2S,22-05-13-LPS-no-POTCAR/010,63,0.128,0.258064516,Li46P16S63
11,glassy,ANN-GA,b-Li3PS4-Li48P16S64-del-2L2S,22-05-13-LPS-no-POTCAR/011,62,0.131147541,0.266666667,Li22P8S31
12,glassy,ANN-GA,b-Li3PS4-Li48P16S64-del-2L2S,22-05-13-LPS-no-POTCAR/012,62,0.131147541,0.266666667,Li22P8S31
13,glassy,ANN-GA,b-Li3PS4-Li48P16S64-del-2L2S,22-05-13-LPS-no-POTCAR/013,62,0.131147541,0.266666667,Li22P8S31
14,glassy,ANN-GA,b-Li3PS4-Li48P16S64-del-2L2S,22-05-13-LPS-no-POTCAR/014,62,0.131147541,0.266666667,Li22P8S31
15,glassy,ANN-GA,b-Li3PS4-Li48P16S64-del-2L2S,22-05-13-LPS-no-POTCAR/015,62,0.131147541,0.266666667,Li22P8S31
16,glassy,ANN-GA,b-Li3PS4-Li48P16S64-del-2L2S,22-05-13-LPS-no-POTCAR/016,62,0.131147541,0.266666667,Li22P8S31
17,glassy,ANN-GA,b-Li3PS4-Li48P16S64-del-2L2S,22-05-13-LPS-no-POTCAR/017,62,0.131147541,0.266666667,Li22P8S31
18,glassy,ANN-GA,b-Li3PS4-Li48P16S64-del-2L2S,22-05-13-LPS-no-POTCAR/018,62,0.131147541,0.266666667,Li22P8S31
19,glassy,ANN-GA,b-Li3PS4-Li48P16S64-del-2L2S,22-05-13-LPS-no-POTCAR/019,62,0.131147541,0.266666667,Li22P8S31
20,glassy,ANN-GA,b-Li3PS4-Li48P16S64-del-2L2S,22-05-13-LPS-no-POTCAR/020,62,0.131147541,0.266666667,Li22P8S31
21,glassy,ANN-GA,b-Li3PS4-Li48P16S64-del-2L2S-after-opt-1L2S,22-05-13-LPS-no-POTCAR/021,62,0.131147541,0.266666667,Li22P8S31
22,glassy,ANN-GA,b-Li3PS4-Li48P16S64-del-3L2S-after-opt-2L2S,22-05-13-LPS-no-POTCAR/022,61,0.134453782,0.275862069,Li42P16S61
23,glassy,ANN-GA,b-Li3PS4-Li48P16S64-del-3L2S-after-opt-2L2S,22-05-13-LPS-no-POTCAR/023,61,0.134453782,0.275862069,Li42P16S61
24,glassy,ANN-GA,g-Li3PS4-supercell-del-2L2S,22-05-13-LPS-no-POTCAR/024,62,0.131147541,0.266666667,Li22P8S31
25,glassy,ANN-GA,g-Li3PS4-supercell-del-4L2S,22-05-13-LPS-no-POTCAR/025,60,0.137931034,0.285714286,Li10P4S15
26,glassy,ANN-GA,g-Li3PS4-supercell-del-6L2S,22-05-13-LPS-no-POTCAR/026,58,0.145454545,0.307692308,Li18P8S29
27,glassy,ANN-GA,Li7P3S11-Li56P24S88-del-2L2S,22-05-13-LPS-no-POTCAR/027,86,0.148148148,0.315789474,Li26P12S43
28,glassy,ANN-GA,b-Li3PS4-Li48P16S64-del-4L2S-after-opt-3L2S,22-05-13-LPS-no-POTCAR/028,60,0.137931034,0.285714286,Li10P4S15
29,glassy,ANN-GA,b-Li3PS4-Li48P16S64-del-5L2S-after-opt-4L2S,22-05-13-LPS-no-POTCAR/029,59,0.14159292,0.296296296,Li38P16S59
30,glassy,ANN-GA,b-Li3PS4-Li48P16S64-del-6L2S-after-opt-5L2S,22-05-13-LPS-no-POTCAR/030,58,0.145454545,0.307692308,Li18P8S29
31,glassy,ANN-GA,b-Li3PS4-Li48P16S64-del-7L2S-after-opt-6L2S,22-05-13-LPS-no-POTCAR/031,57,0.14953271,0.32,Li34P16S57
32,glassy,ANN-GA,b-Li3PS4-Li48P16S64-del-8L2S-after-opt-7L2S,22-05-13-LPS-no-POTCAR/032,56,0.153846154,0.333333333,Li4P2S7
33,glassy,ANN-GA,b-Li3PS4-Li48P16S64-del-9L2S-after-opt-8L2S,22-05-13-LPS-no-POTCAR/033,55,0.158415842,0.347826087,Li30P16S55
34,glassy,ANN-GA,b-Li3PS4-Li48P16S64-del-10L2S-after-opt-9L2S,22-05-13-LPS-no-POTCAR/034,54,0.163265306,0.363636364,Li14P8S27
35,glassy,ANN-GA,g-Li3PS4-del-3L2S,22-05-13-LPS-no-POTCAR/035,29,0.145454545,0.307692308,Li18P8S29
36,glassy,ANN-GA,Li7P3S11-del-2L2S,22-05-13-LPS-no-POTCAR/036,42,0.153846154,0.333333333,Li4P2S7
37,glassy,ANN-GA,Li7PS6-del-1L2S,22-05-13-LPS-no-POTCAR/037,23,0.075471698,0.133333333,Li26P4S23
38,glassy,ANN-GA,Li7PS6-del-2L2S,22-05-13-LPS-no-POTCAR/038,22,0.08,0.142857143,Li12P2S11
39,glassy,ANN-GA,Li7PS6-del-3L2S,22-05-13-LPS-no-POTCAR/039,21,0.085106383,0.153846154,Li22P4S21
40,glassy,ANN-GA,Li7PS6-del-4L2S,22-05-13-LPS-no-POTCAR/040,20,0.090909091,0.166666667,Li5PS5
41,glassy,ANN-GA,Li7PS6-del-5L2S,22-05-13-LPS-no-POTCAR/041,19,0.097560976,0.181818182,Li18P4S19
42,glassy,ANN-GA,Li7PS6-del-6L2S,22-05-13-LPS-no-POTCAR/042,18,0.105263158,0.2,Li8P2S9
43,glassy,ANN-GA,Li7PS6-del-7L2S,22-05-13-LPS-no-POTCAR/043,17,0.114285714,0.222222222,Li14P4S17
44,glassy,ANN-GA,LiPS3-del-1L2S,22-05-13-LPS-no-POTCAR/044,31,0.207792208,0.533333333,Li14P16S47
45,glassy,ANN-GA,g-Li3PS4-supercell-del-3L2S,22-05-13-LPS-no-POTCAR/045,61,0.134453782,0.275862069,Li42P16S61
46,glassy,ANN-GA,g-Li3PS4-supercell-del-5L2S,22-05-13-LPS-no-POTCAR/046,59,0.14159292,0.296296296,Li38P16S59
47,glassy,ANN-GA,LiPS3-del-2L2S,22-05-13-LPS-no-POTCAR/047,15,0.216216216,0.571428571,Li6P8S23
48,glassy,AIMD,Li3PS4-beta,22-05-13-LPS-no-POTCAR/048,64,0.125,0.25,Li3PS4
49,crystalline,ICSD,Li1PS3_ICSD#253894_2017_Inorg_Chem,22-05-13-LPS-no-POTCAR/049,3,0.2,0.5,LiPS3
50,crystalline,ICSD,Li2PS3_ICSD#33506_Variation_1982_J_Solid_State_Chem,22-05-13-LPS-no-POTCAR/050,1,0.166666667,0.375,Li2PS3
51,crystalline,ICSD,Li2PS3_ICSD#242170_2016_Chem_Mater,22-05-13-LPS-no-POTCAR/051,1,0.166666667,0.375,Li2PS3
52,crystalline,ICSD,Li2PS3_ICSD#434755_2018_Dalton_Trans,22-05-13-LPS-no-POTCAR/052,3,0.166666667,0.375,Li2PS3
53,crystalline,MP,Li2PS3_mp-38200,22-05-13-LPS-no-POTCAR/053,4,0.166666667,0.375,Li2PS3
54,crystalline,AFLOW,Li7P3S11_ICSD#157654_Variation_AFLOW,22-05-13-LPS-no-POTCAR/054,11,0.142857143,0.3,Li7P3S11
55,crystalline,lit,Li7P3S11_2010_J_Phys_Soc_Jpn,22-05-13-LPS-no-POTCAR/055,11,0.142857143,0.3,Li7P3S11
56,crystalline,lit,Li2PS4_α-Li3PS4_2010_J_Phys_Soc_Jpn,22-05-13-LPS-no-POTCAR/056,15,0.142857143,0.3,Li2PS4
57,crystalline,MP,Li3PS4-β_ICSD#35018_Variation_mp-985583,22-05-13-LPS-no-POTCAR/057,3,0.125,0.25,Li3PS4
58,crystalline,OQMD,Li3PS4-β_ICSD#180319_Variation_OQMD_2011_Solid_State_Ionics,22-05-13-LPS-no-POTCAR/058,3,0.125,0.25,Li3PS4
59,crystalline,lit,Li4PS4_β-Li3PS4_2011_Solid_State_Ionics,22-05-13-LPS-no-POTCAR/059,9,0.111111111,0.214285714,Li4PS4
60,crystalline,ICSD,Li3PS4-γ_ICSD#180318_2011_Solid_State_Ionics,22-05-13-LPS-no-POTCAR/060,3,0.125,0.25,Li3PS4
61,crystalline,MP,Li3PS4-γ_ICSD#180318_Variation_mp-1097036,22-05-13-LPS-no-POTCAR/061,3,0.125,0.25,Li3PS4
62,crystalline,lit,Li7PS6-LT_2010_Chem_Eur_J,22-05-13-LPS-no-POTCAR/062,6,0.071428571,0.125,Li7PS6
63,crystalline,MP,Li48P16S61_mp-1001069,22-05-13-LPS-no-POTCAR/063,37,0.128,0.258064516,Li48P16S61
64,crystalline,lit,Li4P2S7_2011_J_Power_Sources,22-05-13-LPS-no-POTCAR/064,7,0.153846154,0.333333333,Li4P2S7
65,crystalline,MP,Li4P2S7_mp-1020666,22-05-13-LPS-no-POTCAR/065,7,0.153846154,0.333333333,Li4P2S7
66,crystalline,MP,Li4P2S7_ICSD#59243#248414_mp-28450,22-05-13-LPS-no-POTCAR/066,14,0.153846154,0.333333333,Li4P2S7