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-1173571
8.398188
1.44517
1.121199
other
Pb10F16
26
8
522.83
mp-1073043
-2.258214
-5.692344
7.386899
other
Mg8Si12
20
8
368.75
mp-1075152
-2.196666
-5.852665
7.212768
other
Mg6Si8
14
8
279.95
mp-1038860
-6.628184
-5.972557
5.508037
other
Ce4Mg2
6
8
156.74
mp-1073003
-2.25403
-5.655544
7.311899
other
Mg8Si12
20
8
361.84
mp-1075496
-2.093449
-5.887103
7.455657
other
Mg10Si12
22
8
404.78
mp-1039222
-7.062193
-7.956431
3.057987
other
Mg3Cd3
6
8
127.61
mp-1185962
-6.296661
-6.954116
2.337571
other
Mg1Pb5
6
8
183.5
mp-684949
-5.569328
-6.347314
3.843065
other
Ca10F5
15
8
431.17
mp-1063118
12.227358
8.996958
0.955481
other
Si2O1
3
8
44.24
mp-1074331
-2.879411
-7.527818
7.474037
other
Mg8Si6
14
8
272.2
mp-1075362
-2.132849
-5.897171
7.445326
other
Mg10Si12
22
8
405.14
mp-1075487
-2.152
-5.847538
7.43722
other
Mg10Si12
22
8
402.74
mp-1223503
-4.556172
-5.463424
0.395703
other
K5As4
9
8
290.46
mp-1185810
-7.415391
-10.420364
4.849656
other
Mg5Hg1
6
8
130.17
mp-1039463
-7.051536
-7.978752
3.05372
other
Mg3Cd3
6
8
128.46
mp-1187979
-5.969523
-7.304164
4.437746
other
Yb5Mg1
6
8
224.98
mp-1094536
-6.815589
-9.841253
3.064202
other
Mg4Sb2
6
8
146.14
mp-705547
8.651538
13.193404
-1.316528
other
Fe16O24
40
8
454.87
mp-1094236
-6.921834
-10.432886
4.223417
other
Mg4Sn2
6
8
143.85
mp-1074144
-2.557739
-5.400032
7.088915
other
Mg8Si14
22
8
395.86
mp-1038899
-6.413313
-7.107486
1.194136
other
Mg4Bi2
6
8
156.72
mp-1073638
-2.571878
-5.427897
6.997373
other
Mg4Si8
12
8
228.68
mp-1225539
-4.733864
-2.751237
-4.031069
other
In23Se28
51
8
1,401.67
mp-1094667
-6.66066
-9.516641
4.851899
other
Mg3Ga3
6
8
120.41
mp-761153
11.677073
8.504887
1.932022
original
U6O11
17
8
241.53
mp-1185903
-6.621467
-6.831209
2.888228
other
Mg2In4
6
8
146.48
mp-1094662
-6.230748
-5.60579
3.626447
other
Mg1Ga5
6
8
109.34
mp-1094410
-7.866955
-9.526766
6.97841
other
Y2Mg4
6
8
161.2
mp-1094178
-6.789425
-6.559623
6.391595
other
La5Mg1
6
8
209.87
mp-1073876
-2.576455
-6.945426
7.58391
other
Mg12Si10
22
8
429.49
mp-676422
11.208713
11.893894
2.903283
other
Ta2O5
7
8
173.04
mp-1094830
-7.477768
-6.936831
2.357092
other
Mg1Cd5
6
8
129.27
mp-1039360
-5.909069
-9.659717
5.126236
other
Ca3Mg3
6
8
191.99
mp-1094485
-9.186654
-6.065873
3.374384
original
Mg1Zn5
6
8
95.78
mp-1094557
-5.678473
-5.913149
0.486527
other
Mg3Sb3
6
8
154.51
mp-1350908
10.146442
9.854322
-0.77269
other
Sb16O32
48
8
772.29
mp-1038970
-6.107172
-6.008129
0.483314
other
Mg3Bi3
6
8
164.9
mp-1073716
-2.391273
-6.795205
7.751228
other
Mg6Si6
12
8
224.2
mp-1216618
-2.644733
-2.855292
-5.405988
other
Tm5S7
12
8
264.1
mp-1039050
-6.108613
-6.001772
0.506822
other
Mg3Bi3
6
8
169.65
mp-674509
0.241285
2.145867
2.203836
other
W43N38
81
8
1,058.04
mp-1223773
-5.464613
-6.303309
0.847509
other
K5Bi4
9
8
385.98
mp-1232349
-4.804696
-2.726026
-4.032525
other
Cd12Se16
28
8
840.13
mp-1074192
-2.610379
-5.369592
7.110208
other
Mg8Si14
22
8
390.56
mp-1226115
7.043921
10.562992
-1.760862
other
Co1O2
3
8
155.48
mp-1219988
2.076906
2.132362
1.369175
other
Pr3N6
9
8
173.33
mp-1173086
-5.594392
-2.898115
2.423429
other
Nb14Sb7
21
8
436.98
mp-978991
-7.718902
-9.805136
6.644516
other
Tm1Mg5
6
8
146.9
mp-684944
-3.935025
-1.234409
-5.804863
other
In8S12
20
8
661.75
mp-1094649
-7.069302
-10.695004
5.078642
other
Mg4Ga2
6
8
124.75
mp-1185834
-6.831534
-11.394545
5.03826
other
Mg5Se1
6
8
140.85
mp-1094493
-8.05518
-9.638625
4.395124
other
Mg3Zn3
6
8
110.69
mp-849084
-5.592888
-0.037976
-5.507992
other
Cr10S16
26
8
447.3
mp-1350429
10.798532
12.379887
2.094057
other
Ti16O32
48
8
599.29
mp-1094332
-4.923889
-7.486042
3.828434
other
Sr3Mg3
6
8
225.56
mp-973147
-7.724782
-9.770576
6.443743
other
Mg5Sc1
6
8
137.87
mp-684525
-5.483468
-3.01494
-4.566624
other
Cu8Se4
12
8
205.15
mp-1039334
-6.105874
-5.999543
0.489509
other
Mg3Bi3
6
8
165.93
mp-685011
-5.439508
-2.561883
-2.312332
other
Te8I3
11
8
954.75
mp-30336
-6.529757
-1.823221
6.002878
other
Al12W3
15
8
237.31
mp-568595
-5.619637
-1.856444
4.728736
other
Re8Si14
22
8
307.56
mp-1094459
-7.410989
-10.945349
5.338768
other
Mg5Zn1
6
8
124.34
mp-1073598
-3.088588
-5.153275
6.779116
other
Mg4Si8
12
8
205.61
mp-1185875
-5.592842
-5.224225
3.10467
other
Mg1Ge5
6
8
118.73
mp-1185809
-7.384294
-10.316944
4.740767
other
Mg5Ag1
6
8
124.36
mp-1094420
-7.69921
-8.580608
6.840612
other
Y3Mg3
6
8
168.51
mp-675278
-4.589479
-1.277653
-5.392541
other
Cu11S16
27
8
488.98
mp-1190649
16.768879
9.493347
7.629629
other
Mg12O12
24
8
335.27
mp-1094871
-6.221399
-6.017436
5.792444
other
Ce5Mg1
6
8
156.07
mp-1073318
-2.993392
-5.200178
6.831772
other
Mg4Si8
12
8
206.35
mp-1222194
-7.19942
-0.559371
4.090059
other
Mn29H2
31
8
324.83
mp-1227533
-5.722747
-1.518926
4.669635
other
Be20Ru6
26
8
257.74
mp-1094681
-7.286005
-11.201628
4.350145
other
Mg5Bi1
6
8
147.2
mp-1094537
-7.22537
-11.177938
4.581011
other
Mg5Sb1
6
8
140.61
mp-1075577
-2.185851
-5.835286
7.41746
other
Mg10Si12
22
8
399.81
mp-1094356
-7.086996
-8.829165
6.534058
other
Mg4Ti2
6
8
124.05
mp-1073587
-3.047839
-5.198194
6.749221
other
Mg4Si8
12
8
206.81
mp-1075282
-2.183331
-5.813915
7.378038
other
Mg6Si8
14
8
261.54
mp-1094486
-7.802999
-10.054129
6.573987
other
Mg5Ti1
6
8
130.08
mp-1073362
-2.717325
-5.430836
6.852118
other
Mg4Si8
12
8
241.14
mp-612405
9.501948
13.086842
-0.779237
other
Fe6O8
14
8
149.43
mp-557881
15.655656
5.646385
0.391863
other
Si12O24
36
8
677.96
mp-656152
0.676415
1.037041
-3.579617
other
Gd4Cl6
10
8
270.81
mp-1073428
-2.499847
-5.441454
7.054937
other
Mg4Si8
12
8
223.51
mp-1038797
-7.362677
-7.10204
2.531631
other
Mg2Cd4
6
8
128.44
mp-1094387
-5.327719
-3.094634
3.970251
other
Mg1Ti5
6
8
108.01
mp-1184255
-7.785418
-9.728183
6.642274
other
Er1Mg5
6
8
145.09
mp-32591
12.579247
7.538549
0.572381
other
Al32O48
80
8
761.68
mp-779692
12.810502
10.028356
1.976337
other
Ti7O8
15
8
165.56
mp-1094215
-6.754301
-9.226775
3.328078
other
Mg3Sn3
6
8
143.71
mp-32580
-6.018591
-3.434537
-2.234803
other
Ga4Te6
10
8
436.99
mp-1039531
-5.161055
-7.352408
3.952973
other
Ca4Mg2
6
8
213.94
mp-1094566
-5.607796
-5.89653
0.413779
other
Mg3Sb3
6
8
150.8
mp-1040967
9.250114
12.993413
-2.2163
other
Cr12O24
36
8
438.41
mp-680671
-8.645141
-7.361207
3.842614
other
Mg20Zn35
55
8
940.03
mp-1228685
-2.692987
1.826252
2.601209
other
B24O3
27
8
199.16
mp-1100463
-2.601268
-5.38991
7.090298
other
Mg4Si8
12
8
217.38
mp-1073302
-2.534664
-5.433686
7.033264
other
Mg4Si8
12
8
223.95
mp-1094643
-6.624235
-9.422704
4.825551
other
Mg3Ga3
6
8
118.82