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-1212522
8.513925
2.57762
-4.71661
other
H10C4N6O6
26
9
241.83
mp-1197785
8.548102
1.411852
-4.354124
other
H24C4S8N8
44
9
521.19
mp-773179
6.955132
13.951464
-1.718765
other
Li4Ti2Co6O16
28
9
261.57
mp-1226195
9.105078
6.833483
-3.5799
other
Cs6H2Se4O16
28
9
587.22
mp-769658
11.147221
12.846662
0.39549
other
Li8Ti4Fe4O16
32
9
307.12
mp-752582
10.452108
12.777005
-2.850034
other
Li8V2O8F2
20
9
233.65
mp-585319
14.795609
7.732392
-5.575571
other
Li16Fe16P16O64
112
9
1,453.75
mp-706566
5.739027
3.366248
-4.662509
other
Co12C26Se4O24
66
9
1,123.97
mp-1193133
12.461775
5.198432
-2.504158
other
Ce2B8Cl2O16
28
9
334.08
mp-761193
11.459536
7.539423
-6.759968
other
Li2Cu8P6O24
40
9
423.65
mp-1224755
13.768455
8.459807
-4.342711
other
Fe8As4O16F4
32
9
413.93
mp-1226269
11.454498
10.883307
-3.473555
other
Cs8Fe2Mo6O24
40
9
875.86
mp-1224820
-4.80294
-2.271524
-4.833306
other
Ga2Ag2Se2S2
8
9
191
mp-777666
12.200491
13.435761
-0.881139
other
Li4V6Cr2O16
28
9
290.12
mp-1046856
11.778907
11.774164
1.891123
other
Nb4Zn4Cr2O16
26
9
310.05
mp-1221214
-4.698104
-5.44609
0.475529
other
Na8Eu4Si2As8
22
9
565.17
mp-585279
14.387685
7.252365
-7.12394
other
Li16Mn16P16O64
112
9
1,489.21
mp-2715461
13.951395
4.586928
-6.995083
other
Na18La12P18O72
120
9
1,914.34
mp-1220224
2.653229
2.324397
-3.531256
other
Pb2C2I6N4
14
9
546
mp-557892
-2.832896
-0.918556
-5.47495
other
Ba2Li2B6S12
22
9
509.49
mp-1218733
13.360135
5.469841
-6.307871
other
Sr18Fe2P14O56
90
9
1,322.61
mp-1176762
13.801087
7.269227
-6.998245
other
Li6Mn6P18O54
84
9
1,094.1
mp-1177709
9.403108
8.028373
-5.90637
other
Li6Cr8P10O48
72
9
886.59
mp-778325
12.608644
13.295376
-0.737916
other
Li4Ti2V6O16
28
9
291.51
mp-1226879
13.146441
5.95946
-6.38886
other
Cs6Nd6P24O72
108
9
1,824.99
mp-765488
10.792945
8.912232
-7.387274
other
Li6V6P16O58
86
9
1,182.77
mp-689979
10.632909
8.081841
-7.231186
other
Li2Fe2P4O14
22
9
300.14
mp-761763
6.373922
13.8933
-1.883655
other
Li4Fe2Co6O16
28
9
272.66
mp-1176798
12.60541
7.574525
-7.389385
other
Li16Co16P16O64
112
9
1,400.83
mp-1229273
9.996854
3.031248
-3.95825
other
As2H50Cl20O20
92
9
1,224.99
mp-1302912
12.600534
13.086621
-1.813145
other
Li8V4O8F8
28
9
294.57
mp-765018
11.374393
8.9189
-7.764735
other
Li8V6P16O58
88
9
1,160.19
mp-758192
11.047057
7.567811
-7.059247
other
Li2Cu2P2O8
14
9
179.93
mp-1193891
8.348574
1.765378
-0.571734
other
Rb4Te4O4F16
28
9
557.53
mp-1211887
12.946241
6.833638
-6.830191
other
K4Ni2P8O24
38
9
538.32
mp-731744
3.876045
2.906579
-3.814954
other
Fe2S8Br8N10
28
9
807.39
mp-753230
8.039995
4.373361
-6.974906
other
Li2Fe2C4O12
20
9
244.75
mp-863394
10.789509
8.911036
-7.381789
other
Li6V6P16O58
86
9
1,177.13
mp-1181831
9.708992
4.137404
-4.296544
other
H26Se4N6O16
52
9
649.71
mp-1181146
6.471422
5.999248
-3.910089
other
Mg4Cd2Cl12O24
42
9
814.69
mp-772239
12.697543
8.708744
-7.928317
other
Li12V6P16O58
92
9
1,172.38
mp-1192998
-3.876903
-1.156298
-5.709704
other
In4Ag4Ge2S12
22
9
535.81
mp-697789
11.350432
7.921762
-7.513063
other
Li2Cr2P4O14
22
9
305.42
mp-1191200
-4.698668
-2.906782
-3.844801
other
Li4In4Ge2Se12
22
9
599.63
mp-831163
15.220582
5.505174
-2.345577
other
Li4Mn4B4O12
24
9
252.26
mp-863360
10.793209
8.906435
-7.392451
other
Li6V6P16O58
86
9
1,183.69
mp-1196329
10.925986
4.108839
-4.15163
other
K4As2H26O20
52
9
572.39
mp-757283
13.999849
8.376477
-7.512076
other
Li16V6P16O58
96
9
1,181.98
mp-1190453
-2.612159
-2.401129
-5.701206
other
Pr6As2S10Cl4
22
9
545.25
mp-1222398
-4.653371
-2.806122
-3.741331
other
Li2Ga2Ge4Se12
20
9
562.17
mp-767636
8.977928
15.220964
-0.608965
other
Li4Mn8O12F4
28
9
311.65
mp-556590
9.440016
0.652905
0.437959
other
Ba2Fe2Cu2F14
20
9
277.99
mp-1182402
7.441005
12.041232
-1.020936
other
Ba2Yb2Co8O14
26
9
364.12
mp-1211176
-3.363799
-1.202767
-5.673422
other
Li12As2S10I2
26
9
556.03
mp-757909
12.120033
4.939634
-5.123611
other
K8P8H16O32
64
9
825.68
mp-1221216
-4.753577
-5.404894
0.480327
other
Na8Eu4Ge2As8
22
9
591.64
mp-683600
7.88469
9.832875
-3.885353
other
K6Cr8P2O32
48
9
846.56
mp-720262
11.414626
6.160701
-2.615703
other
Al4Si4H8O18
34
9
453.96
mp-1192622
12.907928
4.833251
-2.345039
other
Pu2B8Cl2O16
28
9
329.44
mp-1019805
9.803378
4.717244
-6.376647
other
K4B4S16O56
80
9
1,251.78
mp-1224423
7.718029
4.950719
-5.708602
other
Na12Cr4C24O68
108
9
1,543.87
mp-697757
10.13947
8.114248
-6.517859
other
Li2Cr4P6O24
36
9
447.25
mp-759033
12.082914
7.558553
-7.549953
other
Li2Fe2P8O24
36
9
430.25
mp-706588
10.923861
12.134165
-3.330945
other
Na18Nd6V12O48
84
9
1,200.83
mp-753928
14.289952
12.30968
-0.570533
other
Li2V4O4F6
16
9
183.41
mp-644925
11.311617
10.846063
-3.492042
other
Cs10Bi2Mo8O32
52
9
1,119.02
mp-1197320
-2.473181
-0.518689
-5.294715
other
Cs6Hf4P10S36
56
9
1,636.22
mp-1228690
7.834126
10.51151
1.711265
other
Ba12La4Fe8O30
54
9
880.92
mp-761138
10.571968
1.102316
1.803543
other
Li4Mn8O2F16
30
9
373.95
mp-767777
12.943653
6.76381
-1.180202
other
Li4V2Si12O30
48
9
656.73
mp-6748
12.923688
6.291366
-0.763203
other
Cs4Ti2Si12O30
48
9
710.57
mp-1192892
7.963314
11.739614
-0.542889
other
Ba2Tm2Co8O14
26
9
360.38
mp-777279
10.31278
1.558749
1.813678
other
Li20Fe4O4F20
48
9
448.32
mp-1190138
-3.566931
-1.36666
-5.778965
other
Na4In4Si2S12
22
9
551.68
mp-1192423
7.931099
11.701534
-0.579582
other
Ba2Y2Co8O14
26
9
369
mp-26327
10.711185
7.464441
-6.542388
other
Li12Bi6P16O58
92
9
1,328.08
mp-1255429
7.218822
11.84583
1.57246
other
Ca12Mn6Al4O30
52
9
659.02
mp-1308000
10.126184
0.385306
0.033163
other
Li8Co4O2F14
28
9
303.43
mp-2713150
13.265085
3.548821
-8.961548
other
Zr12Si6S12O72
102
9
1,657.97
mp-696156
12.371007
5.142791
-2.650623
other
Ca6Si4H12O20
42
9
439.61
mp-1196230
7.465358
3.408979
-5.117324
other
Pb6C12N12O16
46
9
585.83
mp-1296462
-3.745657
-4.027341
-3.867467
other
La16Fe4Se24O4
48
9
1,185.55
mp-1204560
6.129094
5.40976
-4.460787
other
Rb4Ce2N10O38
54
9
921.39
mp-1177549
8.856004
14.043234
-1.01362
other
Li6V2Fe6O16
30
9
289.11
mp-1214180
12.707548
9.7701
-0.51192
other
Ca2As2W4O8
16
9
319.57
mp-1218530
13.419704
7.595673
-6.77304
other
Sr4V2P4O18
28
9
336.74
mp-1046839
11.758765
11.53643
1.978766
other
Mg4Nb4Cr2O16
26
9
307.22
mp-1193360
11.523899
5.658256
-2.802653
other
Pr2B8Cl2O16
28
9
350.74
mp-759765
7.639917
13.609282
-0.840127
other
Li10Fe2Ni6O16
34
9
297.88
mp-755030
13.860649
5.450222
-2.852814
other
Li2Mn4B4O12
22
9
246.67
mp-723466
11.08625
11.012988
-2.24035
other
Na16Te8W16O72
112
9
1,575.55
mp-26262
11.083428
7.775605
-7.184869
other
Li2Cu2P8O24
36
9
475.62
mp-1222344
12.333704
6.926038
-1.143589
other
Li2Ta2Ge2O10
16
9
207.64
mp-1664953
12.654305
12.709518
-0.742799
other
Li4V6Te2O16
28
9
314.81
mp-1220047
-4.645821
-3.241698
-3.675228
other
Pr4Si4Pb2Se16
26
9
730.4
mp-1221155
-3.415589
-4.636525
0.801598
other
Na8Sr4Ti2P8
22
9
566.89
mp-776573
8.35436
13.68012
-1.176567
other
Li4Fe8O12F4
28
9
310.08
mp-746690
11.503606
5.347621
-5.391819
other
Fe2P6H12O18
38
9
423.96
mp-757509
12.725104
8.682318
-7.955511
other
Li12V6P16O58
92
9
1,161.48
mp-558407
-3.906864
-1.435469
-5.858395
other
In4Si2Ag4S12
22
9
523.54