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-613227
9.090002
5.015675
-5.784634
other
Co2S2O8
12
11
260.88
mp-1095679
7.053278
10.341586
-1.642168
other
Cu4Br2O6
12
11
181.78
mp-977334
12.37545
12.115025
1.836847
other
Li4Ti8O16
28
11
287.5
mp-1103539
-1.257903
3.122165
-2.972392
other
Cs4Cd2I8
14
11
710.12
mp-1103912
8.161552
6.267131
-5.357668
other
Cs2S2O8
12
11
217.38
mp-1041853
8.917427
1.744684
-0.214061
other
Y2Cr6F30
38
11
676.93
mp-1189202
-5.490764
-6.9519
3.113276
other
Na10Ga2Ge4
16
11
434.44
mp-619510
-0.527089
1.308074
-4.484137
other
Cs2Hg4Br10
16
11
586.35
mp-2525045
1.994981
1.802077
2.64655
other
Zr4N4O2
10
11
131.22
mp-1246137
1.292084
1.947368
1.433754
other
Sr32Mn16N32
80
11
1,681.87
mp-1359624
8.842302
1.724759
-0.824007
other
Y2Co6F30
38
11
594
mp-696195
8.346925
2.273311
2.634547
other
Y8Se8F8
24
11
515.66
mp-1210250
-1.54579
0.636715
-3.908679
other
Nb6Se10Br14
30
11
878.49
mp-20716
9.406446
7.169614
-3.106904
other
Pb2Se2O6
10
11
158.84
mp-755393
-1.201102
1.87997
-1.736371
other
Sr2La2I10
14
11
610.25
mp-569238
-1.043871
3.03827
-3.141406
other
Cs6Li2I8
16
11
821.65
mp-762052
11.766715
8.130526
-0.318424
other
Na4Ga22O34
60
11
710.11
mp-1087474
7.466763
8.479424
-2.488614
other
Pr2Cl2O4
8
11
156.63
mp-28019
-4.656951
-1.29233
-3.200704
other
Nb2Cr2Se10
14
11
313.94
mp-1445397
9.770024
12.664085
-0.583276
other
Mg4Co4O8
16
11
156.05
mp-9391
-5.849969
-2.276809
-1.141176
other
Ta2Ni4Te6
12
11
285.49
mp-26120
10.050999
7.920884
-6.505801
other
Fe2P10O30
42
11
576.01
mp-769285
8.630136
10.779965
1.599589
other
Ho6Re2O16
24
11
301.32
mp-22023
10.721722
7.587007
-2.560537
other
Pb6S2O12
20
11
329.74
mp-7784
11.790691
7.801789
-3.623514
other
Sb2As2O8
12
11
180.15
mp-6989
9.44843
6.881665
-3.217768
other
Ba2Se2O6
10
11
176.76
mp-1209868
-2.678408
-2.835469
-5.530599
other
Nd2Tm6S12
20
11
457.47
mp-1041231
13.142239
6.403466
-6.789842
other
Sn6P6O26
38
11
563.01
mp-1196756
9.470074
7.238498
-2.745538
other
Nb2Si8O26
36
11
657.82
mp-1207577
-1.095981
2.642807
-2.919856
other
Zn4In2I8
14
11
611.21
mp-756106
7.527133
8.422165
-0.331615
other
Tb2Ce2O8
12
11
162.67
mp-1206207
7.446208
8.120448
-2.950366
other
Dy2Cl2O4
8
11
138.52
mp-27599
8.586957
1.077431
0.978119
other
K4In8F28
40
11
622.54
mp-763767
14.208117
8.305497
-5.617208
other
Fe10P6O26
42
11
530.27
mp-541740
14.320372
4.986633
-7.797346
other
Ta4P4O20
28
11
407.85
mp-673401
10.61253
8.693221
-4.257965
other
Mo4H4O14
22
11
264.35
mp-767268
10.021789
12.570569
-4.13343
other
Li2V18O44
64
11
798.36
mp-1180935
6.233124
5.470866
-4.384386
other
La2N6O26
34
11
516.51
mp-684053
13.972438
7.167584
-5.250459
other
Sn12P14O48
74
11
1,137.68
mp-644762
-6.669624
-6.377385
2.939121
other
Eu2Zn4Sn4
10
11
240.83
mp-607816
-7.097557
-1.524073
5.120852
other
U4Fe4Ge4
12
11
213.76
mp-4691
8.467233
4.051986
-6.509236
other
Ag4C2O6
12
11
150.04
mp-998711
8.65251
1.68054
1.248771
other
Tl2Ge2F6
10
11
192.74
mp-25269
10.120871
7.999018
-6.657325
other
Ni4P6O20
30
11
343.15
mp-1046321
11.458637
10.583993
1.097981
other
Ca4Cr4O8
16
11
217.35
mp-1079050
11.553198
7.962221
-0.210507
other
La2As2O6
10
11
141.51
mp-1212825
-2.620152
-2.799035
-5.55108
other
Er6Sc2S12
20
11
444.13
mp-505663
1.376388
2.387597
-4.927331
other
Cs2Ti4Cl14
20
11
543.88
mp-1225691
-2.630829
-2.791035
-5.56251
other
Er6Sc2S12
20
11
432.86
mp-29849
-3.358199
-3.668529
0.432167
other
Ag6Sn2P14
22
11
440.26
mp-31234
-6.379133
-2.525787
1.347542
other
Ca8As14Ir16
38
11
710.7
mp-1210070
-6.172484
-1.277334
0.778346
other
Nd4Ni24P10
38
11
487.51
mp-1094018
-4.209149
-1.468672
-6.221738
other
Zn8Ga4S14
26
11
605.53
mp-1200097
-2.609141
-2.732596
-5.457487
other
La8Ho8S24
40
11
946.33
mp-567114
-6.529027
-5.00897
0.711064
other
Sr2Bi4Pd4
10
11
256.32
mp-1105931
-2.641547
-2.835981
-5.538031
other
Pr2Tm6S12
20
11
460.67
mp-625403
11.143592
4.248156
-3.324281
other
Nd2H6O6
14
11
138.52
mp-759694
11.732025
12.196757
1.980046
other
Mg4Ti14O30
48
11
550.82
mp-1281428
11.575321
12.078879
0.36937
other
Li8Cr4O8
20
11
200.46
mp-1181666
7.410809
6.81741
-4.60477
other
Fe2S2O14
18
11
285.26
mp-1356526
8.904293
8.042753
-5.086249
other
Fe6P6O26
38
11
501.09
mp-1018783
-3.385635
1.135591
2.941905
other
Li2Be2B2
6
11
63.1
mp-562480
-4.004117
-1.480064
-5.747364
other
Tl2In10S14
26
11
615.53
mp-1211993
-1.208887
2.700411
-2.617487
other
K4Fe2I8
14
11
588.63
mp-625147
11.966587
6.32892
-0.265928
other
Gd2H2O4
8
11
92.8
mp-28699
11.598021
13.525098
-1.428529
other
Li8V6O16
30
11
290.65
mp-28795
-5.335052
-3.15593
5.884728
other
La2Si4Ru2
8
11
153.07
mp-1200040
10.454229
8.164257
-1.085946
other
Na2Ga22O36
60
11
679.64
mp-1095608
8.075514
7.774613
-4.236816
other
K2P2O8
12
11
214.71
mp-769008
6.63387
9.519554
-1.090274
other
Li8Bi6O16
30
11
392.55
mp-779024
12.305915
12.754572
2.383875
other
Ti34N12O48
94
11
1,112.83
mp-1246718
0.944771
2.587907
1.698159
other
Li6W2N4
12
11
149.77
mp-1208291
9.552392
7.650436
-5.604587
other
Ti2P4O16
22
11
419.72
mp-569487
-6.299289
-5.381902
0.85488
other
Sm4Mn6Bi12
22
11
588.25
mp-1047920
13.809607
9.036575
-4.74348
other
Mo6P6O26
38
11
549.74
mp-752619
10.01118
2.794357
1.987938
other
Li2V2F6
10
11
119.44
mp-17746
-7.910042
-4.334019
3.139815
other
Hf6Ge6Pd6
18
11
300.76
mp-1216784
-4.973461
0.892805
-4.27831
other
Ti2Mo2S6
10
11
170.3
mp-1047485
8.241488
1.985297
-0.511079
other
Al2Sb6F30
38
11
653.08
mp-1189064
-2.681688
-2.789866
-5.37077
other
Ce2Er6S12
20
11
463.63
mp-30018
-1.183698
2.887685
-2.710053
other
Rb4Zn2I8
14
11
621.99
mp-1189434
-2.688248
-2.815749
-5.599578
other
Nd2Lu6S12
20
11
448.91
mp-997553
5.135647
11.316834
-2.286044
other
Fe8O14F2
24
11
257.87
mp-1245565
1.356294
2.51569
1.607808
other
Mg6Fe2N6
14
11
164.88
mp-31510
-5.692287
-2.459311
-1.690014
other
Nb2Cu2Te4
8
11
182.19
mp-1227365
7.328043
7.710981
-3.729733
other
Cd6N2O16
24
11
396.74
mp-1191721
3.339255
-0.756998
-2.257227
other
Ba2Re2H18
22
11
232.78
mp-1104543
-3.341571
-1.772193
-5.570156
other
Eu4Ge2S8
14
11
341.59
mp-1182642
9.655599
9.321716
-0.060916
other
Cd2Sn2O6
10
11
155.81
mp-1219414
-6.971983
1.475871
-4.17914
other
Sn6Mo30Se38
74
11
1,673.2
mp-20606
-3.22406
-2.04152
-5.835344
other
Tb6In10S24
40
11
904.2
mp-779127
12.304434
12.754486
2.382945
other
Ti34N12O48
94
11
1,113.39
mp-1188199
-2.693971
-2.738817
-5.548598
other
Pr2Y6S12
20
11
478
mp-1226725
-4.93171
-5.080116
0.230805
other
Cd1Sn1As2
4
115
117.64
mp-1228888
-3.358569
-3.889206
0.730954
other
Al1Ga1P2
4
115
81.52
mp-675564
10.021454
8.673863
3.155265
other
La2Th8O19
29
115
447.41
mp-753156
9.858441
8.655063
3.085792
other
La2Th2O7
11
115
182.61
mp-1018089
-4.824968
-3.277964
-4.055894
other
Ca1Zn1Se2
4
115
114.45
mp-1018079
-3.373213
-3.8165
0.762374
other
Cr1Ga1P2
4
115
81.49
mp-1434308
0.80253
2.51916
1.767511
other
Mg1Co2N2
5
115
60.46