Materials ID
stringlengths
5
8
Formula
stringlengths
1
14
l
int64
1
72
Atomic sites per cell
int64
1
252
Crystal system
stringclasses
7 values
Space group [Number]
stringclasses
139 values
Formation energy (eV/atom)
float64
-1.82
2.07
Energy relative to convex hull (eV/atom)
stringclasses
394 values
Structure search
stringclasses
18 values
Averaged magnetic moment (μB/atom)
float64
0
2.72
Magnetic polarization, Js (T)
float64
0
2.5
Magnetic easy axis
stringclasses
6 values
Magnetic anisotropy constants: Ka-c, Kb-c, Kb-a, Kd-a (MJ/m3)
stringclasses
386 values
Magnetic anisotropy constants: Ka-c, Kb-c, Kb-a, Kd-a (MJ/m3).1
stringclasses
242 values
Magnetic anisotropy constants: Ka-c, Kb-c, Kb-a, Kd-a (MJ/m3).2
stringclasses
208 values
Magnetic anisotropy constants: Ka-c, Kb-c, Kb-a, Kd-a (MJ/m3).3
stringclasses
26 values
Curie temperature, TC (K)
stringclasses
4 values
Methods
stringclasses
1 value
References
stringlengths
2
11
MMD-201
Co2N
2
6
orthorhombic
Pnnm [58]
0.064
0.064
AGA search
0
0
.
.
.
.
.
.
DFT
MS
MMD-202
Co2N
2
6
orthorhombic
Pnnm [58]
0.064
0.064
AGA search
0
0
.
.
.
.
.
.
DFT
MS
MMD-203
Co2N
2
6
orthorhombic
Pnnm [58]
0.064
0.064
AGA search
0
0
.
.
.
.
.
.
DFT
MS
MMD-204
Co2N
2
6
orthorhombic
Pnnm [58]
0.064
0.064
AGA search
0
0
.
.
.
.
.
.
DFT
MS
MMD-205
Co2N
2
6
orthorhombic
Pnnm [58]
0.064
0.064
AGA search
0
0
.
.
.
.
.
.
DFT
MS
MMD-206
Co2N
2
6
orthorhombic
Pnnm [58]
0.064
0.064
AGA search
0
0
.
.
.
.
.
.
DFT
MS
MMD-207
Co2N
2
6
orthorhombic
Pnnm [58]
0.065
0.065
AGA search
0
0
.
.
.
.
.
.
DFT
MS
MMD-208
Co2N
2
6
orthorhombic
Pnnm [58]
0.064
0.064
AGA search
0
0
.
.
.
.
.
.
DFT
MS
MMD-209
Co2N
2
6
orthorhombic
Pnnm [58]
0.064
0.064
AGA search
0
0
.
.
.
.
.
.
DFT
MS
MMD-210
Co2N
2
6
triclinic
P1 [1]
0.766
0.766
AGA search
0.01
0.01
.
.
.
.
.
.
DFT
MS
MMD-211
Co2N
2
6
orthorhombic
Pnnm [58]
0.064
0.064
AGA search
0
0
.
.
.
.
.
.
DFT
MS
MMD-212
Co2N
2
6
orthorhombic
Pnnm [58]
0.065
0.065
AGA search
0
0
.
.
.
.
.
.
DFT
MS
MMD-213
Co2N
2
6
tetragonal
P4_2/mnm [136]
0.067
0.067
AGA search
0
0
.
.
.
.
.
.
DFT
MS
MMD-214
Co2N
2
6
orthorhombic
Pnnm [58]
0.064
0.064
AGA search
0
0
.
.
.
.
.
.
DFT
MS
MMD-215
Co2N
2
6
orthorhombic
Pnnm [58]
0.064
0.064
AGA search
0
0
.
.
.
.
.
.
DFT
MS
MMD-216
Co2N
2
6
orthorhombic
Pnnm [58]
0.064
0.064
AGA search
0
0
.
.
.
.
.
.
DFT
MS
MMD-217
Co2N
2
6
orthorhombic
Pnnm [58]
0.064
0.064
AGA search
0
0
.
.
.
.
.
.
DFT
MS
MMD-218
Co2N
2
6
orthorhombic
Pnnm [58]
0.064
0.064
AGA search
0
0
.
.
.
.
.
.
DFT
MS
MMD-219
Co2N
2
6
orthorhombic
Pnnm [58]
0.064
0.064
AGA search
0
0
.
.
.
.
.
.
DFT
MS
MMD-220
Co2N
2
6
orthorhombic
Pnnm [58]
0.064
0.064
AGA search
0
0
.
.
.
.
.
.
DFT
MS
MMD-221
Co2N
8
24
orthorhombic
Pnnm [58]
0.065
0.065
AGA search
0
0
.
.
.
.
.
.
DFT
MS
MMD-222
Co2N
2
6
orthorhombic
Pnnm [58]
0.064
0.064
AGA search
0
0
.
.
.
.
.
.
DFT
MS
MMD-223
Co2N
2
6
orthorhombic
Pnnm [58]
0.064
0.064
AGA search
0
0
.
.
.
.
.
.
DFT
MS
MMD-224
Co3N
2
8
orthorhombic
Cmmm [65]
0.11
0.11
AGA search
1.03
1.22
a
-0.78
-0.84
-0.05
.
.
DFT
MS
MMD-225
Co4N
2
10
monoclinic
P2_1/c [14]
0.069
0.069
AGA search
0.93
1.08
a
-1.26
-0.68
0.58
.
.
DFT
MS
MMD-226
Co4N
4
20
monoclinic
C2 [5]
0.073
0.073
AGA search
0.91
1.06
b
0.07
-0.14
-0.21
.
.
DFT
MS
MMD-227
Co5N
2
12
tetragonal
I4/m [87]
0.064
0.064
AGA search
1.14
1.3
ab plane
-2.42
.
.
.
.
DFT
MS
MMD-228
Co5N
2
12
tetragonal
I4/m [87]
0.064
0.064
AGA search
1.14
1.3
ab plane
-2.42
.
.
.
.
DFT
MS
MMD-229
Co5N
4
24
orthorhombic
Cmmm [65]
0.064
0.064
AGA search
1.27
1.42
a
-0.53
-0.22
0.3
.
.
DFT
MS
MMD-230
Co5N
4
24
orthorhombic
Cmmm [65]
0.064
0.064
AGA search
1.27
1.42
a
-0.52
-0.25
0.27
.
.
DFT
MS
MMD-231
Co5N
4
24
orthorhombic
Cmmm [65]
0.064
0.064
AGA search
1.27
1.42
a
-0.52
-0.27
0.25
.
.
DFT
MS
MMD-232
Co5N
2
12
tetragonal
I4/m [87]
0.064
0.064
AGA search
1.15
1.3
ab plane
-2.42
.
.
.
.
DFT
MS
MMD-233
Co5N
4
24
orthorhombic
Cmcm [63]
0.064
0.064
AGA search
1.26
1.41
c
0.04
-0.98
-1.01
.
.
DFT
MS
MMD-234
Co5N
4
24
orthorhombic
Cmmm [65]
0.064
0.064
AGA search
1.27
1.42
a
-0.5
-0.23
0.27
.
.
DFT
MS
MMD-235
Co8N
4
36
cubic
Fm-3m [225]
0.039
0.039
AGA search
1.29
1.45
<111>
.
.
.
0
.
DFT
MS
MMD-236
Co8N
2
18
cubic
Fm-3m [225]
0.04
0.04
AGA search
1.29
1.45
ab plane
-0.35
.
.
.
.
DFT
MS
MMD-237
Co8N
2
18
monoclinic
C2/m [12]
0.042
0.042
AGA search
1.24
1.39
a
-0.52
-0.33
0.18
.
.
DFT
MS
MMD-238
Co8N
2
18
monoclinic
C2/m [12]
0.042
0.042
AGA search
1.24
1.39
a
-0.51
-0.33
0.18
.
.
DFT
MS
MMD-239
Co8N
2
18
monoclinic
C2/m [12]
0.042
0.042
AGA search
1.24
1.39
a
-0.52
-0.34
0.17
.
.
DFT
MS
MMD-240
Co8N
2
18
monoclinic
C2/m [12]
0.042
0.042
AGA search
1.24
1.39
a
-0.52
-0.35
0.17
.
.
DFT
MS
MMD-241
Co8N
2
18
monoclinic
C2/m [12]
0.042
0.042
AGA search
1.23
1.39
a
-0.52
-0.38
0.14
.
.
DFT
MS
MMD-242
Co8N
2
18
monoclinic
C2/m [12]
0.042
0.042
AGA search
1.35
1.51
b
-0.01
-0.12
-0.12
.
.
DFT
MS
MMD-243
Co8N
2
18
monoclinic
C2/m [12]
0.042
0.042
AGA search
1.35
1.51
b
0.04
-0.03
-0.07
.
.
DFT
MS
MMD-244
Co8N
2
18
monoclinic
C2/m [12]
0.042
0.042
AGA search
1.36
1.51
b
0.07
-0.07
-0.14
.
.
DFT
MS
MMD-245
Co8N
2
18
monoclinic
C2/m [12]
0.042
0.042
AGA search
1.23
1.39
a
-0.52
-0.37
0.15
.
.
DFT
MS
MMD-246
Co8N
2
18
orthorhombic
Cmmm [65]
0.044
0.044
AGA search
1.3
1.45
a
-0.98
-1.5
-0.52
.
.
DFT
MS
MMD-247
Co8N
2
18
orthorhombic
Cmmm [65]
0.044
0.044
AGA search
1.3
1.45
a
-0.97
-1.49
-0.52
.
.
DFT
MS
MMD-248
Co8N
2
18
orthorhombic
Cmmm [65]
0.044
0.044
AGA search
1.3
1.45
a
-0.97
-1.48
-0.5
.
.
DFT
MS
MMD-249
Co4N
4
20
monoclinic
C2 [5]
0.107
0.107
AGA search
0.81
1.02
b
0.22
-0.05
-0.27
.
.
DFT
MS
MMD-250
Co4N
2
10
monoclinic
P2_1/c [14]
0.097
0.097
AGA search
0.87
1.08
a
-1.04
-0.8
0.24
.
.
DFT
MS
MMD-251
Co4N
2
10
orthorhombic
P2_12_12 [18]
0.115
0.115
AGA search
0.82
1.04
a
-0.82
-0.29
0.53
.
.
DFT
MS
MMD-252
Co4N
2
10
orthorhombic
P2_12_12 [18]
0.113
0.113
AGA search
0.83
1.04
a
-0.81
-0.29
0.52
.
.
DFT
MS
MMD-253
Co5N
4
24
monoclinic
C2 [5]
0.106
0.106
AGA search
0.97
1.2
b
0.4
-0.16
-0.56
.
.
DFT
MS
MMD-254
Co5N
2
12
tetragonal
I4/m [87]
0.098
0.098
AGA search
1.05
1.29
ab plane
-2.71
.
.
.
.
DFT
MS
MMD-255
Co3N
6
24
trigonal
R-3c [167]
0.106
0.106
AGA search
0.58
0.76
c
0.65
.
.
.
.
DFT
MS
MMD-256
Co3N
6
24
trigonal
R-3c [167]
0.069
0.069
AGA search
0.68
0.81
c
0.87
.
.
.
.
DFT
MS
MMD-257
Co3N
2
8
hexagonal
P6_322 [182]
0.07
0.07
AGA search
0.73
0.87
c
0.03
.
.
.
.
DFT
MS
MMD-258
Co4N
2
10
orthorhombic
P2_12_12 [18]
0.079
0.079
AGA search
0.97
1.13
a
-0.21
-0.06
0.15
.
.
DFT
MS
MMD-259
Co4N
2
10
tetragonal
I4/mmm [139]
0.088
0.088
AGA search
1.23
1.4
c
3.1
.
.
.
.
DFT
MS
MMD-260
Co5N
4
24
monoclinic
C2 [5]
0.07
0.07
AGA search
1.08
1.24
b
0.5
-0.05
-0.55
.
.
DFT
MS
MMD-261
Co5N
4
24
monoclinic
C2 [5]
0.106
0.106
AGA search
0.97
1.2
b
0.4
-0.16
-0.56
.
.
DFT
MS
MMD-262
Co8N
1
9
tetragonal
P4/mmm [123]
0.05
0.05
AGA search
1.38
1.52
c
0.2
.
.
.
.
DFT
MS
MMD-263
Co8N
4
36
cubic
Fm-3m [225]
0.039
0.039
AGA search
1.28
1.45
a
.
.
.
0
.
DFT
MS
MMD-264
Co8N
4
36
cubic
Fm-3m [225]
0.046
0.046
AGA search
1.24
1.45
a
.
.
.
0
.
DFT
MS
MMD-265
Co8N
2
18
tetragonal
I4/mmm [139]
0.122
0.122
AGA search
1.37
1.51
ab plane
-2.26
.
.
.
.
DFT
MS
MMD-266
Co4N
2
10
monoclinic
P2_1/c [14]
0.068
0.068
AGA search
0.93
1.09
a
-1.22
-0.68
0.53
.
.
DFT
MS
MMD-267
Co4N
4
20
monoclinic
C2 [5]
0.072
0.072
AGA search
0.9
1.06
b
0.09
-0.13
-0.21
.
.
DFT
MS
MMD-268
Co5N
2
12
tetragonal
I4/m [87]
0.063
0.063
AGA search
1.14
1.3
ab plane
-2.43
.
.
.
.
DFT
MS
MMD-269
Co5N
4
24
orthorhombic
Cmcm [63]
0.063
0.063
AGA search
1.25
1.41
c
0.05
-0.96
-1.01
.
.
DFT
MS
MMD-270
Co5N
4
24
orthorhombic
Cmmm [65]
0.063
0.063
AGA search
1.26
1.42
a
-0.51
-0.27
0.24
.
.
DFT
MS
MMD-271
Co6N
2
14
triclinic
P1 [1]
0.059
0.059
AGA search
1.17
1.33
.
.
.
.
.
.
DFT
MS
MMD-272
Co6N
2
14
monoclinic
C2/m [12]
0.062
0.062
AGA search
1.15
1.32
a
-0.24
0.68
0.92
.
.
DFT
MS
MMD-273
Co7N
2
16
triclinic
P-1 [2]
0.051
0.051
AGA search
1.19
1.36
.
.
.
.
.
.
DFT
MS
MMD-274
Co8N
4
36
cubic
Fm-3m [225]
0.039
0.039
AGA search
1.28
1.45
a
.
.
.
0
.
DFT
MS
MMD-275
Co8N
4
36
cubic
Fm-3m [225]
0.039
0.039
AGA search
1.28
1.45
a
.
.
.
0
.
DFT
MS
MMD-276
Co8N
2
18
monoclinic
C2/m [12]
0.041
0.041
AGA search
1.35
1.51
c
0.24
0.15
-0.09
.
.
DFT
MS
MMD-277
Co8N
2
18
orthorhombic
Cmmm [65]
0.043
0.043
AGA search
1.3
1.45
a
-0.98
-1.51
-0.52
.
.
DFT
MS
MMD-278
Co3Ge
4
16
orthorhombic
Cmcm [63]
-0.099
0.001
AGA search
0.76
0.78
c
0.23
0.32
0.09
.
.
DFT
MS
MMD-279
Co3Ge
2
8
tetragonal
I4/mmm [139]
-0.068
0.033
AGA search
0.76
0.79
ab plane
-2.21
.
.
.
.
DFT
MS
MMD-280
Co3Ge
2
8
tetragonal
I4/mmm [139]
-0.068
0.033
AGA search
0.76
0.79
ab plane
-2.21
.
.
.
.
DFT
MS
MMD-281
Co3Ge
6
24
tetragonal
I4/mmm [139]
-0.068
0.033
AGA search
0.76
0.78
.
.
.
.
.
.
DFT
MS
MMD-282
Co3Ge
4
16
orthorhombic
Cmcm [63]
-0.099
0.001
AGA search
0.76
0.78
c
0.21
0.32
0.11
.
.
DFT
MS
MMD-283
CoN
4
8
cubic
F-43m [216]
0.085
0.085
AGA search
0
0
.
.
.
.
.
.
DFT
MS
MMD-284
CoN
4
8
cubic
F-43m [216]
0.085
0.085
AGA search
0
0
.
.
.
.
.
.
DFT
MS
MMD-285
CoN
4
8
cubic
F-43m [216]
0.086
0.086
AGA search
0
0
.
.
.
.
.
.
DFT
MS
MMD-286
Co2N
2
6
orthorhombic
Pnnm [58]
0.064
0.064
AGA search
0
0
.
.
.
.
.
.
DFT
MS
MMD-287
Co2N
2
6
orthorhombic
Pnnm [58]
0.064
0.064
AGA search
0
0
.
.
.
.
.
.
DFT
MS
MMD-288
Co3N
6
24
trigonal
R-3c [167]
0.068
0.068
AGA search
0.67
0.81
c
0.86
.
.
.
.
DFT
MS
MMD-289
Co3N
2
8
hexagonal
P6_322 [182]
0.069
0.069
AGA search
0.72
0.87
c
0.12
.
.
.
.
DFT
MS
MMD-290
Co3N
6
24
trigonal
R-3c [167]
0.068
0.068
AGA search
0.67
0.81
c
0.86
.
.
.
.
DFT
MS
MMD-291
Co3N
6
24
trigonal
R-3c [167]
0.068
0.068
AGA search
0.67
0.81
c
0.87
.
.
.
.
DFT
MS
MMD-292
Co3N
2
8
hexagonal
P6_322 [182]
0.069
0.069
AGA search
0.72
0.87
c
0.12
.
.
.
.
DFT
MS
MMD-293
Co3N
2
8
hexagonal
P6_322 [182]
0.069
0.069
AGA search
0.71
0.86
c
0.14
.
.
.
.
DFT
MS
MMD-294
Co4N
2
10
monoclinic
P2_1/c [14]
0.068
0.068
AGA search
0.93
1.09
a
-1.23
-0.67
0.56
.
.
DFT
MS
MMD-295
Co4N
4
20
monoclinic
C2 [5]
0.072
0.072
AGA search
0.9
1.06
b
0.09
-0.13
-0.21
.
.
DFT
MS
MMD-296
Co4N
2
10
monoclinic
P2_1/c [14]
0.068
0.068
AGA search
0.93
1.09
a
-1.22
-0.68
0.55
.
.
DFT
MS
MMD-297
Co4N
2
10
monoclinic
P2_1/c [14]
0.068
0.068
AGA search
0.93
1.09
a
-1.21
-0.67
0.54
.
.
DFT
MS
MMD-298
Co4N
4
20
monoclinic
C2 [5]
0.072
0.072
AGA search
0.9
1.06
b
0.09
-0.12
-0.21
.
.
DFT
MS
MMD-299
Co4N
4
20
monoclinic
C2 [5]
0.072
0.072
AGA search
0.9
1.06
b
0.09
-0.13
-0.22
.
.
DFT
MS
MMD-300
Co5N
2
12
tetragonal
I4/m [87]
0.063
0.063
AGA search
1.14
1.3
ab plane
-2.44
.
.
.
.
DFT
MS