mp_ID
stringlengths
4
10
x
float64
-10.28
17.7
y
float64
-12.01
23.9
z
float64
-8.99
7.96
type
stringclasses
2 values
formula
stringlengths
2
26
n_atoms
int64
1
444
spacegroup
int64
1
230
volume
float64
5.61
20.1k
mp-28066
2.129807
1.926328
1.574638
other
Th2Br2N2
6
129
134.89
mp-1079944
-5.382442
-4.104295
0.487669
other
Lu2Cu2As4
8
129
142.54
mp-5908
-3.060643
-3.633132
-4.06208
other
Ce2As2S2
6
129
130.72
mp-1178160
10.603807
7.923523
2.56119
other
Ho2Br2O2
6
129
126.97
mp-21122
-6.218554
-4.523284
0.672379
other
Nd2Sb4Pd2
8
129
199.76
mp-3402
1.604539
1.623595
2.452599
other
U2Te2N2
6
129
128.28
mp-20842
-7.279107
-1.790853
6.016115
other
Nd2Mn2Ge2
6
129
124.55
mp-1225840
-5.109176
-2.786989
-4.432461
original
Cu2Ag2Se2
6
129
107.23
mp-1018936
-5.724341
-3.883056
-1.132079
other
Pr2Sb2Te2
6
129
184.13
mp-754349
8.825943
1.906009
2.536484
other
Gd2O2F2
6
129
84.2
mp-1070860
1.995196
0.613284
-2.90461
other
Eu2H2Cl2
6
129
111.93
mp-1018747
-5.704265
-3.89849
-1.084459
other
La2Sb2Te2
6
129
189.41
mp-7950
11.357341
8.074041
2.784131
other
Th2Se2O2
6
129
115.34
mp-3037
11.796128
8.439178
2.547545
other
U2Te2O2
6
129
135.06
mp-22331
-5.99663
-3.573221
4.536466
other
Nd2Ti2Ge2
6
129
136
mp-567795
-8.402186
-5.150543
4.719391
other
Tm20In40Rh18
78
129
1,703.98
mp-20761
-7.715035
-3.024138
5.263979
other
La2Co2Ge2
6
129
126.53
mp-12620
8.38961
2.314842
2.683841
other
Nd2Se2F2
6
129
116.62
mp-1018800
-5.944209
-3.207277
0.642097
other
Mn2Cu2As2
6
129
87.71
mp-13962
-4.607051
-3.298445
4.355749
other
Hf2Si2Se2
6
129
110.32
mp-647604
11.764454
8.699833
2.513316
other
Pu2I2O2
6
129
152.31
mp-4247
-5.377352
-5.910196
0.523531
other
Na2Zn2Sb2
6
129
145.33
mp-542390
-8.40755
-1.633145
2.750044
other
Ho2Si4Ni20
26
129
302.05
mp-20690
-5.284075
-2.254102
5.882535
other
Nd2Fe2Si2
6
129
114.37
mp-1077470
-7.463223
-3.999489
4.151569
original
Ca2Ni2Ge2
6
129
114.56
mp-1018739
-5.654863
-5.999333
0.667091
other
K2Mn2Bi2
6
129
194.03
mp-23068
10.511402
8.115663
2.608903
other
Nd2Br2O2
6
129
128.19
mp-8452
-3.79161
-1.658127
-5.519563
other
Na2Li2S2
6
129
104.15
mp-8655
-5.69218
-2.855353
6.004394
other
Sm2Si2Ru2
6
129
120.09
mp-1091407
-4.953465
-2.673924
1.292171
other
U2Co2P4
8
129
125.95
mp-20049
-5.874447
-0.580519
1.932127
other
Li2Fe2P2
6
129
78.38
mp-21101
-5.452554
-3.85058
4.885945
other
U2Si4Pt4
10
129
173.64
mp-1079507
-5.963531
-3.899005
0.935872
other
Ce2Fe2Sb4
8
129
181.56
mp-637436
-8.30453
-5.603215
5.031753
other
Tm20In40Co18
78
129
1,559.07
mp-19943
-5.874734
-4.664417
0.86858
other
Y2Cu2Sb4
8
129
182.62
mp-1079550
-6.121193
-4.738122
0.734606
other
Pr2Sb4Au2
8
129
207.89
mp-1018740
-5.335903
-3.508077
5.933767
other
La2Co2Si2
6
129
120.47
mp-644143
-6.159133
-4.855995
0.82846
other
La2Sb4Au2
8
129
211.78
mp-1079397
-7.182716
-5.794188
3.879503
other
Ho2Zn2Sn4
8
129
187.26
mp-24204
0.852194
0.916447
-2.680854
other
Ca2H2I2
6
129
151.24
mp-1019108
-5.44104
-3.304926
6.096747
original
Sm2Co2Si2
6
129
110.25
mp-1198338
-8.362446
-5.712086
5.045734
other
Lu20In40Ni18
78
129
1,598.04
mp-4579
-5.672681
-2.896797
5.843582
other
La2Si2Ru2
6
129
129.68
mp-21339
-7.81038
-3.322073
5.156929
other
Ce2Co2Ge2
6
129
118.61
mp-21548
-8.402842
-1.64267
2.753016
other
Er2Si4Ni20
26
129
301.03
mp-1199358
-8.831867
-1.500912
2.707301
other
Nd6Si8Ni58
72
129
902.01
mp-556939
11.616047
8.587791
2.261968
other
Np2I2O2
6
129
155.04
mp-1079881
-6.065529
-4.424381
0.776274
other
Ce2Sb4Pd2
8
129
196.92
mp-1018941
-5.579196
-3.639155
-1.475861
other
Pr2Te2Cl2
6
129
168.19
mp-22446
-5.665641
-5.414367
0.872708
other
Li4Pr2Sb4
10
129
236.75
mp-1246038
2.139712
2.016217
1.351854
other
Ba2Sn2N4
8
129
148.17
mp-1078793
-7.92941
-3.979959
3.311226
other
Th2Ge4Pt4
10
129
190.74
mp-1078340
-8.313311
-4.616243
3.741014
other
Ce2Al4Pd4
10
129
192.76
mp-2468774
-4.668262
-1.61326
-5.901545
other
Li4Cu4S4
12
129
170.88
mp-754149
8.76123
1.929162
2.556276
other
Gd2O2F2
6
129
87.79
mp-1078924
-6.015418
-3.677429
0.852492
other
Ce2Ni4Sb4
10
129
199
mp-30993
10.529477
7.985536
2.63761
other
La2I2O2
6
129
166.99
mp-6973
-3.954314
-2.015268
-4.962068
other
Cs2Na2S2
6
129
181.44
mp-1018720
-5.656522
-2.293421
4.40274
other
Hf2V2Si2
6
129
94.98
mp-571100
-0.504655
1.525506
-4.79043
other
Cs2Ag2Br4
8
129
288.32
mp-4628
-4.712256
-3.283924
4.303644
other
Zr2Si2Se2
6
129
112.52
mp-20698
-6.292787
-1.749581
1.099704
other
Li2Co2As2
6
129
84.17
mp-9289
-5.508224
-2.929694
-0.672233
other
Zr2Sn2Te2
6
129
147.48
mp-20626
-6.089136
-3.38864
4.39355
other
Dy2Ti2Ge2
6
129
125.56
mp-20188
-5.35753
-4.06295
0.586158
other
Gd2Cu2As4
8
129
152.48
mp-19832
-3.725322
-1.544331
-5.057448
other
Ba2Co2S4
8
129
172.3
mp-27981
11.594523
8.611806
2.652486
other
Pu2Cl2O2
6
129
108.13
mp-22152
-5.970989
-2.408163
0.788395
other
Na2Fe2As2
6
129
110.05
mp-10152
-5.595708
-2.89764
5.755203
other
La2Si4Ir4
10
129
176.27
mp-1018895
-5.334996
-2.226654
5.874562
other
Pr2Fe2Si2
6
129
116.63
mp-1018812
-5.592426
-2.458402
2.561371
other
Nb2Ge2As2
6
129
102.87
mp-28067
2.200796
1.964908
1.722298
other
Th2I2N2
6
129
161.84
mp-10219
8.729239
2.03307
2.426117
other
Y2O2F2
6
129
79.99
mp-3208
-5.48793
-2.44742
-1.167944
other
Zr2Ge2Te2
6
129
143.27
mp-504524
9.447851
0.190656
0.697348
other
Cs4Mn4F16
24
129
393.52
mp-27823
10.330842
8.202352
2.889187
other
Sm2Cl2O2
6
129
107.09
mp-23070
9.533696
7.46209
0.284917
other
Ba2Br2F2
6
129
154.49
mp-1247334
0.963783
2.601094
1.584059
other
Mn2Pb2N4
8
129
122.54
mp-1105256
-4.127549
-3.609437
0.611428
other
La2Cu8P6
16
129
246.87
mp-22179
-5.230812
-3.330319
4.826794
other
Y2Ti2Si2
6
129
124.11
mp-606377
-8.864179
-5.62062
4.629276
other
Ce4Zn8Ru2
14
129
264.12
mp-4083
-5.57795
-4.292313
0.515959
other
Mg2Cu2As2
6
129
98.4
mp-1079204
-8.260702
-5.388285
3.173215
other
Sm2Cu4Sn4
10
129
205.9
mp-1080546
-7.914009
-4.17541
3.339976
other
La2Ge4Pt4
10
129
199.58
mp-1078860
-8.453642
-6.338678
2.485616
other
Sr2Ge2Au6
10
129
221.13
mp-1077201
-5.132524
-3.749272
0.85813
other
U2As2P2
6
129
122.42
mp-27763
1.694409
1.661
2.30283
other
U2I2N2
6
129
156.55
mp-30273
9.610682
8.105254
1.616842
other
Ac2Cl2O2
6
129
129.21
mp-8137
11.410746
8.604907
2.432201
other
Np2S2O2
6
129
97.24
mp-9937
-5.245756
-3.850432
0.797532
other
U2Sb2Se2
6
129
157.79
mp-21900
-5.790948
-2.860052
5.663628
other
Ce2Si4Ir4
10
129
170.92
mp-989192
8.705514
2.324868
1.007398
other
Sn2Cl2F2
6
129
121.08
mp-10298
-5.395456
-3.872662
4.741364
other
Sm2Si4Pt4
10
129
174.89
mp-1095106
-8.101429
-5.344676
3.249922
other
Gd2Cu4Sn4
10
129
204.37
mp-1079701
-3.101799
0.63645
2.548261
other
U2Co2C4
8
129
87.56
mp-1019105
-5.619782
-6.344472
0.726674
other
K2Mg2Bi2
6
129
202.44
mp-676378
10.108599
9.961107
3.457459
other
Sr12Ta4O22
38
129
627.3
mp-1080551
-5.858186
-3.863863
1.007018
other
U2Ni2Sb4
8
129
178.89
mp-8756
-4.731677
-3.119648
-3.974261
other
K2Li2Se2
6
129
146.04
mp-5042
-6.076271
-3.282441
4.284935
other
Y2Ti2Ge2
6
129
126.56