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-19807
-6.832195
-1.170655
2.328738
other
Co3Sn2S2
7
166
108.06
mp-1225726
-0.544883
1.693397
-4.426108
other
Cu4I1Br3
8
166
163.83
mp-1217025
1.241755
1.694005
2.560185
other
Ti1Al1N2
4
166
36.31
mp-1002123
-3.676111
-1.550369
-4.940763
other
K1Zr1S2
4
166
89.98
mp-1101447
11.785421
8.902881
1.84619
other
Nd1Y1O2
4
166
61.42
mp-1188910
-7.697896
0.89222
5.116763
other
Sm2Ga2Fe15
19
166
261.6
mp-8308
-9.27329
-0.836821
2.854777
other
Ca3Ni7B2
12
166
158.85
mp-1227053
-4.892192
-3.153203
-3.943987
other
Ca1Mn1Se2
4
166
92.48
mp-8609
10.111198
11.510676
0.57226
other
Li6U1O6
13
166
147.16
mp-753260
9.479478
8.993878
2.50666
other
La1Ag1O2
4
166
77.43
mp-1216653
-2.988968
0.040053
2.718627
other
U1Nb1C2
4
166
51.92
mp-1222370
-2.689561
-2.653202
-5.6835
other
Li1Gd1S2
4
166
83.56
mp-38972
9.87004
10.694865
1.002118
other
Ba3Re2O9
14
166
199.12
mp-1007908
-6.009632
-3.803467
-1.825657
other
Dy1Tl1Te2
4
166
139.24
mp-1043628
10.420328
9.494112
0.076319
other
Zn1Sn4O8
13
166
196.02
mp-3960
10.928193
9.23906
1.802977
other
Ca1U1O4
6
166
76.37
mp-14116
8.252021
11.582263
-0.71761
other
Cu1Rh1O2
4
166
46.91
mp-20458
8.510302
1.897544
-0.502101
other
Pt1Pb1F6
8
166
108.81
mp-15791
-2.6236
-2.711428
-5.78388
other
Li1Er1S2
4
166
79
mp-1077874
10.711452
11.747814
0.389403
other
Tm1Fe2O4
7
166
88.43
mp-567249
-9.028112
-1.396477
2.762125
other
Gd1Mg2Ni9
12
166
160.03
mp-1216658
-3.321377
-4.118427
-2.966971
other
Tm5Te1Se4
10
166
235.63
mp-2218942
8.533615
14.734199
-0.991472
other
Mg1Mn4O8
13
166
157.21
mp-1221939
17.24752
9.67708
7.297318
other
Mg1Zn1O2
4
166
39.68
mp-1219049
-3.820861
-4.164265
-3.690073
other
Sm1Eu1Se2
4
166
107.16
mp-38816
-3.91512
-0.147998
-4.559069
other
Mg1Ti4S8
13
166
246.22
mp-1072391
-7.911701
-2.930533
4.872644
other
Pr2Si1Rh3
6
166
110.05
mp-4280
11.833454
8.475372
-0.461768
other
Ga1Cu1O2
4
166
43.79
mp-578604
11.252044
12.919026
0.017704
other
Na1Cr1O2
4
166
40.7
mp-1410942
-5.216444
-0.688452
-5.079069
other
Mn4Zn1S8
13
166
239.27
mp-1411261
-4.716419
0.288864
-4.746536
other
Mg1V4S8
13
166
236.57
mp-1437358
10.297615
13.188734
-0.489383
other
Al2Fe4O8
14
166
147.36
mp-1188210
-8.077399
0.680637
4.855649
other
Ce2Fe12Co5
19
166
256.89
mp-1224384
0.840812
1.503428
2.718514
other
Hf4C1N3
8
166
93.86
mp-999470
-2.611718
-2.703917
-5.698102
other
Na1Nd1S2
4
166
97.35
mp-754777
9.535757
8.45797
2.788761
other
Na1La1O2
4
166
65.92
mp-3664
-2.796563
-2.591706
-5.716337
other
Nd1Tl1S2
4
166
112.73
mp-1225045
-7.517817
-3.62275
6.054255
other
Er2Al3Co1
6
166
109.72
mp-9488
8.660635
1.968758
2.479656
other
Sm2O2F2
6
166
85.19
mp-12695
-9.068286
-1.343085
2.797791
other
Ca1Mg2Ni9
12
166
160.08
mp-567970
-2.405667
0.228699
2.457865
other
Hf3Al4C6
13
166
156.44
mp-1223966
-7.600634
-0.251407
5.830262
other
Ho2Al1Fe3
6
166
102.88
mp-23751
3.324723
-0.673054
-2.590801
other
Cs3Mg3H9
15
166
249.59
mp-1215472
-2.85763
-3.323112
-4.799753
other
Yb1Tm1S2
4
166
84.12
mp-1221803
-6.050423
-2.887325
-1.980722
other
Mn1Ge1Te2
4
166
90.33
mp-1221385
0.618275
1.525784
-4.829512
other
Na2Br1Cl1
4
166
95.61
mp-637213
-1.031012
1.044914
-1.664677
other
La2Ge1I2
5
166
194.85
mp-1226839
-7.631061
-0.247288
5.742059
other
Ce2Al1Fe3
6
166
104.13
mp-552120
10.563175
8.072118
2.842917
other
Y2Cl2O2
6
166
118.74
mp-541073
-2.285902
-1.259311
-3.976266
other
Sm2S2I2
6
166
203.27
mp-756971
10.723345
11.728581
0.366623
other
Dy1Fe2O4
7
166
91.35
mp-573316
-4.813419
-2.23201
-3.215412
other
Cs2Pt4Se6
12
166
345.98
mp-776732
10.263352
1.861221
2.19954
other
Li2Fe3F8
13
166
168.58
mp-1106057
-8.013565
0.661909
3.753517
other
Dy1Co12B6
19
166
188.14
mp-1217904
-3.955786
-0.304409
3.066568
other
Ta1Ti1C2
4
166
42.7
mp-1080467
-3.615542
-4.426308
0.782097
other
K1Cd4P3
8
166
197.16
mp-566257
12.763023
11.896224
-0.473464
original
Li4Mo3O8
15
166
171.51
mp-8667
-3.143854
1.393941
2.737215
original
Ce3B6C3
12
166
142.21
mp-637182
-7.095227
-4.851671
6.289105
other
Gd3Al7Ag2
12
166
234.89
mp-8111
8.705894
1.950455
2.435392
other
La2O2F2
6
166
95.18
mp-3535
-2.947902
-2.464626
-5.190785
other
Rb1Ce1S2
4
166
120.49
mp-1178453
11.877086
8.896486
1.902123
other
Ce1Pr1O2
4
166
64.26
mp-754555
9.944635
8.530967
2.672351
other
Ho1Tl1O2
4
166
67.94
mp-1225037
-7.36024
-4.570354
6.352179
other
Er2Al3Ga1
6
166
115.71
mp-38605
-5.974538
-3.650917
-1.975706
other
Sn1Bi2Te4
7
166
246.68
mp-29678
-4.011018
-1.845348
-5.282318
original
Ag1Bi1S2
4
166
90.47
mp-1226877
-4.532631
-3.226614
-4.01977
other
Cd1Pb3Se4
8
166
228.37
mp-1215167
-4.041832
0.06099
2.915338
other
Zr1W1C2
4
166
46.64
mp-1215523
-3.039173
-3.643905
-3.90975
other
Yb1Sm3S4
8
166
181.42
mp-1220883
-5.81311
-3.570439
-2.052924
other
Na1Sb1Te2
4
166
126.86
mp-1274527
12.959896
12.472937
-0.678454
other
V4Fe2O8
14
166
157.02
mp-27126
1.56937
2.453135
-5.499842
other
Na2Mn3Cl8
13
166
310.66
mp-1102168
-7.741215
-0.365438
3.606229
other
V3Co6Ni3
12
166
131.47
mp-754030
8.309697
12.148253
-0.745731
other
Zn3Ni7O10
20
166
192.24
mp-1225429
-6.471755
-5.691658
5.419952
other
Eu2Al3Ag1
6
166
131.51
mp-504711
7.151127
13.592677
-1.804659
other
Co1Cu1O2
4
166
40.35
mp-1219144
-3.534309
-4.293401
-3.515747
other
Sm2As1Se1
4
166
104.08
mp-1007900
-3.38124
-1.936497
-5.420056
other
Eu1Tl1S2
4
166
111.63
mp-1188906
-8.688973
-0.239035
4.571384
other
Sm2Ga2Co15
19
166
251.26
mp-1006891
-4.317163
-4.152391
-3.781694
other
K1Sm1Se2
4
166
121.13
mp-10226
-2.668898
-2.610567
-5.7331
other
Na1Y1S2
4
166
90.35
mp-1246548
0.416787
2.736875
1.853972
other
In1Fe2N2
5
166
63.21
mp-1386972
12.804521
13.347569
-1.073766
other
Ca1V4O8
13
166
171.83
mp-1095228
-3.501158
1.374763
2.844239
other
Pu3B6C3
12
166
136.84
mp-1227103
8.165294
9.152052
-1.236797
other
Ca1Nb4O14
19
166
302.54
mp-1190738
-7.671975
1.036684
4.754126
other
Dy2Fe17C3
22
166
269.08
mp-1216540
-2.855814
-2.566483
-5.910688
other
Tm1Ag1S2
4
166
84.7
mp-1226767
-7.883233
-1.666148
4.798081
other
Ce2Co1Ru3
6
166
104
mp-1387732
-5.092586
-0.681825
-4.398499
other
Ca1Fe4S8
13
166
248.2
mp-758836
10.199157
12.934312
1.383753
other
Li4Ti3O8
15
166
145.03
mp-1181563
-6.868942
-2.016486
6.339431
other
Eu2Mn5Al12
19
166
313.31
mp-1178530
2.545655
2.712156
-5.004739
other
Be2Cl2O2
6
166
87.08
mp-3748
12.47436
7.694579
-0.090328
other
Al1Cu1O2
4
166
39.51
mp-755010
7.285153
8.651068
-1.340053
other
K1Yb1O2
4
166
65.14
mp-1387047
12.465976
11.639275
2.008301
other
Ca1Ti4O8
13
166
173.68
mp-20708
-5.545199
-1.39661
-3.437039
other
In2Ni3S2
7
166
112.55
mp-1220283
-7.980582
-1.825368
4.735387
other
Nd2Pd1Ru3
6
166
114.92
mp-4026
-5.215523
-0.59946
-5.61244
other
K1Cr1S2
4
166
81.74
mp-1225556
-7.85375
0.085394
5.740593
other
Er2Fe3Cu1
6
166
94.25
mp-1102345
6.893861
10.623947
-1.715034
other
Cu4Cl2O6
12
166
155.8