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-570196
-5.50978
-3.432907
2.225652
other
Zr10Sb8
18
193
400.7
mp-11854
-7.166106
-4.655374
5.693171
other
Er10Ge6
16
193
382.87
mp-22337
-6.253993
-3.570791
4.254002
other
Hf10Ga6
16
193
310.15
mp-1189715
-9.114871
-5.837283
6.37605
other
Er10Ir6
16
193
364.93
mp-1190342
-8.797631
-5.571586
5.834933
other
Lu10Pt6
16
193
351.31
mp-1190215
-5.145574
-4.261222
5.774917
other
Sc10Si6
16
193
337.81
mp-1464
-6.747305
-4.908192
5.743473
other
Nd10Ge6
16
193
454.87
mp-2361
-5.99459
-3.488086
4.437015
other
Hf10Al6
16
193
320.58
mp-979912
-6.677701
-6.566563
3.411451
other
Yb10Sn6
16
193
505.31
mp-570774
-5.84368
-3.308725
4.352705
other
Zr10Al8
18
193
357.21
mp-1080865
-4.251081
-4.985054
-3.405905
other
Ce12Se24
36
195
3,225.54
mp-560836
15.229157
5.730511
0.117872
other
Si12O24
36
195
679.92
mp-11875
5.001646
3.763525
-4.519058
other
C4O4
8
198
212.11
mp-1431
-6.162765
-0.814563
4.261738
other
Mn4Si4
8
198
90.17
mp-11224
-5.284953
-6.82988
4.013428
other
Sr32Al28
60
198
2,061.46
mp-1483
-6.95142
-2.223573
4.409631
other
Si4Rh4
8
198
102.9
mp-20861
-6.498007
-1.125202
3.985996
other
Cr4Ge4
8
198
108.36
mp-1079910
-6.025701
-1.423283
4.46796
other
Si4Tc4
8
198
106.91
mp-21328
-6.271
-4.155663
3.422239
other
Hf4Sn4
8
198
182.09
mp-779689
8.868099
1.261673
-3.863495
other
H12N4
16
198
152.05
mp-1078464
-6.847964
-1.133699
4.142338
other
Mn4Ge4
8
198
105.49
mp-1080659
-5.235889
-0.324483
3.115982
other
Os4C4
8
198
89.07
mp-1147651
-8.117382
-5.748445
2.299728
other
Sn4Au4
8
198
183.83
mp-10692
-7.269885
-1.022194
3.23288
other
Co4Ge4
8
198
96.04
mp-317
-8.151733
-2.97728
3.024642
other
Sn4Rh4
8
198
137.45
mp-8675
-8.004795
-5.838327
1.828752
other
Hg4Pd4
8
198
150.85
mp-7189
-8.344493
-4.427617
2.747539
other
Al4Pd4
8
198
115.2
mp-1490
-8.525771
-5.858063
2.222971
other
Al4Au16
20
198
339.82
mp-30365
-8.564075
-5.655844
2.48218
other
Be4Au4
8
198
102.96
mp-1079914
-5.579792
-3.509085
2.206809
other
Hf4Sb4
8
198
176.28
mp-30429
-5.141483
-6.970416
3.459057
other
Ba32Ga28
60
198
2,230.37
mp-27233
-5.302222
-6.728083
4.049125
other
Sr32Al32
64
198
2,085.78
mp-7577
-6.515384
-0.800969
3.642568
other
Co4Si4
8
198
84.21
mp-7948
-6.026243
-1.441908
4.37886
other
Re4Si4
8
198
108.8
mp-10904
-8.008121
-3.331758
3.070515
other
Al4Pt4
8
198
116.14
mp-1204001
-5.210297
-7.033403
3.862775
other
Sr36Al24
60
198
2,204.03
mp-1025397
-7.343719
-1.733662
3.993225
other
Ge4Ru4
8
198
114.6
mp-189
-6.79763
-1.798946
4.964059
other
Si4Ru4
8
198
104.39
mp-7576
-6.145177
-1.157346
4.379158
other
Cr4Si4
8
198
97.31
mp-1095177
-6.723784
-1.752745
3.299416
other
Si4Ni4
8
198
91.35
mp-30667
-5.50136
-7.083275
3.708655
other
Sr32Ga28
60
198
1,926.96
mp-1025551
-8.01504
-3.615899
3.003658
other
Ga4Pt4
8
198
119.23
mp-1221446
6.058346
4.647511
-4.052557
other
N8O4
12
198
180.35
mp-8059
15.436913
5.746041
0.33495
other
Si8O16
24
198
355.16
mp-1096919
0.694487
3.068218
1.559771
other
Cr8N16
24
198
485.02
mp-1182885
-9.324644
-4.450123
3.915384
other
Al4Cu16
20
198
243.39
mp-871
-6.448743
-0.391781
3.597938
other
Fe4Si4
8
198
85.31
mp-29145
8.958318
1.298811
-3.882505
other
H12N4
16
198
126.62
mp-1014297
5.942608
3.236847
-3.007083
other
C12N4
16
198
207.01
mp-21255
-6.696217
-0.677056
3.620858
other
Fe4Ge4
8
198
104.87
mp-1078526
-8.562936
-4.490417
2.461668
other
Ga4Pd4
8
198
117.88
mp-1246292
-5.90924
-4.287473
0.585088
other
Cu16As4
20
198
261.68
mp-569671
-5.581334
-3.518641
2.148327
other
Zr4Sb4
8
198
182.36
mp-23276
1.083678
2.281129
-5.454761
other
In32Cl32
64
198
1,875.73
mp-2488
-6.473297
-1.787447
4.841812
other
Si4Os4
8
198
108.26
mp-20866
-8.040352
-2.350122
3.38169
other
Ge4Rh4
8
198
118.25
mp-12651
-8.084534
-3.943768
2.840217
other
Mg4Pt4
8
198
128.2
mp-758523
-7.713504
-7.487902
1.932064
other
Ag4Hg4
8
198
169.25
mp-1199262
-5.561898
-7.062763
3.692244
other
Sr32Ga32
64
198
1,996.26
mp-636934
9.462673
8.61059
-0.710022
other
Bi12O18
30
197
635.75
mp-680604
-7.621631
-6.999763
3.129716
other
Yb12Cd72
84
197
1,978.46
mp-32597
9.514168
8.614472
-0.599571
other
Bi13O20
33
197
544.48
mp-1080359
-4.274708
-4.926168
-3.408695
other
Ce12Se24
36
199
2,271.98
mp-1182678
8.130706
12.869383
-1.296675
other
Mn16O24
40
199
776.69
mp-1079612
7.93353
1.429866
-3.7283
other
H4C4
8
199
40.28
mp-1205821
-7.520157
-5.611827
5.924092
other
La4Co4
8
199
169.03
mp-1097796
0.229667
2.118238
2.247443
other
Cr24N16
40
199
382.63
mp-1080107
-7.551175
-1.921618
4.581261
other
U4Co4
8
199
122.67
mp-608071
5.875519
5.127106
-4.365857
other
N6O12
18
199
374.62
mp-556537
14.949726
5.851426
-0.065346
other
Si12O24
36
199
527.45
mp-1196954
7.354403
8.625151
-1.736835
other
Yb16O24
40
199
613.83
mp-1219936
7.86693
10.891842
-0.850471
other
Pd7O8
15
200
190.72
mp-1080771
2.092665
2.811954
-4.381276
original
Na1Cl7
8
200
210.11
mp-640333
-5.658836
-7.14105
1.74957
other
K49Tl108
157
200
5,620.36
mp-1196981
-7.982256
-4.993482
5.036485
other
Sc114Pt26
140
200
3,049.72
mp-1210377
-7.843361
-4.881876
5.204601
other
Sc114Ru26
140
200
2,994.36
mp-28905
5.672675
2.219556
-2.886437
other
Sr6C120
126
200
1,407.77
mp-30526
-6.738223
-2.348268
6.280645
other
Mn24Al114
138
200
2,054.52
mp-30702
-7.56223
-5.123067
5.240498
other
Sc116Fe24
140
200
2,959.66
mp-30863
-7.89638
-4.920272
5.1401
other
Sc114Rh26
140
200
3,012.74
mp-1201561
-8.117758
-4.784069
5.10121
other
Sc114Ir26
140
200
2,990.85
mp-1203422
-7.497602
-6.975379
2.561281
other
Na6Cd33
39
200
890.73
mp-30784
-9.325538
-5.848752
3.508645
other
Mg6Zn33
39
200
595.19
mp-557118
15.252262
5.825655
0.24946
other
Si4O8
12
20
164.09
mp-29774
-6.962451
-4.407232
5.517783
other
Ho28Ge46
74
20
1,591.27
mp-31430
-5.658558
-7.265001
2.970523
other
Na16In8
24
20
700.64
mp-1211472
-6.91609
-4.570947
5.415591
other
La8Ge14
22
20
542.9
mp-1096910
0.680528
3.11275
1.533839
other
Cr4N8
12
20
205.34
mp-1191192
-6.871251
-4.461701
5.489841
other
Sm8Ge14
22
20
490.11
mp-568328
-4.694037
-1.675717
1.120915
other
Fe2P8
10
20
140.15
mp-1080291
-4.259985
-4.983934
-3.421657
other
Ce4Se8
12
20
726.91
mp-30795
-5.74779
-7.425578
2.857921
other
Na16Tl8
24
20
710.15
mp-7648
15.551514
5.706844
0.350063
other
Si4O8
12
20
185.71
mp-29778
-6.855019
-4.463566
5.416718
other
Nd8Ge14
22
20
507.84
mp-1097738
0.698662
3.059395
1.560065
other
Cr4N8
12
20
255.08
mp-634812
10.772929
3.392399
-4.104181
other
H8O4
12
20
98.15
mp-568347
-4.537153
-0.84433
-3.073837
other
Nb4Se8
12
20
410.29
mp-867190
-6.749832
-4.356088
5.307525
other
Pr8Ge14
22
20
518.33
mp-1213848
-6.997375
-4.628363
5.160543
other
Ce8Ge14
22
20
514.56
mp-600049
15.564782
5.68189
0.373636
other
Si16O32
48
20
869.6