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-1209274
-4.295013
-6.78602
2.371106
other
Rb4Re4
8
141
180.86
mp-30065
12.922439
11.455214
-0.671882
other
V26O32
58
141
917.32
mp-862
-3.984756
-5.172664
5.6303
other
Ca2Si4
6
141
122.52
mp-1077017
-6.291917
-1.793001
4.178292
other
Hf2V4
6
141
100.06
mp-698212
-9.237556
-5.959495
4.343279
other
Ce6Zn44
50
141
839.29
mp-21298
-4.774498
-4.069066
5.734913
other
Np2Si4
6
141
111.54
mp-2062
-4.800513
-4.286005
5.998609
other
La2Si4
6
141
131.05
mp-884
-4.832418
-4.286092
6.118062
other
Nd2Si4
6
141
125.15
mp-30682
-6.407018
-3.392176
4.101934
other
Zr4Ga4
8
141
153.66
mp-1219477
-5.637928
-3.990788
-1.353293
other
Sb4Te2
6
141
193.03
mp-754403
10.808805
10.028321
3.771144
other
Zr2O4
6
141
86.19
mp-390
10.599147
12.488626
2.004067
original
Ti2O4
6
141
68.78
mp-1080295
-4.272617
-4.538875
-3.428407
other
Ce2Se4
6
141
211.8
mp-23215
1.351696
1.973301
-4.939299
other
Th2Cl8
10
141
276.84
mp-684732
-5.585722
-0.650934
-3.989478
other
Co16S24
40
141
602.84
mp-567814
-9.213534
-5.767864
4.00095
other
Pu6Zn44
50
141
833.89
mp-2067
-7.332726
-5.040329
5.504144
other
Th2Ga4
6
141
133.06
mp-2611
-5.570349
-5.957824
3.631999
other
Ba2Ge4
6
141
170.45
mp-1102067
-6.733684
-4.790167
2.828362
other
Pu4Sn8
12
141
314.16
mp-555521
15.629501
5.633392
0.353251
other
Si32O64
96
141
1,879.2
mp-12770
-4.697568
-4.265862
6.160216
other
Dy2Si4
6
141
114.15
mp-1200584
-9.367462
-6.016856
4.391157
other
La6Zn44
50
141
835.22
mp-553993
15.576278
5.639011
0.312248
other
Si16O32
48
141
1,026.79
mp-25332
5.105422
10.711484
-2.501012
other
Fe2O4
6
141
69.02
mp-642659
2.985281
-0.238544
-1.587547
other
V8H4
12
141
114.21
mp-1212170
-6.892745
-7.128845
3.075772
other
Sr8Cd22
30
141
958.28
mp-1080525
-6.451143
0.762597
3.647537
other
Fe4B4
8
141
65.26
mp-7832
-5.40028
0.348776
3.263573
other
B4W4
8
141
82.95
mp-2831205
-4.627859
-1.60026
-5.599398
other
Cu4S2
6
141
93.41
mp-600016
15.710419
5.610012
0.411211
other
Si16O32
48
141
969.55
mp-714969
12.905728
11.093347
-0.991273
other
Mo4O8
12
141
183.34
mp-672388
-6.300214
-6.115443
4.894401
other
Th2Pb2
4
141
123.8
mp-23161
1.45957
2.376803
-4.825057
other
Np2Cl8
10
141
268.66
mp-685120
-4.785893
-2.928447
-4.24502
other
Al16Se24
40
141
902.54
mp-1220020
-3.686605
-3.931968
0.849536
other
P4Se2
6
141
108.35
mp-1071980
1.268222
2.249612
0.155615
other
Sr2N4
6
141
165.77
mp-1207687
-6.662172
-4.624793
4.184915
other
Zr8In12
20
141
488.98
mp-1211218
-6.974777
-6.961103
3.370228
other
Sr8Zn22
30
141
816.59
mp-1898
-4.881612
-4.379337
5.967758
other
Ce2Si4
6
141
122.17
mp-1071768
-6.905263
-4.429051
5.377845
other
Tb2Ge4
6
141
133.88
mp-1101174
0.566929
2.660615
1.918736
other
W2N4
6
141
76.46
mp-1077147
-4.728748
-4.205513
6.168542
other
Ho2Si4
6
141
114.75
mp-29537
6.472119
5.56675
-3.446022
other
Cl8O4
12
141
266.62
mp-714960
11.805561
13.612234
-2.307513
other
V4O8
12
141
147.27
mp-1191536
-9.448508
-5.868116
3.913523
other
Eu2Zn22
24
141
376.11
mp-1221594
6.654173
9.010286
-2.943438
other
Mn2O8
10
141
163.78
mp-1217320
-5.185239
-3.790371
-1.65851
other
Te2As4
6
141
148.77
mp-640370
-9.345098
-5.786772
4.18461
other
Ce2Zn22
24
141
374.18
mp-11722
-6.783921
-4.304925
5.234729
other
Pr2Ge4
6
141
140.17
mp-9830
-5.148394
-2.103593
2.375247
other
Nb2P2
4
141
64.81
mp-600078
15.679612
5.610304
0.379664
other
Si18O36
54
141
1,101.83
mp-1102064
-5.437468
-5.655945
5.272578
other
Mg4Al8
12
141
221.37
mp-2398
-7.267778
-5.631527
3.568618
other
Sc4Sn8
12
141
282.4
mp-23160
-0.322233
0.595306
-3.56196
other
Th2Br8
10
141
327.9
mp-697085
10.359674
3.694915
-4.047645
other
H8O4
12
141
72.96
mp-1066771
-5.257464
-3.518212
4.324
other
Zr2Si2
4
141
75.51
mp-1102891
-6.189238
-5.777049
0.85379
other
Eu4Bi8
12
141
375.49
mp-1087242
-4.269006
-4.976616
-3.418744
other
Ce16Se32
48
141
5,010.05
mp-13444
-6.51156
-6.673201
2.597637
other
Li6Sn6
12
141
251.66
mp-567705
-6.093826
-2.692956
5.141536
other
Ti4Al8
12
141
188.3
mp-1278937
6.002969
13.217312
-2.598253
other
Co4O8
12
141
126.98
mp-1210741
-6.612022
-4.751273
2.620058
other
Pu8Sn12
20
141
568.48
mp-18567
-9.436938
-5.876971
3.785991
other
Ca2Zn22
24
141
372.46
mp-12769
-4.67637
-4.320975
6.157176
other
Y2Si4
6
141
115.21
mp-568148
-9.397903
-5.958188
4.172458
other
Pr2Zn22
24
141
373.84
mp-27191
-4.86371
-3.271322
2.882417
other
Zr36S8
44
141
929.69
mp-1208324
-5.880978
-2.682811
4.892608
other
Ti8Al12
20
141
349.81
mp-755071
9.667489
9.992991
-0.009274
other
Sn2O4
6
141
81.98
mp-294
11.240678
9.117841
0.598571
other
U8O24
32
141
492.04
mp-1179092
-4.913917
-3.824728
5.125032
other
Ti2Si4
6
141
99.41
mp-1208294
-3.49678
-3.472731
0.113156
other
U4Cl8
12
141
2,062.9
mp-684638
-4.421216
-1.179231
-6.125567
other
Al16S24
40
141
742.18
mp-639705
15.609602
5.644164
0.39994
other
Si20O40
60
141
1,227.11
mp-1077398
-4.68645
-4.227381
6.089542
other
Tb2Si4
6
141
114.99
mp-571342
-6.343574
-2.974083
4.828855
other
Ti4Ga8
12
141
184.79
mp-8490
-6.226974
-6.365062
3.675822
other
Li6Ge6
12
141
187.01
mp-1016
-6.15346
-4.374506
3.022331
other
Pu2Ge4
6
141
130.86
mp-27291
1.242073
1.994459
-4.596699
other
Pa2Cl8
10
141
269.73
mp-1890
-5.389456
0.411864
3.246841
other
B4Mo4
8
141
82.49
mp-1201457
-9.357036
-6.160896
4.363716
other
Sm6Zn44
50
141
800.57
mp-1271940
7.101271
13.120831
-1.84074
other
Co6O8
14
141
146.74
mp-1080664
-5.366817
0.485947
3.207502
other
Cr4B4
8
141
65.63
mp-1077267
-4.792311
-4.121789
6.162737
other
Er2Si4
6
141
112.06
mp-1065115
-5.723348
-2.45834
3.619674
other
Mo2Pb2
4
141
81.8
mp-1080634
-4.271152
-4.978181
-3.418359
other
Ce16Se32
48
141
4,045.58
mp-1478
7.874258
10.721345
-0.777061
other
Cu8O6
14
141
165.85
mp-2129
-6.831618
-4.426211
5.341336
other
Nd2Ge4
6
141
137.75
mp-2844
-5.026987
-4.223686
5.784033
other
Th2Si4
6
141
123.08
mp-1220021
-3.363506
-3.730294
0.660702
other
P4S2
6
141
97.45
mp-1104116
2.94945
-0.395301
-1.86098
other
La4H10
14
141
176.67
mp-18026
-9.425355
-5.873611
3.798879
other
Sr2Zn22
24
141
382.28
mp-13955
-4.713963
-4.244591
6.158266
other
Sm2Si4
6
141
121.19
mp-21055
-6.905874
-4.538395
5.116757
other
Ce2Ge4
6
141
136.57
mp-973748
-6.861926
-6.711098
2.823565
other
Li1In3
4
139
92.02
mp-1185103
-6.997264
-6.549782
5.976503
other
La3Tl1
4
139
130.31
mp-1183432
-8.368672
-1.118074
2.835811
other
Be1Ni3
4
139
40.15
mp-1183644
-7.182498
-6.461484
2.363553
other
Cd3Ge1
4
139
89.62
mp-1185088
-7.03606
-6.906582
7.070975
other
K1Sm3
4
139
152.41
mp-861952
-6.598632
-5.203016
1.296772
other
Pu1Bi3
4
139
116.87
mp-1183946
-6.96205
-6.78474
6.944759
other
Cs1Pr3
4
139
162.17