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-1344076
-4.909872
-0.799674
-4.622946
other
Ca2Co4S10
16
59
321.41
mp-769228
8.791466
8.539815
-0.061505
other
Cs10Y2O8
20
59
579.32
mp-1219778
8.462738
1.300677
0.961167
other
Rb4Ta2F14
20
59
358.91
mp-1246609
0.379076
2.558586
1.976463
other
Mn4Ni2N4
10
59
94.79
mp-555173
8.536512
3.895524
-6.52194
other
U2C2O10
14
59
190.09
mp-27246
-2.320445
-2.271483
-5.585998
other
Lu2S2Br2
6
59
170.01
mp-1197262
-8.113381
-2.712065
4.26109
other
Sm8Ge18Ir26
52
59
900.43
mp-1041743
11.055825
9.483347
0.220061
other
Ca4Sb8O16
28
59
481.01
mp-1048597
9.098716
11.740845
-2.457668
other
Zn2Cr4O10
16
59
194.07
mp-1178361
10.374397
8.121831
2.757836
other
Dy2Cl2O2
6
59
150.59
mp-20334
7.92321
11.403093
-0.882613
other
Co2Cu4O6
12
59
127.04
mp-29560
-4.627953
-4.341528
5.909603
other
La12Si14Br6
32
59
839.05
mp-1245616
1.524666
1.658415
1.254278
other
Ba4Sr2N4
10
59
275.3
mp-1247015
0.153942
2.684745
1.875608
other
Fe4Ni2N4
10
59
90.94
mp-1195923
-5.937631
-0.576735
1.408507
other
Dy6Co18P12
36
59
464.42
mp-1369134
-3.99955
-0.431258
-4.865694
other
Mg2Ti4S10
16
59
353.38
mp-752941
12.641578
0.416815
0.677165
other
Fe4O4F4
12
59
164.67
mp-623814
-5.364911
-3.526767
3.214011
other
Hf16Fe2Te12
30
59
744.97
mp-1222947
6.430262
5.061002
-4.74976
other
La2N2O8
12
59
154.13
mp-1246459
1.674898
1.76642
1.304419
other
Ca10Fe2N8
20
59
339.96
mp-662590
-5.029425
0.9355
3.221726
other
U10B48Mo20
78
59
816.98
mp-1188534
-2.948352
0.484442
2.497647
other
Sc4Cr4C8
16
59
166.08
mp-28707
10.837838
11.728659
2.814025
other
Pr4Nb20O56
80
59
1,016.67
mp-937591
-5.017488
-4.913939
0.542692
other
Li14Mn2As8
24
6
431.75
mp-1227574
-8.375904
-6.588718
2.784204
other
Ca4Cd3Au5
12
6
278.94
mp-1224382
-5.68557
-1.613299
0.723006
other
La12Ni28P20
60
6
950.43
mp-1225075
-7.275002
0.454141
3.401257
other
Fe9B4Rh3
16
6
168.81
mp-1247851
12.610672
7.167083
0.372793
other
Al10Si2O19
31
6
354.44
mp-1219151
-8.131778
-6.271826
4.743732
other
Sm4Ga7Ag5
16
6
319.38
mp-675046
-5.772312
-6.896395
2.557535
other
Rb28Mg9In51
88
6
3,308.69
mp-1221731
-5.838651
-1.095038
1.741477
other
Mn3Cr1P4
8
6
97.59
mp-776983
15.121176
12.475429
-0.772854
other
V6O7F5
18
6
205.23
mp-768179
8.750567
13.14443
-1.217413
other
K3Fe22O34
59
6
686.06
mp-1224559
-5.381735
-2.710289
3.095411
other
Hf20Co5P11
36
6
627.69
mp-696353
0.192138
1.195995
2.028003
other
Al6C3N2
11
6
130.96
mp-774384
12.694636
0.498127
0.273869
other
Fe10O11F9
30
6
347.73
mp-759478
13.190036
0.363069
0.912342
other
Fe12O12F12
36
6
429.29
mp-2228923
11.250282
10.85978
-3.339746
other
Mg1Mo4O12
17
6
233.08
mp-1236025
5.338642
11.424376
-2.315183
other
Li1Fe8O16
25
6
308.03
mp-1224121
-3.888225
-0.600156
-4.405233
other
Hf1Zr1S6
8
6
170.82
mp-1221222
12.084199
11.808499
2.093408
other
Na3Ti8O16
27
6
298.91
mp-759546
13.195992
0.37043
0.813873
other
Fe12O12F12
36
6
414.21
mp-1221063
10.908841
11.597845
2.544124
other
Nb10Pb5O30
45
6
669.89
mp-2228965
7.726597
10.054702
-3.88138
other
Mg1Cr4O12
17
6
346.75
mp-1222560
-6.408176
-1.973622
1.050852
other
Li3Ni11As7
21
6
275.79
mp-1220195
-0.071987
0.811871
-3.77348
other
Nd2Br4Cl2
8
6
230.22
mp-760072
7.683081
11.929675
2.08585
other
La7Mn8O23
38
6
488.25
mp-1220056
-5.288771
-4.645474
6.398396
other
Pr12Si6Ni4
22
6
571.63
mp-1225681
5.254523
3.195296
-3.810532
other
Dy1S3N3
7
6
160.28
mp-753145
13.254948
0.385069
0.901974
other
Fe6O6F6
18
6
210.99
mp-759697
13.285132
0.392142
0.904149
other
Fe12O12F12
36
6
416.68
mp-759253
10.311239
1.312001
-1.719771
other
Co6O5F7
18
6
197.94
mp-2227126
8.209126
8.844197
-0.769917
other
Mg1Bi4O8
13
6
223.93
mp-1184020
-1.176292
2.725191
-2.88441
other
Cs2Li6I8
16
6
593.99
mp-773751
12.981462
0.748654
1.960685
other
Fe6O4F8
18
6
215.91
mp-754527
13.278985
0.392939
0.85206
other
Fe6O6F6
18
6
205.19
mp-1221971
-4.593933
-1.610367
-6.379847
other
Mg1Zn3S4
8
6
162.85
mp-1215710
-8.205843
-4.848701
3.485819
other
Yb4Pt3Au1
8
6
181.26
mp-1001069
-2.453356
-0.646452
-5.693495
other
Li48P16S61
125
6
2,652.95
mp-675395
7.7734
3.142065
-4.544877
other
H8C16O16
40
6
425.67
mp-764813
13.273683
0.393625
0.88769
other
Fe12O12F12
36
6
417.7
mp-1186148
1.943333
2.024244
1.301994
other
Na1Li5N2
8
6
93.93
mp-1226323
-5.76809
-1.306121
1.780338
other
Cr3Ni1P4
8
6
98.5
mp-1218334
-4.005341
-5.713226
5.237071
other
Sr5Ca3Si4
12
6
373
mp-1220196
-8.423027
-6.056352
5.695326
other
Nd4Cu3Ni1
8
6
183.17
mp-1247887
12.598125
7.062429
0.276238
other
Al10Si2O19
31
6
354.72
mp-1223673
-4.514328
-2.829698
-4.031027
other
In1Sn3Se4
8
6
221.21
mp-759551
13.294193
0.392247
0.912509
other
Fe18O18F18
54
6
626.9
mp-1178245
13.279837
0.381591
0.902252
other
Fe18O18F18
54
6
626.59
mp-1227013
-3.641693
-1.377436
-5.147518
other
Cd2Sb6S11
19
6
481.8
mp-1226421
-5.841872
-1.248592
2.110974
other
Cr8Mo4P12
24
6
312.05
mp-1224593
-8.861824
-6.437107
5.015923
other
La14Zn45Si1
60
6
1,225.63
mp-1216350
-3.848564
-4.011371
0.819262
other
Y6Cu15P16
37
6
571.62
mp-756858
9.831547
12.382084
-4.199906
other
Li2V6O16
24
6
290.01
mp-1105410
6.239421
5.40415
-4.210759
other
Cr2N4O8
14
6
270.89
mp-766543
11.68058
12.535295
1.783537
other
Li7Ti11O24
42
6
439.11
mp-760936
6.658242
12.733006
-2.935559
other
Co6O7F5
18
6
184.32
mp-673301
11.137627
4.274424
-3.292629
other
La2H6O6
14
6
147.33
mp-759193
13.28144
0.389338
0.905329
other
Fe12O12F12
36
6
418.06
mp-1217778
-5.786468
-1.512795
0.819396
other
Tb12Ni28P20
60
6
881.7
mp-1097791
5.042604
2.248166
-3.103284
other
B4C6N12
22
6
342.35
mp-752547
11.577518
-0.253165
1.394141
other
Mn6O2F10
18
6
234.31
mp-1216936
-4.228642
-3.510278
-2.277608
other
U4Te1Se7
12
6
290.74
mp-755615
12.676932
11.611372
1.569189
original
Li3Ti4O8
15
6
149.85
mp-675410
11.748383
8.498528
1.974729
other
Ba2U2O3
7
6
190.35
mp-1218339
6.997727
7.774989
-2.074082
other
Sr1Cu1O2
4
6
122.75
mp-2217165
7.989512
10.33147
-3.753461
other
Mg1Cr2O6
9
6
153.07
mp-760966
12.867318
-0.926728
0.503274
other
Mn8O8F8
24
6
279.4
mp-1216255
-8.167954
-2.604535
4.373794
other
Y6Al15Ni15
36
6
548
mp-867680
8.814895
8.684912
-0.264618
other
Na4Tl4O4
12
6
286.99
mp-754938
5.277876
12.034582
-2.436219
other
Fe10O15F5
30
6
331.14
mp-753271
12.831242
-0.886835
0.457529
other
Mn8O8F8
24
6
281.64
mp-777542
12.806208
0.872026
2.21397
other
Fe10O6F14
30
6
363.2
mp-1221737
-6.340561
-0.457783
2.297684
other
Mn3Fe9P6
18
6
204.81
mp-1228943
2.345106
2.156427
1.782772
other
Al1Ga3N4
8
6
89.36
mp-777638
12.758907
0.472908
0.272215
other
Fe10O11F9
30
6
345.58
mp-1178206
11.723603
7.953503
0.024901
other
Ga12N4O12
28
6
369.87
mp-673310
11.322197
4.143208
-3.390491
other
Y2H6O6
14
6
126.22
mp-755301
9.524833
0.929334
-0.37416
other
Ni6O1F11
18
6
203.97
mp-1224365
-4.043755
-1.431284
-5.756602
other
K3In21S24
48
6
1,228.75