formula
stringlengths 4
7
| heusler type
stringclasses 3
values | num_electron
int64 13
39
| struct type
stringclasses 7
values | latt const
float64 -3.9
6.56
| tetragonality
float64 -0.54
7.09
| e_form
float64 -1.11
1.05
⌀ | pol fermi
float64 0
100
⌀ | mu_b
float64 0
8.16
| mu_b saturation
float64 0
1.4k
⌀ |
|---|---|---|---|---|---|---|---|---|---|
V2ScAl
|
Full Heusler
| 16
|
D022
| 5.49
| 1.561
| 0.046
| 0.1
| 0.0002
| 0.03
|
V2ScGa
|
Full Heusler
| 16
|
D022
| 5.43
| 1.5893
| -0.014
| 36.93
| 0.1775
| 25.88
|
V2ScIn
|
Full Heusler
| 16
|
D022
| 5.66
| 1.5583
| 0.191
| 34.28
| 0.1624
| 21.32
|
V2ScSi
|
Full Heusler
| 17
|
D022
| 5.34
| 1.5993
| -0.122
| 19.59
| 0.6638
| 101.12
|
V2ScGe
|
Full Heusler
| 17
|
D022
| 5.39
| 1.6104
| -0.087
| 10.09
| 0.7492
| 110.21
|
V2ScSn
|
Full Heusler
| 17
|
D022
| 5.66
| 1.5565
| 0.032
| 45.39
| 1.0025
| 131.77
|
V2ScP
|
Full Heusler
| 18
|
D022
| 5.18
| 1.6911
| -0.322
| 0
| 0.0001
| 0.02
|
V2ScAs
|
Full Heusler
| 18
|
D022
| 5.31
| 1.6742
| -0.162
| 0
| 0.0002
| 0.03
|
V2ScSb
|
Full Heusler
| 18
|
L21
| 6.5342
| 0.9988
| 0.042
| 5.26
| 4.1965
| 558.68
|
V2TiAl
|
Full Heusler
| 17
|
L21
| 6.16
| 1
| -0.024
| 8.6
| 0.7065
| 112.12
|
V2TiGa
|
Full Heusler
| 17
|
L21
| 6.1358
| 0.9952
| -0.039
| 4.9
| 0.6168
| 99.53
|
V2TiIn
|
Full Heusler
| 17
|
L21
| 6.3622
| 0.9998
| 0.205
| 18.85
| 0.6805
| 98.04
|
V2TiSi
|
Full Heusler
| 18
|
D022
| 5.8997
| 1.059
| -0.253
| 0.03
| 0.0001
| 0.02
|
V2TiGe
|
Full Heusler
| 18
|
D022
| 5.18
| 1.6564
| -0.219
| 0.02
| 0.0002
| 0.03
|
V2TiSn
|
Full Heusler
| 18
|
D022
| 5.8782
| 1.2673
| -0.014
| 0.02
| 0.0002
| 0.03
|
V2TiP
|
Full Heusler
| 19
|
D022
| 5.04
| 1.6766
| -0.492
| 0
| 0
| 0
|
V2TiAs
|
Full Heusler
| 19
|
D022
| 5.177
| 1.6492
| -0.281
| 0
| 0
| 0
|
V2TiSb
|
Full Heusler
| 19
|
L21
| 6.32
| 1
| -0.05
| 13.05
| 1.7344
| 254.87
|
V2VAl
|
Full Heusler
| 18
|
L21
| 6.03
| 1
| -0.087
| 0
| 0
| 0
|
V2VGa
|
Full Heusler
| 18
|
L21
| 6.03
| 1
| -0.097
| 0
| 0
| 0
|
V2VIn
|
Full Heusler
| 18
|
L21
| 6.25
| 1
| 0.218
| 0.01
| 0
| 0
|
V2VSi
|
Full Heusler
| 19
|
D022
| 5.72
| 1.1031
| -0.307
| 0
| 0
| 0
|
V2VGe
|
Full Heusler
| 19
|
D022
| 5.68
| 1.1761
| -0.177
| 0
| 0.0001
| 0.02
|
V2VSn
|
Full Heusler
| 19
|
D022
| 5.94
| 1.1599
| 0.032
| 0.02
| 0.0002
| 0.03
|
V2VP
|
Full Heusler
| 20
|
D022
| 5.41
| 1.2662
| -0.421
| 0
| 0
| 0
|
V2VAs
|
Full Heusler
| 20
|
D022
| 5.16
| 1.5659
| -0.222
| 0
| 0
| 0
|
V2VSb
|
Full Heusler
| 20
|
L21
| 6.24
| 1
| 0.002
| 81.02
| 2.013
| 307.34
|
V2CrAl
|
Full Heusler
| 19
|
L21
| 5.96
| 1
| -0.052
| 91.93
| 0.9835
| 172.33
|
V2CrGa
|
Full Heusler
| 19
|
D022
| 5.6588
| 1.1587
| -0.051
| 0
| 0
| 0
|
V2CrIn
|
Full Heusler
| 19
|
L21
| 6.21
| 1
| 0.306
| 38.99
| 1.4251
| 220.75
|
V2CrSi
|
Full Heusler
| 20
|
D022
| 5.568
| 1.1595
| -0.248
| 0
| 0.0001
| 0.02
|
V2CrGe
|
Full Heusler
| 20
|
D022
| 5.5191
| 1.2431
| -0.103
| 0
| 0
| 0
|
V2CrSn
|
Full Heusler
| 20
|
L21
| 6.24
| 1
| 0.132
| 71.38
| 1.865
| 284.74
|
V2CrP
|
Full Heusler
| 21
|
D022
| 5.0183
| 1.5324
| -0.378
| 10.54
| 0.7036
| 134.78
|
V2CrAs
|
Full Heusler
| 21
|
D022
| 5.1692
| 1.503
| -0.127
| 2.95
| 0.6871
| 122.78
|
V2CrSb
|
Full Heusler
| 21
|
D022
| 5.4071
| 1.4828
| 0.101
| 42.04
| 0.8851
| 140.07
|
V2MnAl
|
Full Heusler
| 20
|
L21
| 5.96
| 1
| -0.075
| 27.41
| 1.466
| 256.88
|
V2MnGa
|
Full Heusler
| 20
|
D022
| 5.2009
| 1.4615
| -0.078
| 22.35
| 0.6602
| 119.12
|
V2MnIn
|
Full Heusler
| 20
|
L21
| 6.31
| 1
| 0.244
| 34.48
| 1.7014
| 251.21
|
V2MnSi
|
Full Heusler
| 21
|
D022
| 4.9331
| 1.652
| -0.318
| 13.4
| 1.6566
| 309.86
|
V2MnGe
|
Full Heusler
| 21
|
D022
| 5.3965
| 1.3275
| -0.157
| 20.92
| 1.1573
| 205.77
|
V2MnSn
|
Full Heusler
| 21
|
L21
| 6.32
| 1
| 0.071
| 48.97
| 1.492
| 219.25
|
V2MnP
|
Full Heusler
| 22
|
D022
| 4.9367
| 1.5977
| -0.47
| 42.86
| 1.815
| 350.26
|
V2MnAs
|
Full Heusler
| 22
|
D022
| 5.0731
| 1.5509
| -0.221
| 40.59
| 1.93
| 353.58
|
V2MnSb
|
Full Heusler
| 22
|
L21
| 6.28
| 1
| 0.041
| 44.8
| 0.9135
| 136.82
|
V2FeAl
|
Full Heusler
| 21
|
D022
| 4.9285
| 1.6927
| -0.147
| 12.82
| 1.5127
| 276.92
|
V2FeGa
|
Full Heusler
| 21
|
D022
| 5.0109
| 1.6379
| -0.129
| 28.24
| 1.6169
| 291.04
|
V2FeIn
|
Full Heusler
| 21
|
L21
| 6.21
| 1
| 0.288
| 41.86
| 0.9985
| 154.67
|
V2FeSi
|
Full Heusler
| 22
|
L21
| 5.86
| 1
| -0.255
| 18.92
| 1.2041
| 221.97
|
V2FeGe
|
Full Heusler
| 22
|
L21
| 5.96
| 1
| -0.128
| 27.75
| 0.8354
| 146.38
|
V2FeSn
|
Full Heusler
| 22
|
D022
| 5.2012
| 1.6185
| 0.014
| 31.81
| 2.016
| 328.39
|
V2FeP
|
Full Heusler
| 23
|
D022
| 4.9363
| 1.5625
| -0.494
| 44.8
| 1.4605
| 288.27
|
V2FeAs
|
Full Heusler
| 23
|
D022
| 4.9572
| 1.6374
| -0.235
| 25.94
| 1.3832
| 257.25
|
V2FeSb
|
Full Heusler
| 23
|
D022
| 5.1592
| 1.6446
| -0.027
| 22.82
| 1.4375
| 236.11
|
V2CoAl
|
Full Heusler
| 22
|
D022
| 4.8925
| 1.7232
| -0.221
| 0.14
| 0.0019
| 0.35
|
V2CoGa
|
Full Heusler
| 22
|
D022
| 4.9264
| 1.6825
| -0.184
| 0
| 0.0042
| 0.77
|
V2CoIn
|
Full Heusler
| 22
|
L21
| 6.2
| 1
| 0.313
| 63.65
| 3.7179
| 578.69
|
V2CoSi
|
Full Heusler
| 23
|
D022
| 4.8494
| 1.6761
| -0.42
| 0
| 0
| 0
|
V2CoGe
|
Full Heusler
| 23
|
D022
| 4.9455
| 1.6546
| -0.264
| 0.29
| 0.0707
| 13.1
|
V2CoSn
|
Full Heusler
| 23
|
D022
| 5.137
| 1.674
| -0.05
| 3.77
| 0.0912
| 14.91
|
V2CoP
|
Full Heusler
| 24
|
D022
| 4.8591
| 1.6121
| -0.553
| 0.02
| 0.0001
| 0.02
|
V2CoAs
|
Full Heusler
| 24
|
D022
| 4.9811
| 1.6124
| -0.303
| 0.05
| 0.0007
| 0.13
|
V2CoSb
|
Full Heusler
| 24
|
D022
| 5.1663
| 1.6342
| -0.109
| 0.02
| 0.0001
| 0.02
|
V2NiAl
|
Full Heusler
| 23
|
D022
| 4.9115
| 1.7241
| -0.291
| 0
| 0
| 0
|
V2NiGa
|
Full Heusler
| 23
|
D022
| 4.952
| 1.6784
| -0.25
| 0
| 0
| 0
|
V2NiIn
|
Full Heusler
| 23
|
D022
| 5.1417
| 1.6933
| 0.052
| 0
| 0
| 0
|
V2NiSi
|
Full Heusler
| 24
|
D022
| 4.9295
| 1.6188
| -0.461
| 0
| 0
| 0
|
V2NiGe
|
Full Heusler
| 24
|
D022
| 5.0215
| 1.6023
| -0.323
| 0
| 0
| 0
|
V2NiSn
|
Full Heusler
| 24
|
D022
| 5.1991
| 1.6346
| -0.139
| 0
| 0
| 0
|
V2NiP
|
Full Heusler
| 25
|
D022
| 4.9483
| 1.5557
| -0.556
| 0
| 0
| 0
|
V2NiAs
|
Full Heusler
| 25
|
D022
| 5.0667
| 1.557
| -0.335
| 0.01
| 0
| 0
|
V2NiSb
|
Full Heusler
| 25
|
D022
| 5.239
| 1.5891
| -0.167
| 0
| 0
| 0
|
Cr2ScAl
|
Full Heusler
| 18
|
L21
| 6.3429
| 1.0001
| 0.119
| 93.06
| 5.9142
| 859.64
|
Cr2ScGa
|
Full Heusler
| 18
|
L21
| 6.31
| 1
| 0.138
| 88.23
| 5.8512
| 863.94
|
Cr2ScIn
|
Full Heusler
| 18
|
L21
| 6.56
| 1
| 0.265
| 92.46
| 5.9213
| 778.1
|
Cr2ScSi
|
Full Heusler
| 19
|
L21
| 6.1227
| 1.0004
| -0.035
| 78.57
| 4.937
| 797.6
|
Cr2ScGe
|
Full Heusler
| 19
|
L21
| 6.21
| 1
| 0.049
| 78.76
| 4.9294
| 763.57
|
Cr2ScSn
|
Full Heusler
| 19
|
L21
| 6.47
| 1
| 0.081
| 87.85
| 4.9609
| 679.48
|
Cr2ScP
|
Full Heusler
| 20
|
L21
| 5.9823
| 1.0004
| -0.088
| 95.99
| 3.9738
| 688.25
|
Cr2ScAs
|
Full Heusler
| 20
|
L21
| 6.1469
| 0.9949
| 0.066
| 96.85
| 3.9852
| 639.75
|
Cr2ScSb
|
Full Heusler
| 20
|
L21
| 6.3895
| 0.9995
| 0.083
| 98.13
| 3.997
| 568.67
|
Cr2TiAl
|
Full Heusler
| 19
|
L21
| 6.096
| 1.0002
| -0.008
| 28.16
| 4.4399
| 726.9
|
Cr2TiGa
|
Full Heusler
| 19
|
L21
| 6.0763
| 1.0004
| 0.016
| 39.51
| 4.3226
| 714.45
|
Cr2TiIn
|
Full Heusler
| 19
|
L21
| 6.35
| 1
| 0.241
| 68.08
| 4.733
| 685.71
|
Cr2TiSi
|
Full Heusler
| 20
|
L21
| 5.91
| 1
| -0.252
| 15.92
| 3.0466
| 547.49
|
Cr2TiGe
|
Full Heusler
| 20
|
L21
| 6
| 1
| -0.114
| 18.73
| 3.318
| 569.84
|
Cr2TiSn
|
Full Heusler
| 20
|
L21
| 6.2865
| 0.9988
| 0.016
| 81.83
| 3.8602
| 577.05
|
Cr2TiP
|
Full Heusler
| 21
|
L21
| 5.7976
| 1.0001
| -0.362
| 5.2
| 2.5318
| 481.92
|
Cr2TiAs
|
Full Heusler
| 21
|
L21
| 5.9565
| 1.0017
| -0.136
| 65.11
| 2.9461
| 516.24
|
Cr2TiSb
|
Full Heusler
| 21
|
L21
| 6.2179
| 0.999
| -0.033
| 86.72
| 2.9913
| 462.02
|
Cr2VAl
|
Full Heusler
| 20
|
L21
| 5.93
| 1
| -0.055
| 31.65
| 2.6887
| 478.31
|
Cr2VGa
|
Full Heusler
| 20
|
L21
| 5.93
| 1
| -0.02
| 6.48
| 2.8109
| 500.04
|
Cr2VIn
|
Full Heusler
| 20
|
L21
| 6.25
| 1
| 0.272
| 46.41
| 3.7257
| 566.1
|
Cr2VSi
|
Full Heusler
| 21
|
L21
| 5.81
| 1.0005
| -0.288
| 53.98
| 2.8966
| 547.62
|
Cr2VGe
|
Full Heusler
| 21
|
L21
| 5.9082
| 1
| -0.115
| 83.36
| 2.9515
| 530.88
|
Cr2VSn
|
Full Heusler
| 21
|
L21
| 6.18
| 1
| 0.078
| 64.35
| 2.9765
| 467.81
|
Cr2VP
|
Full Heusler
| 22
|
L21
| 5.66
| 1
| -0.364
| 13.01
| 0.3656
| 74.8
|
Cr2VAs
|
Full Heusler
| 22
|
L21
| 5.84
| 1
| -0.071
| 23.18
| 1.7736
| 330.33
|
Cr2VSb
|
Full Heusler
| 22
|
L21
| 6.11
| 1
| 0.103
| 93.35
| 1.9941
| 324.3
|
Cr2CrAl
|
Full Heusler
| 21
|
L21
| 5.9114
| 1.0002
| -0.021
| 64.28
| 2.9205
| 524.38
|
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