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-1202459
8.595881
2.173903
-4.525373
other
Cr2H24C4N12O8
50
2
477.37
mp-1177665
13.473125
7.941885
-7.270705
other
Li6Fe4P4O16F4
34
2
370.01
mp-1238482
11.344363
4.398326
-4.549546
other
Mn2Al4P4H40O32
82
2
695.54
mp-1229129
7.812077
8.708477
1.379578
other
Ba10Pr5Nb2Sn3O30
50
2
846.91
mp-778046
12.198097
5.267587
-5.190772
other
Li2Fe2P4H10O18
36
2
390.71
mp-1181784
10.699402
6.306734
-4.414812
other
K2Mg1Mo2H4O10
19
2
265.39
mp-698710
7.002366
11.869291
1.869708
other
Sr4La4Mn7Cu1O24
40
2
474.92
mp-1210279
12.841919
6.275442
-0.627447
other
Na4Ca8Si16O40F4
72
2
947.38
mp-554200
8.067
9.809576
1.542059
other
Sr4Y2Cu6Pb4O16
32
2
455.49
mp-570584
7.945431
0.404925
-4.423544
other
Ta2Si4H70C24N8
108
2
1,100.84
mp-559733
10.076124
3.401605
-4.966328
other
Gd2H14C4S2O16
38
2
370.3
mp-1046375
13.202254
6.810855
-6.72745
other
Sr4Mg4Co4P8O32
52
2
640.59
mp-603633
11.632134
4.234857
-5.178345
other
Sn2P8H16N4O26
56
2
628.36
mp-1200547
8.202543
1.968461
-1.875823
other
K4B24H16O8F24
76
2
920.4
mp-775021
12.026119
7.226208
-1.837998
other
Na2Li6Fe8Si16O48
80
2
872.51
mp-1046446
14.253102
7.016681
-5.59028
other
Sr2Ca2Cr2P4O16
26
2
348.34
mp-1209318
8.109711
2.289801
-1.10004
other
Sb1Te8Cl6O6F31
52
2
1,039.01
mp-697882
8.115211
9.629951
-3.800491
other
K2Zn1Cr4H4O16
27
2
384.78
mp-768782
8.474575
5.257583
-7.892557
other
Li6Mn4P4C4O28
46
2
545.34
mp-779471
15.540632
5.919594
-2.16773
other
Li4Mn2Fe2B4O12
24
2
253.1
mp-1579081
11.101075
6.786577
-6.103309
other
Na12Co4B4P4O28
52
2
622.18
mp-757927
11.495132
5.607596
-3.541196
other
Li2Mn6Al4H12O24
48
2
438.7
mp-1190458
10.320192
5.290658
-6.16632
other
Gd2Zn1Te2S2O14
21
2
301.75
mp-1193556
8.618993
5.879359
-6.018324
other
K2Ca2Mg1S4O18
27
2
372.35
mp-1195918
1.280777
2.354536
-4.923777
other
Na2Ga12Sb14Te16Cl48
92
2
2,991.3
mp-1194046
10.255466
4.395841
-5.494772
other
Cu1H6Pb4S2O14
27
2
345.31
mp-1565574
13.084158
6.711073
-6.83062
other
Li8Co4P4H4O20
40
2
387.56
mp-1105084
9.554411
3.332044
-3.978737
other
Rb2U1H4Cl4O4
15
2
331.29
mp-726838
7.208074
5.669394
-2.80509
other
K1Ni1H9C2O10
23
2
210.71
mp-683791
5.743039
3.422351
-4.69293
other
Mn4In2C20Cl2O20
48
2
821.24
mp-1203479
12.058754
5.107094
-5.276134
other
Tl2Ni1P4H8O16
31
2
385.41
mp-1227168
8.077272
8.237139
-3.962449
other
Ca1Zn1Fe1As2O10
15
2
191.81
mp-699474
8.947183
1.966092
-4.126236
other
Sc2Cu3H36N12F12
65
2
754.44
mp-1195829
8.149078
2.42854
-4.599959
other
H18C12N20Cl2O10
62
2
628.46
mp-1517332
7.581777
8.929439
0.837264
other
Ba2Sr2Pr2Ti2O12
20
2
310.25
mp-942700
9.87511
4.979158
-6.771911
other
Li4Ni4S4O16F4
32
2
361.46
mp-1181479
10.217875
7.739748
-2.655848
other
Fe1As2Pb4Cl4O8
19
2
365.89
mp-683652
5.719078
3.394189
-4.674335
other
Mn4In2C20I2O20
48
2
862.31
mp-1227786
12.468204
6.575061
-0.694686
other
Ca2Ti1Si2Sn1O10
16
2
197.08
mp-1521785
9.232386
9.129067
2.256392
other
Ba2Ca2Nd2Sb2O12
20
2
306.01
mp-773087
12.443537
6.801102
-1.182595
other
Li2Mg1Cu2Si4O12
21
2
223.3
mp-1191673
10.694459
4.357652
-6.450102
other
Na4B2S2O8F6
22
2
276.37
mp-722288
7.560031
5.983999
-3.345698
other
K2Co1H4Se2O10
19
2
249.76
mp-1229139
7.585146
9.602646
1.032143
other
Ba10Ca5Cu10Hg5O31
61
2
956.23
mp-2226519
9.70865
2.242188
0.737438
other
Mg1V2Pb1O2F8
14
2
242.61
mp-1640545
13.255346
7.299874
-6.720945
other
Na8V4B4P4O28
48
2
652.48
mp-1521005
9.849497
11.197541
1.116815
other
Ba2Sr2Ca2W2O12
20
2
299.8
mp-753051
13.242458
7.047015
-6.811202
other
Li2Cr2P2H2O10
18
2
169.3
mp-849432
10.195047
3.815524
-4.632764
other
Ni4H48S8N8O40
108
2
1,016.37
mp-1202964
12.133885
4.923879
-5.279013
other
Rb2Zn1P4H8O16
31
2
387.2
mp-1046422
14.348905
7.314606
-5.565425
other
Sr2Zn2Cr2P4O16
26
2
327.42
mp-1235349
8.49298
9.875312
1.52337
other
Ba2Li1La1Ir1O6
11
2
169.5
mp-1209082
9.101227
6.645893
-2.961583
other
Rb2Y2Se2Cl4O6
16
2
404.77
mp-1342613
7.47926
4.66869
-1.70076
other
Na12Mn3S6O24F8
53
2
708.79
mp-1179935
8.885637
4.367329
-5.265104
other
Rb8Ce2H24C6O34
74
2
1,094.74
mp-1340261
7.622312
5.049154
-1.694247
other
Sr2Zn2Cr2P4O16
26
2
327.42
mp-866812
-0.01781
1.65611
-4.421084
other
U2Ta4S12Cl12O2
32
2
859.65
mp-1517321
5.683396
10.144998
-0.316931
other
Ba2Sr2Nd2Fe2O12
20
2
291.92
mp-707792
5.561831
3.237421
-4.716298
other
H12Ru18C48S6O48
132
2
2,413.37
mp-720337
9.484715
4.904606
-4.405978
other
Na6Cu1P4H26O30
67
2
897.3
mp-2227258
11.424868
9.744724
1.336999
other
Ba2Gd1Mg1Mo1O6
11
2
180.32
mp-697974
11.911747
4.509793
-5.380342
other
Sm2P6H10N2O20
40
2
442.18
mp-695963
10.361409
4.591266
-4.116891
other
K4Na2H20I2O20
48
2
512.25
mp-759958
8.072704
2.186339
-1.73313
other
As6H18C6S18F36
84
2
1,316.72
mp-1046354
14.197571
6.791816
-6.252409
other
Sr4Mg4Mn4P8O32
52
2
658.67
mp-1523075
6.260164
10.875979
0.953726
other
Ba2Sr2Nd2Mn2O12
20
2
298.35
mp-1194780
9.770842
4.537977
-5.725769
other
H8Pd1S8N2O26
45
2
610.17
mp-1045802
8.791559
0.879394
-0.121306
other
Ba4Mg2Cu2Ag4F28
40
2
588.8
mp-1202119
10.071639
5.010845
-4.198125
other
Yb2Cr2Mo12H68O76
160
2
1,829.48
mp-2220684
11.598433
10.598376
0.806493
other
Sr2Mg1Co1W1O6
11
2
155.58
mp-1190633
8.617457
6.486083
-5.51281
other
Yb2Co1Te2S2O14
21
2
296.96
mp-2228964
-2.622888
-0.422321
-5.303236
other
Mg1Ti2Tl2P2S10
17
2
425.02
mp-543047
12.813886
6.355446
-0.923208
other
K2Na2Cu2Si8O20
34
2
476.53
mp-1202378
9.825324
3.237494
-4.445036
other
H26C4Cl4O16F2
52
2
588.5
mp-780148
13.724271
7.149283
-6.942178
other
Li6Mn4P8H2O28
48
2
589.93
mp-1054584
10.58408
9.524686
1.806321
other
La6Mn2W2S6O12
28
2
444.59
mp-1522690
7.365899
8.536007
0.181875
other
Ba2Sr2Pr2Sn2O12
20
2
328.56
mp-1521569
9.356997
9.169493
3.673076
other
Ba2Ca2Ce2Hf2O12
20
2
303.87
mp-1195172
10.464337
4.652495
-6.960269
other
Rb2Sb4P2S4O24
36
2
557.72
mp-1201106
10.106488
3.740458
-4.948897
other
Nd2H20S6N6O22
56
2
612.19
mp-1194720
8.276931
1.033236
-4.608811
other
Zn6H48C24Br22O12
112
2
1,765.85
mp-777429
15.409677
5.685246
-2.271412
other
Li8Mn6Fe2B8O24
48
2
509.7
mp-542385
8.787956
5.719448
-3.898578
other
K2Mn1H4Se2O10
19
2
333.04
mp-862678
9.32681
2.631699
-2.201781
other
Sb2H8Pt1O4F12
27
2
312.49
mp-691043
7.478209
8.519768
0.544251
other
Ba10Pr5Nb1Sn4O30
50
2
851.31
mp-1665188
14.977413
7.91861
-5.18747
other
Li4Cr2Fe2P4O16
28
2
307.65
mp-1198193
8.812558
1.522113
-4.387623
other
Nb10H100C24N6O42
182
2
1,734.46
mp-761158
11.85146
7.007921
-2.033818
other
Li2V2Si8H4O24
40
2
493.52
mp-728943
8.08449
5.354187
-2.652102
other
Mg3P4H28N2O24
61
2
532.7
mp-695887
12.605878
6.367452
-6.6337
other
K3Cu2P4H1O14
24
2
320.72
mp-943492
10.481755
4.535786
-6.843152
other
Li4Fe4S4O16F4
32
2
386.07
mp-1183864
10.078444
2.356733
-2.773515
other
Cd1Sn2H12O6F6
27
2
304.81
mp-1229150
10.381675
3.975275
-4.383114
other
Co3Cu1H56S4O44
108
2
973.93
mp-1101700
8.927956
4.907723
-7.782079
other
Na10Ni4P4C4O28
50
2
615.35
mp-557941
10.354343
4.521304
-5.97385
other
K8As2H10S6O32
58
2
839.39
mp-558204
11.593123
4.532286
-5.005189
other
Er2P2H10C2O14
30
2
318.32
mp-2229646
13.286357
7.512234
-6.272932
other
Mg1Zn2Co2P2O10
17
2
199.95
mp-1236191
14.361113
7.154626
-5.539323
other
Ba2Li1Mn2P4O14
23
2
346.68
mp-1199432
11.557782
4.261722
-4.572951
other
Al2Fe1P2H18O18
41
2
345.18
mp-1189952
9.576863
5.728122
-4.269198
other
Na2Ni1H4Se2O10
19
2
218.9