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-10105
-5.477573
-3.740504
0.714119
other
U2Te2As2
6
129
154.91
mp-1018813
-5.564488
-0.907581
1.092986
other
Nd2Co2P2
6
129
115.43
mp-23050
10.20282
8.209293
2.734502
other
Gd2Cl2O2
6
129
104.44
mp-567558
1.35556
2.737627
-5.983277
original
Cs2Ag2Cl4
8
129
253.25
mp-9915
-3.682784
-3.897971
0.847191
other
Li2Be2P2
6
129
77.88
mp-1247539
0.232255
2.479773
1.509278
other
Mo2Se2N2
6
129
100.24
mp-1018824
-5.44565
-3.975184
-0.028027
other
Np2Sb2Te2
6
129
175.06
mp-10930
8.134329
2.344229
2.810858
other
Tb2S2F2
6
129
97.82
mp-20230
11.580929
8.922602
2.752599
other
Pu2O2F2
6
129
89.4
mp-1078335
-6.745101
-5.517398
3.394039
other
Pr4Bi2N2
8
129
215.73
mp-1221644
-6.198553
-1.367946
1.847111
other
Mn2Cr2As2
6
129
78.43
mp-3992
8.115899
2.188521
2.800891
other
Pr2S2F2
6
129
110.35
mp-611623
-5.883959
-0.845417
1.433486
other
U2Co4P4
10
129
138.82
mp-21890
-5.371051
-3.39161
6.080701
other
Nd2Co2Si2
6
129
113.69
mp-1087542
-3.111531
0.452594
2.515131
other
U2Ni2C4
8
129
90.47
mp-19768
-6.713403
-1.937603
1.530113
other
Ni2As2Rh2
6
129
78.58
mp-542757
7.587241
8.705552
-0.586933
other
Eu2Cl2O2
6
129
107.76
mp-21249
-5.519322
-2.47226
5.953304
other
Y2Mn2Si2
6
129
111
mp-1019102
-5.472923
-2.511868
6.053957
other
Sm2Mn2Si2
6
129
115.69
mp-22274
-5.227095
-3.305505
4.936234
other
Ho2Ti2Si2
6
129
121.85
mp-16377
-5.453422
-3.939589
4.705846
other
Ho2Si4Pt4
10
129
170.03
mp-1245655
1.941805
1.968799
2.058971
other
Zr2Cd2N4
8
129
127.04
mp-21203
-5.490905
-3.234768
6.02912
other
Tb2Co2Si2
6
129
105.33
mp-1080079
-8.54688
-5.407019
3.756113
other
U2Al4Au4
10
129
196.2
mp-1070852
0.567737
1.759982
-4.752696
other
Yb2H2Cl2
6
129
96.46
mp-755074
11.399405
8.659406
2.587823
other
Ce2O2F2
6
129
93.32
mp-2276572
-3.124524
-3.758377
-4.434419
other
Tb2As2S2
6
129
127.22
mp-22256
-5.449644
-2.528172
6.006627
other
Nd2Mn2Si2
6
129
119.05
mp-19786
-5.697856
-2.800478
1.100153
other
U2Co2As4
8
129
144.39
mp-1018752
-5.458795
-3.605448
-1.649877
other
La2Te2Cl2
6
129
172.64
mp-1080558
-8.064678
-2.854954
4.529281
other
Nd2Ge4Ir4
10
129
183.04
mp-5962
-4.822898
-5.321539
0.339706
other
Na2Mg2As2
6
129
136.45
mp-1080619
-7.214213
-5.79733
3.800054
other
Tm2Zn2Sn4
8
129
184.5
mp-1079133
-7.157503
-5.784159
3.79003
other
Lu2Zn2Sn4
8
129
182.54
mp-22698
-5.307835
-2.184593
5.720566
other
Dy2Fe2Si2
6
129
104.16
mp-20233
-6.95926
-5.700474
3.334117
other
Ca2Mn2Sn2
6
129
150.81
mp-30195
-3.790085
-3.808626
0.801826
other
Ho2Cu2P4
8
129
132.49
mp-1080773
-6.436937
-2.417334
1.226343
other
Pr2As4Rh4
10
129
183.71
mp-1018823
-6.227177
-1.009351
1.211405
other
Ni2P2Rh2
6
129
71.15
mp-5339
-5.901406
-3.795022
-1.874116
other
Cs2Na2Te2
6
129
243.46
mp-1199385
-8.380095
-5.66223
5.038051
other
Er20In40Ni18
78
129
1,624.85
mp-989193
8.805463
2.25162
1.133937
other
Sn2Br2F2
6
129
133.18
mp-1095111
-8.281264
-5.352811
3.205997
original
Pr2Cu4Sn4
10
129
210.45
mp-13920
-6.418262
-6.400559
2.922553
other
Ba2Zn4Sn4
10
129
257.83
mp-1072082
-5.177136
-2.23953
5.756866
other
Yb2Fe2Si2
6
129
109.15
mp-1078401
-6.508418
-5.400641
0.994149
other
La2Bi4Au2
8
129
227.74
mp-554225
9.370213
0.243635
0.842809
other
Cs4Fe4F16
24
129
396.24
mp-1086656
-6.289555
-3.460324
0.828393
other
Tb2Ni4Sb4
10
129
195.9
mp-1092291
-7.957445
-3.988569
3.203698
other
Sm2Ge4Pt4
10
129
187.45
mp-22957
8.130703
1.901349
1.721284
other
Sr2Cl2F2
6
129
118.98
mp-1079959
-8.0246
-2.799534
4.60907
other
Th2Ge4Ir4
10
129
183.89
mp-1079827
-7.826514
-4.120024
3.360427
other
Ce2Sn4Rh4
10
129
218.56
mp-990436
10.699467
8.416802
3.111215
other
Sc2Cl2O2
6
129
105.38
mp-1018949
-5.518791
-6.040415
0.662375
other
Rb2Mn2Bi2
6
129
209.56
mp-1245449
-1.381129
2.303888
2.355437
other
Mn4Sb2N2
8
129
128.37
mp-9934
-3.666999
-5.641359
5.014875
other
Ba2Mg2Si2
6
129
170.61
mp-1078695
-6.157227
-4.170864
0.79988
other
Nd2Co2Sb4
8
129
190.02
mp-1080126
-5.927174
-4.699286
0.923337
other
Lu2Cu2Sb4
8
129
176.73
mp-7917
-4.172256
-2.167883
-3.225228
other
Hf2Ge2Se2
6
129
112.45
mp-7089
-5.225011
-6.179842
0.541165
other
K2Mg2Sb2
6
129
191.68
mp-1018892
-5.426303
-3.295424
6.040596
other
Pr2Co2Si2
6
129
116
mp-1019359
-5.045828
-3.689595
-1.038796
other
Th2Sb2Se2
6
129
162.1
mp-989189
10.966477
9.569789
-0.208847
other
Sb2Br2O2
6
129
129.01
mp-3217
11.853709
8.381572
2.669943
other
U2Se2O2
6
129
107.43
mp-1178454
11.298223
8.664833
2.635986
other
Ce2O2F2
6
129
93.41
mp-1071791
4.080452
3.496703
-3.83334
other
C2N2Cl2
6
129
88.62
mp-867963
-5.400817
-3.99681
4.831259
other
Pu2Si4Pt4
10
129
174.6
mp-1078705
-6.273319
-3.946571
0.846757
other
Sm2Fe2Sb4
8
129
183.75
mp-1246820
0.415264
2.296486
1.927054
other
Re2Te2N2
6
129
115.62
mp-23364
1.311653
2.646482
-5.962874
other
Cs2Li2Cl4
8
129
227.1
mp-1078968
-6.200811
-4.101645
0.904292
other
La2Co2Sb4
8
129
194.15
mp-1079380
-3.0475
0.632415
2.582329
other
Pu2Fe2C4
8
129
85.39
mp-3938
-4.853979
-2.938617
4.34646
other
Zr2Si2S2
6
129
102.55
mp-20384
-5.203701
-4.199128
0.509599
other
Ce2Ag2As4
8
129
172.37
mp-1078366
-3.502177
-2.263958
-4.887878
other
Bi4S4O2
10
129
219.68
mp-505331
-5.584541
-2.640945
5.849696
other
Ce2Mn2Si2
6
129
124.96
mp-1018786
-5.735064
-4.865599
0.715657
other
Li2Mn2Sb2
6
129
133.55
mp-600622
-0.34306
2.058517
-2.741283
other
Eu2I2O2
6
129
155.07
mp-23860
1.267637
0.928678
-3.123617
other
Sr2H2Cl2
6
129
117.82
mp-4743
-6.108809
-3.306326
4.315225
other
Er2Ti2Ge2
6
129
122.65
mp-1019358
-3.033599
-3.513164
-4.056504
other
Th2As2S2
6
129
135.34
mp-1077133
-5.507554
-3.274279
5.993494
other
Gd2Co2Si2
6
129
106.17
mp-777546
9.767491
8.898975
0.124862
other
Na2Sn2O2
6
129
123
mp-20401
-5.26843
-3.487323
5.023779
other
Hf2Cu2Si4
8
129
120.16
mp-10992
-5.404333
-4.07856
0.517674
other
Dy2Cu2As4
8
129
148.5
mp-4206
-5.364855
-3.621263
0.620415
other
U2As4Pd2
8
129
154.36
mp-20836
-6.386551
-2.351604
0.898061
other
Nd2Ni4As4
10
129
165.09
mp-10993
-5.429817
-4.014759
0.52648
other
Er2Cu2As4
8
129
145.92
mp-1018953
-5.56043
-3.447188
0.314009
other
Pu2Sb2Te2
6
129
173.77
mp-19898
-7.888493
-2.80015
5.186998
other
La2Ge2Ru2
6
129
132.9
mp-1080026
-8.131149
-5.230527
2.875677
other
Ce2Sn4Pd4
10
129
224.97
mp-1018897
-5.476581
-1.084769
1.145654
other
Pr2Co2P2
6
129
116.61
mp-505016
-4.688704
-5.482092
0.475151
other
Cs2Mn2As2
6
129
244.07
mp-20859
-5.917545
-4.684667
0.875804
other
Dy2Cu2Sb4
8
129
181.38
mp-20502
-5.829548
-4.677824
0.863069
other
Gd2Cu2Sb4
8
129
185.17
mp-1080113
-3.02944
0.607373
2.559011
other
Sc2Fe2C4
8
129
82.3
mp-1206043
-5.332599
-4.260908
0.542924
other
Tb2Ag2As4
8
129
164.6
mp-21601
-8.390963
-1.606037
2.753043
other
Tb2Si4Ni20
26
129
303.74
mp-1080746
-6.532474
-4.868148
0.879319
other
Dy2Ni4Bi4
10
129
218.01
mp-1079316
-7.992223
-3.945359
3.216781
other
Dy2Ge4Pt4
10
129
183.48