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-1009751
-2.713192
-0.299646
3.156453
other
Sc1C1
2
216
33.39
mp-13034
0.109583
2.134561
2.232482
other
Mo1N1
2
216
25.5
mp-1001789
-4.338633
-0.156891
2.781105
other
Ir1C1
2
216
24.89
mp-999485
1.824833
3.055624
0.371361
other
Zn1N1
2
216
23.42
mp-13099
2.084262
1.818126
1.684528
other
Y1N1
2
216
37.13
mp-1002181
0.331904
1.900573
1.928043
other
Tc1N1
2
216
24.19
mp-1008753
-5.366019
-3.210693
3.932906
other
Ti2Al1
3
216
62.81
mp-1204969
-7.866819
-8.02474
2.661426
other
Sm22Hg90
112
216
2,736.02
mp-2730
-5.840079
-3.377192
-2.464122
other
Hg1Te1
2
216
71.22
mp-1229288
-9.163183
-1.696114
3.073233
other
Ce15Ni32
47
216
726.89
mp-1225007
7.597363
13.302194
-1.45402
other
Fe5O8
13
216
153.72
mp-10044
-3.60018
1.553277
2.523423
other
B1As1
2
216
27.98
mp-1072399
-5.378049
-1.425747
4.704751
other
Be5Pt1
6
216
53
mp-2293
-5.265419
-2.44413
-3.642315
other
Mn1Se1
2
216
51.9
mp-567122
-7.923558
-7.299343
3.802165
other
Sm22Cd90
112
216
2,665.41
mp-2691
-5.064654
-2.864443
-4.019442
other
Cd1Se1
2
216
57.88
mp-1006880
-5.694174
-5.475106
1.585669
other
Bi1B1
2
216
42.56
mp-16365
-5.499059
-5.851851
0.6555
other
Sn1Sb1
2
216
82.79
mp-611817
9.801299
12.597424
-1.023012
other
Fe6O8
14
216
188.21
mp-1009663
-4.306345
-0.205228
3.175699
other
Re1C1
2
216
25.13
mp-1214616
-5.726999
-5.470444
3.442831
other
Ba8Ge46
54
223
1,386.2
mp-30424
-9.210012
-5.710538
2.798146
other
Zn24Au8
32
223
485.78
mp-1101930
16.686522
9.551833
7.040722
other
Mg6O6
12
223
179.46
mp-2496
-6.403829
-6.273612
1.987672
other
Cs8Sn46
54
223
1,995
mp-729
-6.339048
-0.914833
3.832802
other
Cr6Si2
8
223
89.99
mp-1664
-6.522311
-1.293994
3.628467
other
V6Pd2
8
223
111.2
mp-640551
-4.094801
-4.951351
5.655633
other
Ba8Si46
54
223
1,126.26
mp-1231
-6.548801
-0.928233
3.783822
other
Cr6Ga2
8
223
94.58
mp-1932
-6.008995
-2.114885
3.750403
other
Nb6Os2
8
223
138.27
mp-1079947
-7.988313
-4.25199
1.88527
other
Pd6N2
8
223
114.41
mp-24659
2.620204
-0.096813
-1.57205
other
U2H6
8
223
73.35
mp-2211
-6.60545
-1.156915
3.728635
other
V6Pt2
8
223
109.77
mp-557591
15.582438
5.622308
0.329728
other
Si24O48
72
223
1,258.13
mp-839
-6.529175
-1.361151
3.735268
other
V6Au2
8
223
114.31
mp-1458
-6.071551
-2.206391
3.818505
other
Nb6Ir2
8
223
138.36
mp-2663
-5.781896
-2.484374
3.55772
other
Nb6Pt2
8
223
140.18
mp-1080476
3.107464
0.328637
-2.007627
other
Fe2H6
8
223
35.44
mp-21369
12.847412
10.385089
0.174208
other
W6O2
8
223
123.52
mp-11027
-7.234775
-7.544824
1.643161
other
Cs6Hg40
46
223
1,470.55
mp-1120717
-5.976384
-2.814496
2.377395
other
V6Bi2
8
223
127.01
mp-1147675
1.436827
2.477153
-4.112932
other
Rh6Cl8
14
223
287.62
mp-30790
-5.738953
-1.443114
3.756005
other
Zr2Mo6
8
223
141.1
mp-2339
-6.314199
-3.147543
3.932078
other
Ti6Pt2
8
223
126.94
mp-30788
-6.006999
-0.964747
3.504708
other
Sn2Mo6
8
223
132.64
mp-683952
13.423658
6.150613
-1.002532
other
Si48O96
144
223
2,239.82
mp-569249
-5.401609
-2.382899
3.611723
other
Ta6Au2
8
223
141.83
mp-22068
-5.420413
-2.814922
3.335434
other
Nb6Pb2
8
223
156.34
mp-1387
-6.113542
-1.082267
3.876275
other
Al2V6
8
223
109.87
mp-1555
-5.806868
-1.335893
2.7132
other
V6Sb2
8
223
118.34
mp-2354
-5.580912
-3.16058
3.762631
other
Ti6Hg2
8
223
138.76
mp-544
-6.49057
-2.661596
4.083794
other
Ti6Ir2
8
223
124.98
mp-30186
-4.102136
-4.927559
5.672588
other
Ba6Si46
52
223
1,096.12
mp-1604
7.77229
11.043801
-0.743931
other
Pt6O8
14
223
175.87
mp-2670
-5.528607
-2.614158
3.490815
other
Nb6Ga2
8
223
139.43
mp-1079689
-6.27859
-6.734671
2.138162
other
Tl6Pt2
8
223
206.45
mp-1080016
-6.238576
-6.979617
2.127794
other
Tl6Ir2
8
223
188.59
mp-639512
15.683632
5.613732
0.349748
other
Si46O92
138
223
2,613.72
mp-186
-4.09734
-4.861655
5.679581
other
Na8Si46
54
223
1,056.6
mp-13909
-6.434744
-6.27762
2.068381
other
K8Sn46
54
223
1,947.18
mp-505570
2.834779
-0.327047
-1.663349
other
Pa8H24
32
223
302.6
mp-1078558
1.903144
2.876264
-4.627306
other
Na2Cl6
8
223
168.84
mp-1275
-5.988485
-0.96759
3.424642
other
Si2Mo6
8
223
116.91
mp-672337
-6.321319
-2.561638
3.916303
other
V2Ge6
8
223
132.52
mp-2567
-6.001972
-1.005737
3.698849
other
V6Si2
8
223
102.74
mp-27800
-5.557827
-5.341677
3.400072
other
K8Ge46
54
223
1,284.19
mp-10229
-5.464725
-2.764961
3.542137
other
Nb6Si2
8
223
134.84
mp-531
-4.093649
-4.907536
5.589233
other
K8Si46
54
223
1,088.11
mp-1080569
-6.151456
-6.95678
1.917679
other
Tl6Au2
8
223
225.84
mp-30185
-4.034338
-4.943445
5.691398
other
Ba2Si46
48
223
1,084.3
mp-30871
-5.365752
-2.666708
3.469558
other
Ta6Sn2
8
223
148.79
mp-557814
13.309791
6.131975
-1.00833
other
Si48O96
144
223
2,295.78
mp-568014
-5.362557
-2.722767
2.88706
other
Nb6Bi2
8
223
155.35
mp-1209551
-5.454589
-5.399163
3.314146
other
Rb8Ge46
54
223
1,314.58
mp-1609
-6.671937
-0.729598
3.74267
other
Cr6Ir2
8
223
98.27
mp-21342
-6.322461
-1.183945
3.814343
other
V6Sn2
8
223
120.45
mp-20685
-6.393977
-0.994425
3.771852
other
Cr6Ge2
8
223
94.16
mp-1585
-6.451231
-0.893037
3.807837
other
V6Co2
8
223
98.64
mp-1578
-6.502262
-0.960125
3.636327
other
V6Rh2
8
223
107.36
mp-1221
-6.068985
-1.038608
3.580249
other
V6Ge2
8
223
106.51
mp-801
-6.180841
-0.657945
3.546183
original
Mo6Os2
8
223
123.23
mp-446
-6.702924
-0.977925
3.627788
other
Cr6Pt2
8
223
104.07
mp-1326
-5.594116
-2.884236
3.246771
other
Nb6Sn2
8
223
150.96
mp-22060
-5.559988
-2.719978
3.539966
other
Nb6In2
8
223
151.25
mp-568564
-6.32562
-1.508505
3.90953
other
V6Cd2
8
223
121.88
mp-1373
-5.603081
-2.421966
3.407127
other
Nb6Ge2
8
223
138.31
mp-259
-5.90532
-0.957367
3.456755
other
Al2Mo6
8
223
121.37
mp-7226
-6.448509
-0.986127
3.775428
other
V6Ni2
8
223
99.88
mp-2006
-6.628105
-1.053895
3.614562
other
V6Ir2
8
223
108.03
mp-1200220
-7.463524
-3.071177
5.653205
other
Al24Ir8
32
223
476.12
mp-1630
-5.747803
-3.70703
3.83913
other
Zr6Hg2
8
223
174.79
mp-416
-6.688505
-0.636328
3.865399
original
Cr6Os2
8
223
98.44
mp-12071
-5.370883
-2.792255
3.040493
other
Ti6As2
8
223
126.64
mp-504970
2.645193
-0.087441
-1.595295
other
U8H24
32
223
296.42
mp-1545
-5.859866
-2.339356
3.69195
other
Nb6Rh2
8
223
138.31
mp-11263
-6.01756
-3.622952
4.020321
other
Zr6Au2
8
223
167.11
mp-20609
12.24217
10.453222
0.382045
other
Cr6O2
8
223
142.07
mp-1079796
-6.021887
-3.069803
3.848456
other
Ti6Pd2
8
223
129.39
mp-30830
-6.117474
-1.28642
3.966916
other
V6Pb2
8
223
127.08
mp-1079399
-6.491974
-0.602303
3.701261
other
V6Fe2
8
223
98.54
mp-11026
-7.08205
-7.623027
1.703832
other
Rb6Hg40
46
223
1,548.64