Unnamed: 0
int64 0
4.33k
| formula
stringlengths 2
14
| shear_modulus
float64 0
425
| split
stringclasses 3
values |
|---|---|---|---|
100
|
TiZn16
| 27.925264
|
test
|
101
|
KZnAs
| 21.837146
|
test
|
102
|
Zr6FeTe2
| 59.866862
|
test
|
103
|
K2PtCl6
| 6.213223
|
test
|
104
|
Sr2CuC(NO)2
| 20.449157
|
test
|
105
|
BaLiP
| 29.299701
|
test
|
106
|
Al12Re
| 78.821778
|
test
|
107
|
LiNbO3
| 57.067468
|
test
|
108
|
HfInCo2
| 76.125174
|
test
|
109
|
V(MoS2)2
| 70.191863
|
test
|
110
|
Li2(NiO2)3
| 49.672406
|
test
|
111
|
ZrSiTe
| 29.430604
|
test
|
112
|
LiTmO2
| 44
|
test
|
113
|
YbMgIn2
| 20
|
test
|
114
|
Cr2As
| 70
|
test
|
115
|
AlPd5I2
| 13
|
test
|
116
|
RbBi2
| 2
|
test
|
117
|
Li2CO3
| 27
|
test
|
118
|
Na2CS3
| 5.677775
|
test
|
119
|
LiNbRh2
| 65.183828
|
test
|
120
|
YbSiPt2
| 46
|
test
|
121
|
Y2Ti2O7
| 98.678961
|
test
|
122
|
CrSi2
| 172
|
test
|
123
|
In4SbTe3
| 19.148405
|
test
|
124
|
ZrOs
| 98.825641
|
test
|
125
|
MoRh3
| 126.605697
|
test
|
126
|
YSiRu
| 52.199224
|
test
|
127
|
ScNiP
| 91.815238
|
test
|
128
|
AlFe3
| 76.590845
|
test
|
129
|
LiCdAs
| 29
|
test
|
130
|
Na2NiO3
| 57.069745
|
test
|
131
|
TlCuF3
| 24.060114
|
test
|
132
|
KUO3
| 66
|
test
|
133
|
BaPdS2
| 14.064033
|
test
|
134
|
K2OsCl6
| 4
|
test
|
135
|
AlClO
| 20.939723
|
test
|
136
|
TiCuGe
| 69.894399
|
test
|
137
|
Ba2SnO4
| 51.712754
|
test
|
138
|
TiIr3
| 161.744381
|
test
|
139
|
LuCl3
| 2.887203
|
test
|
140
|
LaMg3
| 25.292364
|
test
|
141
|
Sb2Te3
| 13
|
test
|
142
|
CaZnSi
| 42.374171
|
test
|
143
|
FeCl2
| 7
|
test
|
144
|
NbTe2
| 19.768235
|
test
|
145
|
Na2CuP
| 20.415503
|
test
|
146
|
ErF3
| 44.164336
|
test
|
147
|
Li3NbS4
| 6.868286
|
test
|
148
|
NaHg
| 6.267696
|
test
|
149
|
NiPd3
| 40.083501
|
test
|
150
|
P3N5
| 87.098713
|
test
|
151
|
NbBiO4
| 4.764576
|
test
|
152
|
WBr4O
| 8.615554
|
test
|
153
|
Ca(MnP)2
| 49.241843
|
test
|
154
|
TlInSe2
| 10.944513
|
test
|
155
|
AlGeRu2
| 93.47519
|
test
|
156
|
BCl3
| 0.460554
|
test
|
157
|
Mn(AsO2)2
| 19.277937
|
test
|
158
|
CsMgF3
| 36.132136
|
test
|
159
|
MgWO4
| 70.083807
|
test
|
160
|
Sc2CuTc
| 48
|
test
|
161
|
HfCu3
| 22.59419
|
test
|
162
|
AlCu
| 66.761069
|
test
|
163
|
Cs(FeAs)2
| 26.325452
|
test
|
164
|
Li3NbO4
| 90.877563
|
test
|
165
|
NbRu3
| 128.478267
|
test
|
166
|
ScAlAg2
| 25
|
test
|
167
|
Li2InPd
| 18.411706
|
test
|
168
|
FeF4
| 14.760113
|
test
|
169
|
Mn2CoSi
| 91.371727
|
test
|
170
|
HfB
| 82.07405
|
test
|
171
|
Sc2OsPd
| 60.70294
|
test
|
172
|
ZnCO3
| 49.28643
|
test
|
173
|
VRu
| 75.948908
|
test
|
174
|
Zr3(Cu2Si)2
| 75.135352
|
test
|
175
|
Al3Ir
| 48.974051
|
test
|
176
|
AlHO2
| 79.852478
|
test
|
177
|
PtO
| 38.69823
|
test
|
178
|
Pm2ZnAg
| 23
|
test
|
179
|
YAl3O6
| 34.58209
|
test
|
180
|
YHg
| 26.53858
|
test
|
181
|
Hf2N2O
| 80.927383
|
test
|
182
|
TaFeRu2
| 105.041979
|
test
|
183
|
Tc3Pd
| 146.176057
|
test
|
184
|
Mg2Pd
| 28
|
test
|
185
|
Mn3NiO8
| 56
|
test
|
186
|
CuNi2Sb
| 25.644083
|
test
|
187
|
TiCd
| 19
|
test
|
188
|
HoFeO3
| 84.153218
|
test
|
189
|
Sc2TlCd
| 21.715487
|
test
|
190
|
HfTiO4
| 72.274447
|
test
|
191
|
Li3BO3
| 41.351016
|
test
|
192
|
LiRuN
| 58
|
test
|
193
|
Y2Si2Rh
| 62.556697
|
test
|
194
|
Ti2NiMo
| 78.793216
|
test
|
195
|
LuRu3
| 49
|
test
|
196
|
Sc6Te2Os
| 32.012092
|
test
|
197
|
Li7NbN4
| 64.392219
|
test
|
198
|
HoNiSb
| 56
|
test
|
199
|
NbGaCo2
| 79.291117
|
test
|
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