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-1236003
10.500172
9.399053
-0.715027
other
Li1Bi3Pb1W1Cl1O8
15
25
252.62
mp-2226976
9.342895
10.385016
1.575643
other
Ba1Y1Mg1Cu1Ni1O5
10
25
146.61
mp-2224832
10.511842
3.997014
-3.921278
other
Mg1Cu1H4Pb2Cl2O4
14
25
227.77
mp-2228066
11.703419
10.654847
2.691023
other
La1Mg1Nb2Cu1Cl1O7
13
25
194.81
mp-1235322
8.175976
9.821869
1.639582
other
Ba2Li1Sm1Co1Cu2O7
14
25
195.14
mp-2228604
8.314896
9.672951
1.57364
other
Sr2Y1Mg1Tl1Cu2O7
14
25
207.69
mp-2240838
13.621941
8.677141
-7.722307
other
Mg1Mn1V1P2O8F2
15
2
185.64
mp-699555
6.061589
3.385381
-4.492988
other
Cr4C26S2N6O20F10
68
2
1,101.46
mp-1236332
10.137717
1.734124
-1.407103
other
Li1Al2H4Pb2O4F6
19
2
226.09
mp-1197210
10.917045
3.789207
-4.807503
other
K2Na4P6H14N6O16
48
2
535.95
mp-535004
9.691924
2.177258
-4.44896
other
Zn8P12H76C16N8O48
168
2
1,646.92
mp-1234116
13.570182
6.334738
-5.617801
other
K2Mg1Zn4P4H2O16
29
2
434.19
mp-572874
8.633774
1.176933
-4.346132
other
Al2H28C8N2O2F8
50
2
566.35
mp-772728
9.701881
3.577921
-8.549877
other
Na10Li2Mn4P4C4O28
52
2
630.9
mp-759811
14.23554
7.823311
-6.563926
other
Li4V2Cr2P4H4O20
36
2
362.95
mp-2220391
10.1038
9.984846
2.785965
other
Ba6Mg1Nb2Ir1Cl2O12
24
2
497.6
mp-1232383
-4.446153
0.712506
2.949619
other
Hf2Ta2Ti2B8Mo2C8
24
2
212.27
mp-24664
8.371636
1.892764
-4.523288
other
Zn2H16C4N8Cl4O4
38
2
472.99
mp-1200481
7.834795
0.143791
-4.451946
other
Yb4Si16H144C48N8Cl4
224
2
2,866.08
mp-561074
8.38345
1.44958
-4.546009
other
H56Rh4C24N4Cl4O16
108
2
1,160.04
mp-735910
12.576162
6.52572
-0.755268
other
K3Li5Al6Si10O30F6
60
2
842.81
mp-2229489
14.046317
7.828361
-6.639151
other
Mg1V1Cr1P2H2O10
17
2
182.08
mp-1180029
5.956793
3.885671
-4.04561
other
Pb1C6S6N12Cl2O8
35
2
749.04
mp-778070
13.256667
7.819017
-7.279069
other
Li4Mn2V2P4H4O20
36
2
367.59
mp-757218
10.276098
4.649984
-4.243707
other
K4Na2H18Pd1I2O20
47
2
527.81
mp-24828
12.774979
5.625507
-5.995177
other
Ba4Co4B4P8H4O36
60
2
718.57
mp-557010
6.422931
3.28799
-3.427824
other
Cd1As2S18N12O6F12
51
2
1,014.37
mp-776504
13.673306
8.524457
-7.934722
other
Li6Mn3V3P6O24F6
48
2
550.74
mp-556077
8.233327
10.164301
-3.395592
other
Zn1Cr6Si2Pb10O32F2
53
2
830.77
mp-554598
8.829767
1.33934
-4.41383
other
B4H20C4N2Cl2O6
38
2
396.4
mp-1214326
8.373195
2.70459
-4.966431
other
Ca2H16C12S4N4O16
54
2
624.98
mp-696020
9.140512
3.520609
-4.593529
other
Ca2Re4H12C2N4O20
44
2
571.38
mp-1227826
12.639626
6.577376
-0.64518
other
Ca4Al5Cr1Si6H2O26
44
2
471.75
mp-1197884
9.52424
3.349841
-3.982235
other
V1H17C4S4O20F12
58
2
680.66
mp-695698
12.626423
6.527018
-0.559898
other
Ca4Ti2Al2Si4O18F2
32
2
368.83
mp-1202461
13.29493
6.832124
-0.91344
other
Li2Ca4Mn4Si10H2O30
52
2
588.81
mp-24273
9.065936
2.401202
-4.586586
other
Cd1H20C4S4N2O12
43
2
452.49
mp-1197579
6.117103
3.328935
-4.405459
other
Cr2H2C14N2O10F4
34
2
574.55
mp-1205047
8.08032
0.93061
-4.458853
other
Ag4H144C60S12N24Cl4
248
2
2,728.93
mp-735824
12.666668
6.654838
-1.805561
other
K5Li10Al5Si20O50F10
100
2
1,337.95
mp-760016
11.628085
7.983227
-7.23932
other
Li2V2Fe2P4H4O20
34
2
360.93
mp-760143
14.358327
8.512646
-7.202137
other
Li4V2Cr2P4O16F4
32
2
361.58
mp-760163
11.642441
7.979763
-7.231431
other
Li2V2Fe2P4H4O20
34
2
359.81
mp-1208461
8.343038
2.229081
-4.57532
other
U1Cr4H48C14N30O22
119
2
1,240.55
mp-1198862
8.694562
2.050192
-4.598841
other
Zn2H20C4S6N12O8
52
2
591.6
mp-1221041
12.844621
5.887866
-1.458755
other
Na8Zr3Si16Sn1H16O52
96
2
1,154.98
mp-1212169
8.109205
2.623635
-5.157798
other
K4Cd2H4C16N12O16
54
2
769.45
mp-1201658
12.016711
4.617454
-4.976717
other
Mn2Al4P4H20O26F4
60
2
589.87
mp-1200727
7.933552
1.732797
-4.478798
other
H38Pb2C30S4N6O10
90
2
1,095.46
mp-1204695
8.132147
0.870261
-4.497874
other
Tc3H36C12S6Cl12O6
75
2
1,177.76
mp-771003
9.560392
3.525253
-8.617976
other
Na2Li4Mn2P2C2O14
26
2
301.07
mp-707816
8.619541
3.936038
-4.509295
other
H10C2S2N4Cl2O8
28
2
382.69
mp-1202148
7.784204
1.373599
-4.277014
other
B2P8H72Rh2C72F40
196
2
2,215.94
mp-1348675
7.752668
3.907249
-2.734494
other
Ni1H44C12N8Cl2O10
77
2
706.9
mp-1196643
8.071463
3.739039
-3.645677
other
Li8C16S16N8O40F48
136
2
1,984.02
mp-776501
13.678715
8.526533
-7.932303
other
Li4Mn2V2P4O16F4
32
2
367.19
mp-1190639
14.238393
7.419207
-5.729279
other
Cs2K4Fe6P8Cl2O28
50
2
786.41
mp-558106
8.529451
1.946998
-4.491208
other
Sn1H58C16S4N22O18
119
2
1,215.57
mp-656345
7.562762
4.488746
-2.196313
other
B4H20C4N2Cl2O6
38
2
396.4
mp-1216219
10.444257
3.445599
-4.501925
other
Zn3Cr1H80S8N8O56
156
2
1,422.28
mp-1201227
8.008104
1.575237
-4.479471
other
H48Au2C32S4N6O8
100
2
1,209.82
mp-1205055
5.89452
4.064069
-4.26041
other
Te2C8S8N16Cl4O16
54
2
1,354.56
mp-693409
12.572506
6.562913
-0.714476
other
Ca10Ti8Nb1Al1Si10O50
80
2
952.12
mp-1100964
8.611738
1.944008
-4.561247
other
U2P2H20C8N4O16
52
2
706.24
mp-1204845
8.561946
2.784239
-4.617589
other
H14C4S2N8Cl2O8
38
2
510.71
mp-1199919
11.744661
6.620692
-6.701603
other
K4Mn2P4H4O16F4
34
2
483.21
mp-720849
7.348602
2.304118
-4.394892
other
Na8H24Pt4C16N16O12
80
2
1,036.3
mp-1210735
8.380985
2.657096
-5.000995
other
Mg1H8C6S2N2O8
27
2
297.56
mp-708999
8.216628
0.722435
-4.462571
other
K2Sn4H72C24Se12N6
120
2
1,547.14
mp-1201666
10.37962
4.794958
-4.531927
other
V12Co1H24C8N2O32
79
2
1,033.55
mp-759379
11.596204
7.994134
-7.47693
other
Li2Mn2V2P4H4O20
34
2
360.68
mp-1177881
13.233799
7.809826
-7.268606
other
Li6Mn3V3P6H6O30
54
2
546.73
mp-1203169
8.763887
2.866908
-4.736552
other
U2H26C6N12Cl2O20
68
2
765.2
mp-557494
8.237989
2.342188
-1.056802
other
Ag4B4Te16C8O24F80
136
2
2,348.54
mp-24272
8.990831
2.321591
-4.575934
other
Ca1H20C4S4N2O12
43
2
466.32
mp-1233305
13.518942
6.861161
-6.697701
other
K2Mg1Mn2P6H2O20
33
2
453.62
mp-1233022
13.385662
7.385871
-5.882385
other
Mg1Co6Ag2P6H4O24
43
2
466.74
mp-1233986
10.294888
1.76508
-1.193633
other
Ca1Al2H4Pb2O4F6
19
2
242.26
mp-760167
14.237628
7.823142
-6.556931
other
Li6V3Cr3P6H6O30
54
2
543.5
mp-760034
13.442673
7.853678
-6.893274
other
Li6V3Fe3P6H6O30
54
2
549.75
mp-1340838
7.976045
3.798812
-1.622355
other
Li2Mg1Zr2H4O4F12
25
2
309.78
mp-1214060
13.202024
5.667766
-6.544991
other
Ca2Mg10P6H2C2O32
54
2
597.46
mp-1202403
8.697674
3.43396
-6.077046
other
Na2U2Zn1H8C12O28
53
2
610.16
mp-726800
13.672663
6.460608
-1.656885
other
Mn4Si4Sn1B2H2O18
31
2
352.68
mp-1199714
8.165863
0.878855
-4.375008
other
Hg2P10H54C22O12F12
112
2
1,465.61
mp-1200644
8.468736
1.631569
-4.272056
other
Ca1H36W6C12S6O25
86
2
1,142.39
mp-727288
9.421882
2.876469
-4.708985
other
V4H80C8S8N24O52
176
2
1,719.36
mp-1192972
7.502816
4.786839
-4.374097
other
Pb2C6S4N2O8F4
26
2
561.32
mp-1194277
7.86709
1.37584
-4.44943
other
Cr1H12C8S2N2O2
27
2
370.94
mp-1228335
10.410508
7.140462
-5.572695
other
Ba4Ti1Al3P4O20F4
36
2
469.31
mp-1177823
13.430466
7.848248
-6.895291
other
Li4V2Fe2P4H4O20
36
2
365.09
mp-774726
8.418553
1.940612
-4.518518
other
Cu4H52C12S14N24O10
116
2
1,309.34
mp-1386711
7.533287
5.023454
-1.817479
other
Ga2Ge4H10C2N2O12
32
2
358.34
mp-2226915
14.208549
8.390963
-7.229212
other
Mg1V1Cr1P2O8F2
15
2
182.28
mp-1233087
13.970632
6.990738
-4.924076
other
Sr2Ca1Zn2Sn2P4O16
27
2
406.73
mp-555028
7.946466
2.264539
-1.244117
other
Ag1Sb1Te6S16O6F30
60
2
1,252.75
mp-1234634
10.457376
1.94079
-1.270533
other
Mg1Al2H4Pb2O4F6
19
2
230.71
mp-1218734
7.786996
9.891483
1.43703
other
Sr4Ca1Y1Cu6Pb4O16
32
2
467.93
mp-1260618
13.114122
6.835111
-0.855059
other
K3Ca2Mg10Si16H4O48
83
2
994.25
mp-721789
8.241635
1.815369
-4.451006
other
Cu2H36C8N20Cl4O4
74
2
760.66