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-1094412
-4.308769
-3.747077
4.561347
other
Mg8Ti8
16
59
313.23
mp-23264
-1.270475
2.055953
-2.571562
other
Ti4I12
16
59
616.57
mp-1080198
1.936918
2.484498
1.112651
other
Pb6N4
10
59
244.48
mp-568753
-0.84569
1.092261
-3.981553
other
Tc4Br12
16
59
467.51
mp-990083
-5.187738
1.395917
-4.395702
other
Mo18S36
54
59
1,790.58
mp-1079467
-8.96572
-6.239741
2.680164
other
Y2Au6
8
59
158.93
mp-510732
8.026657
14.069758
-1.771281
other
Mn2O4
6
59
68.83
mp-1444738
-1.017251
3.053075
-3.339416
other
Cs2I2
4
59
237.67
mp-560607
10.779188
9.34158
-0.624628
other
Sb4O6
10
59
179.39
mp-1094597
-6.199563
-4.299021
3.241658
other
Zr8Sn8
16
59
374.03
mp-1025526
-8.952978
-6.157131
2.679699
other
Lu2Au6
8
59
151.31
mp-1094339
-5.013245
-3.058572
4.140749
other
Mg4Ti8
12
59
222.56
mp-1066707
1.71784
2.375042
0.245305
other
Rb2N2
4
59
115.55
mp-569683
-8.501573
-5.920841
2.0639
other
In2Au6
8
59
147.37
mp-1181516
-4.520606
-4.825464
-1.278788
other
Cu2Te2
4
59
367.2
mp-1080147
-7.913726
-1.792291
2.395979
other
Ni6Sn2
8
59
100.29
mp-600022
15.560087
5.665488
0.345699
other
Si32O64
96
59
2,158.08
mp-1044871
9.129665
13.451855
-2.009375
other
Cr8O16
24
59
328.3
mp-1181862
-4.129146
-1.592935
-5.700736
other
Cd2S2
4
59
83.76
mp-1064647
1.708298
2.368037
0.253074
other
K2N2
4
59
97.52
mp-29777
-6.863647
-4.342887
5.218751
other
Er4Ge10
14
59
284.78
mp-1038788
-7.069349
-6.07916
5.480251
other
Ce2Mg2
4
59
97.66
mp-1392387
10.97837
12.042992
2.956461
other
Ta4O10
14
59
192.59
mp-999192
-6.548647
-1.836044
3.353992
other
Si2Ni2
4
59
45.15
mp-568247
-9.034684
-6.208241
2.674023
other
Tm2Au6
8
59
153.61
mp-1094370
-7.246025
-8.985442
6.551632
other
Mg8Ti4
12
59
249.32
mp-1094736
-6.771038
-9.353717
3.393
other
Mg2Sn2
4
59
96.7
mp-570188
-1.263161
1.928964
-2.212693
other
Zr4I12
16
59
669.87
mp-623012
-6.102863
-2.824185
-2.279864
other
Cu2Te2
4
59
82.18
mp-11506
-7.469751
-0.791091
3.03757
other
Ni6Mo2
8
59
92.47
mp-1087552
-4.2769
-4.974812
-3.417204
other
Ce24Se48
72
59
6,072.67
mp-1410371
5.890994
8.901041
-1.846003
other
Bi4O10
14
59
247.13
mp-30850
-7.811497
-2.922759
2.901248
other
Ta2Pt6
8
59
125.16
mp-1094416
-4.291699
-3.774223
4.578888
other
Mg8Ti8
16
59
316.81
mp-891
-7.65131
-1.62799
2.854408
other
Ta2Ni6
8
59
96.11
mp-1094729
-6.682876
-9.603885
4.840131
other
Mg2Ga2
4
59
80.62
mp-1094396
-7.760489
-9.758825
6.672214
other
Mg6Ti2
8
59
168.5
mp-600053
15.65731
5.658372
0.372372
other
Si28O56
84
59
1,643.03
mp-1191959
-6.735879
-4.38592
5.10866
other
Nd4Ge18
22
59
485.12
mp-30386
-8.997601
-6.194143
2.64527
other
Ho2Au6
8
59
156.43
mp-1451
-7.736506
-1.639447
2.812953
other
Nb2Ni6
8
59
97.09
mp-1080348
-4.207522
-3.996227
-3.365414
other
Ce2Se4
6
59
164.97
mp-33112
2.923823
-0.529385
-1.848504
original
Sc4H10
14
59
117.4
mp-16240
-7.107801
-5.928641
1.560957
other
Ag6Sb2
8
59
155.88
mp-1238498
-6.104948
-2.847691
-2.290003
other
Cu2Te2
4
59
82.95
mp-569020
-5.792017
-5.664033
0.738983
other
In2Sb2
4
59
113.29
mp-1341203
10.961309
12.653065
1.950184
other
Ti8O16
24
59
331.43
mp-1185694
-6.123118
-6.031249
0.504262
other
Mg2Bi2
4
59
110.72
mp-982376
-7.464765
-7.789014
2.13741
other
Sr2Hg6
8
59
218.25
mp-1078699
-7.909523
-2.821236
2.760826
other
Nb2Pt6
8
59
126.04
mp-581786
-9.054759
-4.810456
3.262091
other
Cu6Sn2
8
59
111.91
mp-1397432
7.574162
10.387094
-3.781668
other
Cr4O10
14
59
192.31
mp-25279
9.719412
12.180054
-4.280508
other
V4O10
14
59
175.72
mp-1080756
-9.023605
-6.208264
2.712384
other
Er2Au6
8
59
155.02
mp-30417
-9.040087
-6.344663
2.626922
other
Sm2Au6
8
59
165.86
mp-1245680
-5.793368
-4.197318
0.58335
other
Cu6As2
8
59
102.55
mp-1094695
-7.595407
-8.46855
6.760134
other
Y2Mg2
4
59
114.72
mp-1039167
-5.891469
-9.588425
5.088718
other
Ca2Mg2
4
59
128.49
mp-1094267
-5.694596
-3.802459
3.574374
other
Zr6Sn2
8
59
179.55
mp-1189619
-5.846354
-6.322678
4.907966
other
Eu10Al10
20
59
543.69
mp-1232890
0.313862
2.137416
2.198199
other
Cr4N4
8
59
70.71
mp-1094944
-4.933652
-7.475091
3.76864
other
Sr2Mg2
4
59
153.29
mp-23312
-1.166668
1.442545
-4.21582
other
Mo4Br12
16
59
493.9
mp-1094383
-4.382772
-3.705569
4.550665
other
Mg4Ti4
8
59
156.32
mp-1412716
12.160783
10.967777
-2.583305
other
Mo4O10
14
59
211.18
mp-1232659
11.360076
12.554756
0.060017
other
Mn4O4
8
59
85.91
mp-19724
-9.139802
-4.43227
3.622922
other
Cu6Ge2
8
59
98.7
mp-1077
-8.318512
-0.165087
4.623482
other
B4Ru2
6
59
53.88
mp-568064
-7.085585
-5.700129
3.624477
other
Dy4Sn10
14
59
367.89
mp-1064529
1.717582
2.375562
0.244746
other
Rb2N2
4
59
115.94
mp-12802
-9.25962
-4.389426
3.931507
other
Al2Cu6
8
59
96.14
mp-20900
-6.158463
-4.467028
0.944283
other
Cu6Sb2
8
59
119.02
mp-1079681
-8.844802
-6.088555
2.565655
other
Zr2Au6
8
59
146.15
mp-600083
15.616755
5.650038
0.355053
other
Si60O120
180
59
3,640.24
mp-1044574
10.213072
9.827001
-0.675127
other
Sb8O16
24
59
477.48
mp-726720
5.961081
5.296666
-4.344207
other
N4O6
10
59
181.01
mp-1341046
-4.763716
-0.254594
-5.509843
other
Cr4S10
14
59
382.13
mp-1039164
-7.061424
-7.992693
3.073801
other
Mg2Cd2
4
59
85.3
mp-12546
-9.435178
-4.466903
4.022697
other
Ti2Cu6
8
59
100.74
mp-754670
10.036718
12.329065
-4.306788
other
V4O10
14
59
262.52
mp-1094956
-8.047379
-9.652899
4.402831
other
Mg2Zn2
4
59
74.45
mp-561351
15.655464
5.661662
0.370462
other
Si24O48
72
59
1,299.93
mp-669692
-8.306563
-4.443963
2.256974
other
Nb6Pd18
24
59
370.07
mp-624689
9.83059
12.704012
-4.198855
other
V4O10
14
59
189.16
mp-1178600
1.168759
1.570535
2.682782
other
Zr2N4
6
59
69.13
mp-1376600
-4.509498
0.075274
-4.888723
other
V4S10
14
59
391.32
mp-30106
2.316941
2.57495
-4.480501
other
As2Cl10
12
59
357.37
mp-1402032
9.790672
9.975698
-1.6566
other
Sb4O10
14
59
197.75
mp-1101074
8.574474
1.424825
2.085266
other
La2F6
8
59
104.42
mp-672371
-6.796548
-1.98064
1.298952
other
Ni6Sb2
8
59
100.16
mp-568823
-8.661669
-6.159598
2.490036
other
Yb2Au6
8
59
157.96
mp-23294
-0.329042
1.207144
-4.206295
other
Ru4Br12
16
59
448.57
mp-1094261
-6.213332
-4.312701
3.24217
other
Zr4Sn4
8
59
199.35
mp-1094715
-5.560383
-5.908932
0.420412
other
Mg2Sb2
4
59
101.26
mp-1094277
-5.731775
-3.925211
3.458397
other
Zr8Sn4
12
59
276.81
mp-1078801
-1.016831
3.053389
-3.337989
other
Cs4I4
8
59
473.89
mp-1182630
-7.171405
0.755614
3.674303
other
Fe12C4
16
59
165.85
mp-2850
-7.662374
0.204982
4.381052
other
B4Os2
6
59
55.15
mp-570880
1.999967
2.695031
-4.57933
other
Ru4Cl12
16
59
385.84
mp-1094703
-6.21434
-4.239924
3.221889
other
Zr2Sn2
4
59
95.3