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-1245759
2.247831
2.206861
1.442145
other
Mg2Cd1N2
5
164
65.41
mp-1205863
8.790129
1.842494
1.114806
other
Rb2Re1F6
9
164
147.95
mp-1213694
-0.469915
1.364758
-4.69327
other
Cs3Tl2Br9
14
164
515.59
mp-1069695
-5.915303
-6.308074
0.734968
other
Sr1Mg2Bi2
5
164
161.26
mp-1225370
-8.23431
-6.461665
5.142562
other
Dy2Cd2In2
6
164
150.26
mp-1017559
-4.909262
-4.944461
0.225695
other
Eu1Zn2As2
5
164
108.64
mp-1245585
0.590089
2.465041
1.904394
other
Mn2In1N2
5
164
66.34
mp-7120
-4.408213
-4.705836
6.105035
other
Sm1Al2Si2
5
164
102.98
mp-3236
10.565531
7.975457
2.881569
other
Pr2S1O2
5
164
95.71
mp-1226212
-6.394038
-3.036446
0.699737
other
Cr1Ni1Sb2
4
164
76.46
mp-1245927
1.406218
1.720769
2.587296
other
Ti2S1N2
5
164
61.41
mp-9912
-3.856586
-4.048611
0.816072
other
Li2Ce1P2
5
164
99.3
mp-9570
-3.514489
-4.443185
0.898948
other
Ca1Cd2P2
5
164
112.57
mp-1218042
-6.901897
-0.372623
3.676677
other
Ta2Co8Mo2
12
164
148.65
mp-1220203
-8.187436
-6.449356
5.09419
other
Nd2Cd2In2
6
164
161.45
mp-1226467
10.309778
9.496951
3.79089
other
Ce1Zr2O6
9
164
108.64
mp-1227322
-6.827582
-4.529669
0.473952
other
Bi2Pd1Pt1
4
164
91.31
mp-28479
0.936383
1.128282
-3.754776
other
Sc2C1Cl2
5
164
103.45
mp-1222093
-6.704544
-10.393999
4.080776
other
Mg6Sn2Ge1
9
164
218.58
mp-1219130
-8.593656
-1.016973
5.09596
other
Sm6Ga6Co12
24
164
395.05
mp-1246647
0.68921
2.307922
2.036623
other
Li2Re1N2
5
164
57.25
mp-1218020
-4.235316
-0.37435
-3.41892
other
Ta2Fe1S4
7
164
114.01
mp-7949
8.636889
0.976853
1.105291
other
Rb2Ge1F6
9
164
139.26
mp-1048589
-3.969318
-0.17936
-4.477386
other
Ca1Ti8S16
25
164
519.4
mp-1225590
-7.853254
-6.423509
3.660565
other
Er2Ag2Sn2
6
164
149.14
mp-1227083
-6.059901
-3.11861
-2.058887
other
Ca1Mn2Te3
6
164
163.76
mp-1095424
-5.550473
-4.134912
0.460489
other
Pr4Mn2As5
11
164
270.6
mp-1245947
1.98158
2.57712
1.006978
other
Li2Pb1N2
5
164
57.58
mp-1215227
-5.414741
-2.352862
-1.439776
other
Zr1Ta1Te4
6
164
184.55
mp-28938
1.009508
2.286003
-3.993784
other
Nb6Te2Cl14
22
164
555.39
mp-1069042
-5.525096
-5.685852
0.620825
other
Eu1Zn2Sb2
5
164
132.56
mp-1018763
-5.578097
-5.535073
0.751135
other
Li3Dy1Sb2
6
164
127.24
mp-19150
11.126409
11.632954
0.312233
other
Ba5V5O15
25
164
339.45
mp-1027358
-8.305828
2.424562
-4.107522
other
Te4Mo4S4
12
164
389.15
mp-9386
-4.523557
-2.597779
-4.328681
other
Cs1Au3Se2
6
164
189.23
mp-2222947
7.005488
13.608704
-1.681822
other
Mg1Co2O4
7
164
77.83
mp-1206723
-4.288917
-3.96258
-3.881652
other
Ho1Cu1Se2
4
164
86.39
mp-1018630
-4.751993
-4.904758
0.450168
other
Ca1Be2As2
5
164
88.55
mp-1220413
-4.108633
-0.190124
-3.650475
other
Nb2Se2S2
6
164
132.4
mp-1216188
-5.730577
-3.156827
3.627066
other
Zr37Mo15P4
56
164
1,165.26
mp-1247236
4.571787
2.210522
-3.169125
other
Cr1C8N6
15
164
262.93
mp-2225359
-5.239851
-0.780481
-4.864059
other
Mg1Ni2S4
7
164
113.62
mp-1245789
4.642469
2.311309
-3.211702
other
Ru1C8N6
15
164
270.67
mp-1030393
-8.956505
2.638021
-3.96239
other
Te4Mo4Se4
12
164
400.2
mp-10521
-6.288051
-5.15758
5.206367
other
Y1Al2Ge2
5
164
105.58
mp-1029258
1.930877
1.99604
1.495349
other
Ca1Zn2N2
5
164
61.61
mp-1206487
-5.207103
-5.118892
0.44006
other
Yb1Cd2As2
5
164
122.2
mp-1207467
-4.573303
-1.597641
-6.354209
other
Zn4In1S6
11
164
238.57
mp-27377
10.331547
9.991476
3.871982
other
K4Zr5O12
21
164
308.09
mp-12673
10.871162
7.98958
2.874865
other
Lu2S1O2
5
164
75.23
mp-1206963
-4.060834
-1.333951
-5.841544
other
Mg2Ga2S5
9
164
182.46
mp-1018764
-5.578662
-5.492245
0.767786
other
Li3Ho1Sb2
6
164
126.41
mp-1220353
-7.776262
-6.995708
3.89174
other
Nd2Ag2Pb2
6
164
172.1
mp-999454
-4.892387
-0.121375
-5.2148
other
Na1V1S2
4
164
72.96
mp-3583
1.674096
1.528419
2.4452
other
U2As1N2
5
164
86.69
mp-1215869
-8.255788
-5.233379
3.120244
other
Yb4Cd2Pd6
12
164
234.25
mp-1245945
2.090845
2.317083
1.0657
other
K2Sn1N2
5
164
110.55
mp-755570
-5.357011
-1.009495
-4.51082
original
Li1Ni2S2
5
164
70.11
mp-1018640
-4.420467
-1.540923
-5.753557
other
Tm1Cu2S2
5
164
83.78
mp-754407
-4.719303
-1.08546
-5.422589
other
Li2Fe1S2
5
164
76.32
mp-1078546
8.353866
2.256313
-1.056894
other
Si1N2F6
9
164
100.51
mp-1225389
-5.52855
-1.860591
4.941308
other
Dy2Fe4Si9
15
164
215.64
mp-1044996
12.923246
12.311712
-0.432466
other
Y4V12O24
40
164
519.75
mp-1227375
-5.556015
-1.341127
4.51087
other
Be8Cr2Mo2
12
164
116.07
mp-29113
-4.59791
-4.533771
6.065537
other
Ce3Al4Si6
13
164
265.16
mp-1224997
-6.319136
-2.694197
-1.177362
other
Fe1Ag1Te2
4
164
87.58
mp-8278
-3.181483
-4.255646
0.787971
other
Ba1Mg2P2
5
164
126.38
mp-1222379
-7.954608
-4.66534
4.799084
other
Lu2Cu2Ge2
6
164
115.43
mp-1079364
8.647103
1.570308
1.149594
other
Cs2Tc1F6
9
164
167.87
mp-27501
1.241773
2.349146
-5.8843
other
Cs2Th1Cl6
9
164
307.39
mp-7432
-5.568095
-5.907384
0.678615
other
Sr1Cd2Sb2
5
164
154.41
mp-1079657
8.300196
2.224696
-1.048478
other
Ge1N2F6
9
164
115.13
mp-5739
1.742647
1.605409
2.515236
other
U2S1N2
5
164
84.84
mp-8579
-3.422094
-1.858147
-5.65967
other
Ba1Ag2S2
5
164
121.62
mp-1027492
-5.796278
1.729377
-4.564137
other
Mo4Se4S4
12
164
328.05
mp-1215525
-6.24879
-3.478058
0.714951
other
Zn1Fe1Sb2
4
164
80.14
mp-1018781
-5.521701
-5.51367
0.707014
other
Li3Sm1Sb2
6
164
131.61
mp-1206607
-1.151299
1.085161
-1.390049
other
La2As1I2
5
164
189.15
mp-1045038
11.397071
12.884676
0.051988
other
Y4Cr12O24
40
164
503.7
mp-19755
-4.011343
-0.182279
-4.484227
other
Li1Ti3S6
10
164
218.51
mp-1219372
-8.715698
-0.182829
4.519401
other
Sm4Hf2Co32
38
164
502.74
mp-5498
-5.63982
-3.699731
0.582451
other
Ca1Mn2As2
5
164
96.95
mp-1018691
2.862659
-0.427466
-2.243245
other
Eu2H3Br1
6
164
101.72
mp-18075
8.828024
1.276721
1.0936
other
Na6Ti3F18
27
164
350.01
mp-1226506
10.027432
8.788275
3.247653
other
Ce1Th2O6
9
164
128.15
mp-1206265
-0.422135
0.571162
-1.383992
other
La2Si2I2
6
164
188.63
mp-1006146
-6.058669
-6.248355
0.739893
other
Eu1Mg2Bi2
5
164
157.68
mp-1225317
-7.917254
-6.504186
3.768707
other
Dy2Ag2Sn2
6
164
151.24
mp-1079795
-4.827595
-0.913076
-5.266411
other
Ga2Fe2S5
9
164
171.94
mp-1245787
0.515559
2.584774
1.864039
other
Mn1Ni2N2
5
164
44.28
mp-1227448
-8.621199
-2.792777
2.44486
other
Ca1B4Pt6
11
164
171.1
mp-3211
10.482344
8.013362
2.943713
other
Nd2S1O2
5
164
93.13
mp-15801
12.478302
9.393694
1.976768
other
Zr3P1O2
6
164
86.5
mp-1094037
12.665925
9.674412
1.5932
other
Ti6H4O8
18
164
163.72
mp-1217625
-7.886337
-6.474225
3.711817
other
Tb2Ag2Sn2
6
164
152.07
mp-21478
-4.106886
-3.855766
0.773877
other
U1Cu2P2
5
164
84.13
mp-1218976
-5.804225
-3.492495
-2.040871
other
Sn2Ge1Te3
6
164
186.36
mp-27775
10.573217
9.467113
0.851072
other
U1Bi2O6
9
164
124.36
mp-13974
10.933651
7.858736
2.899204
other
Ho2Se1O2
5
164
84.55
mp-779654
12.87762
10.532619
2.400454
other
Na3Nb6O11
20
164
269.39