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-1212194
8.68083
2.171412
0.394165
other
K4U6H8O12F16
46
40
814.97
mp-1194728
12.415566
6.415573
0.054255
other
Ba6Na2Gd6Si12O40
66
40
1,008.63
mp-1213903
12.562069
6.249657
-0.732384
other
Ca2Zn4Si4H2O14
26
40
344.44
mp-1205261
7.670004
5.381341
-5.31305
other
Li16Fe4C24Cl4O84
132
40
1,797.27
mp-1214671
12.722696
6.248774
-0.60894
other
Ba6Ca2Cu2Si12O34
56
40
854.47
mp-1236087
7.403825
11.589615
1.981745
other
Sr4Li1Mn2Ga2O11
20
42
249.73
mp-1224007
9.133851
1.976815
0.27066
other
K2Na1Mo1O3F3
10
42
157.29
mp-2222784
-4.366793
-1.394084
-5.977216
other
Mg1Cu2Sn1Hg1S4
9
42
205.81
mp-1229296
-5.260937
-2.613662
-4.059172
other
Cd2Fe3Cu10Sn5Se20
40
42
967.88
mp-1228545
7.548977
9.693686
1.436061
other
Ba2Sr2Y2Cu6O13
25
42
351.9
mp-1218716
7.397941
10.833664
1.258753
other
Sr2Pr2Tl1Ni2O9
16
42
220.28
mp-1226274
8.771032
1.109184
1.498241
other
Cs2K1Ti1O2F3
9
42
198.83
mp-1234916
10.5851
9.97802
1.662869
other
Sr4Mg1Mn2Ga2O10
19
42
295.25
mp-1281144
7.908373
11.447038
1.907986
other
Ba2Y2Mn2Co2O10
18
42
242.43
mp-1228232
6.180744
11.238144
0.518975
other
Ba4Ca1Nd3Co8O22
38
42
484.27
mp-1218316
9.885874
11.071187
2.030548
other
Sr1La1Ti1Fe1O6
10
42
169.42
mp-1236178
7.347965
11.556544
1.898379
other
Sr4Li1Mn2Ga2O11
20
42
251.88
mp-1215668
-4.886815
-1.944164
-5.399489
other
Zn1Cu2Sn1Se2S2
8
42
176.03
mp-677078
12.112024
6.773167
0.327344
other
Ca11Al1Si3Cl1O18
34
42
496.6
mp-1173844
9.882185
11.153577
3.288439
other
Na7La7Th2Ti18O54
88
42
1,063.78
mp-1218767
7.43423
10.812918
1.277212
other
Sr2Nd2Tl1Ni2O9
16
42
219.17
mp-1236297
9.241226
10.532497
1.952232
other
Sr4Li1Mn2Ga2O10
19
42
270.64
mp-1227787
-5.205904
-2.707069
-4.085753
other
Cd3Fe2Cu10Sn5Se20
40
42
981.57
mp-1218836
6.652016
10.696825
0.273
other
Sr2Eu2Tl1Ni2O9
16
42
218.48
mp-1223386
9.00619
1.815388
0.390451
other
K1Rb2Mo1O3F3
10
42
189.53
mp-1228381
7.518307
9.74528
1.508788
other
Ba3La1Y2Cu6O14
26
42
350.25
mp-1234059
-4.662306
-6.237232
1.101368
other
Rb2Ba8Ca1Sb6O2
19
42
750.93
mp-41191
14.318666
5.917654
-6.427262
original
Na3Ti2P2O10F1
18
42
226.96
mp-1173082
9.768935
11.067049
3.313207
other
Na3Sr4La3Ti10O30
50
42
602.66
mp-758713
11.89496
7.854232
-8.127483
other
Li6Mn4P4O16F6
36
42
435.24
mp-1218757
7.417616
10.798287
1.33046
other
Sr4La4Tl2Ni4O18
32
42
446.4
mp-1226443
10.55951
7.114681
-6.191215
other
K4P8Pt2Br2O22
38
42
829.37
mp-1218719
7.447723
10.819394
1.237574
other
Sr2Sm2Tl1Ni2O9
16
42
215.68
mp-1235276
-4.731317
-6.200045
1.049578
other
Rb2Ba8Li1Sb6O2
19
42
717.54
mp-2240049
-4.717528
-1.306676
-5.842837
other
Mg1Mn1Cu2Sn1S4
9
42
194.04
mp-2223602
-4.670873
-1.190667
-5.791403
other
Mg1Co1Cu2Sn1S4
9
42
184.01
mp-1218696
7.247522
11.082405
1.408978
other
Sr3La1Ga1Co2O9
16
42
228.78
mp-1223393
9.022943
1.851268
0.86598
original
K1Rb2W1O3F3
10
42
190.93
mp-1234090
-4.700504
-6.227657
1.079936
other
Rb2Ba8Mg1Sb6O2
19
42
738.98
mp-1233975
8.098069
11.066696
1.98936
other
Sr4Mg1Mn2Ga2O11
20
42
270.54
mp-1218422
10.634099
8.113418
2.054533
other
Sr5Ca1Al2O8F2
18
42
257.02
mp-1228705
7.597299
9.594573
1.422202
other
Ba2Sr2La2Cu6O13
25
42
365.52
mp-1236433
12.105201
10.130205
2.711765
other
Sr2Li1Ta2N2O4
11
42
141.33
mp-1229195
6.2402
11.385764
0.603622
other
Ba4Ca1Gd3Co8O22
38
42
468.01
mp-1215643
-4.889695
-2.013398
-5.246427
other
Zn1Cu2Ge1Se2S2
8
42
164.41
mp-1218819
7.537089
10.786378
1.218505
other
Sr2Gd2Tl1Ni2O9
16
42
214.79
mp-1228702
7.284368
9.924451
1.122327
other
Ba4Nd2Cu6Ni1O15
28
44
384.8
mp-1229134
-5.730342
-3.307275
-2.461155
other
Ag2Bi1Sb1Te2Se2
8
44
217.4
mp-1228011
8.12269
10.850108
1.640084
other
Ba1La2Fe2O5F4
14
44
181.39
mp-554911
13.111501
6.952239
-0.694965
other
K4Mn4Zn8Si8O30
54
44
771.66
mp-1224227
-4.199045
-1.296472
-5.833017
other
In2Cu1Ag1Sn2S8
14
44
311.97
mp-1217203
10.032261
9.239977
-0.763407
other
Ti1Bi8W1Cl2O16
28
44
446.48
mp-1227591
3.900177
2.536029
-3.124932
other
Cd2Ni2C8N12O1
25
44
564.84
mp-2219142
8.149349
10.472108
1.457102
other
Sr3Mg1Co2Cl2O5
13
44
227.4
mp-2240969
7.708417
10.540274
1.239341
other
Sr3Mg1Co2Cl2O5
13
44
247.8
mp-1208675
2.372401
2.409099
1.409644
other
Sr1Al4Si2N8O1
16
44
226.6
mp-1218884
6.804244
9.847949
-0.015707
other
Sr2Ca1Cu2Bi2O9
16
44
239.05
mp-581403
8.87149
1.284694
1.141148
other
K3Na4Si3B1F22
33
44
456.03
mp-2239851
2.693695
2.787369
-4.330624
other
Mg1Sb1S2N1Cl6
11
44
352.28
mp-1228620
7.335219
9.748797
0.58728
other
Ba2Ca2Tl2Cu3O10
19
44
277.71
mp-1226317
-4.88957
-1.279542
-5.169385
other
Cr2Ag2Sn2Se4S4
14
44
320.2
mp-763244
10.159474
2.443449
-2.481168
other
Zn2Fe2H8O4F10
26
44
273.04
mp-2226952
11.644291
9.571582
2.7567
other
La3Mg1Ti2N3O4
13
44
205.71
mp-1222666
8.843596
13.411708
-0.87446
other
Li1Mn2Cu1Ru2O8
14
44
154.37
mp-1216981
9.939625
10.740422
0.856465
other
Ti1Fe1Bi1Pb1O6
10
44
138.03
mp-1222686
8.534072
11.948945
-0.643447
other
Li1Cu1Ru2Rh2O8
14
44
158.36
mp-1236204
11.603688
8.267523
2.53733
other
Li1Tm1U2S3O2
9
44
167.9
mp-6875
12.947678
6.262553
-0.337758
other
Ba2Na4Al8Si8O32
54
45
742.16
mp-556356
12.967049
6.252728
-0.346345
other
Na4Sr2Al8Si8O32
54
45
693.62
mp-1228071
10.613759
12.306434
-3.55058
other
Ba4Mg4V8Cu4O32
52
45
679.25
mp-1173545
10.923053
12.163212
-3.439461
other
Rb4Mn2V4Cl4O12
26
45
555.36
mp-1217198
8.499049
7.762495
-4.929618
other
V4Cd4Ni4P8O52
72
45
1,055.09
mp-1227934
10.743779
12.354684
-3.519369
other
Ba4Mg4V8Zn4O32
52
45
686.58
mp-1201953
13.603574
4.269346
-2.21135
other
Ba6Al4B20H8O46
84
43
1,040.96
mp-1210489
13.013437
5.979188
-0.753826
other
Na4Al4Si6H4O20
38
43
560.99
mp-1176370
8.245681
4.855923
-7.063955
other
Na10Co4P2C8O32
56
43
691
mp-1178650
8.884422
7.460875
-4.651586
other
Zn2P4C8N2O16
32
43
603.71
mp-510599
12.274893
5.826543
-2.089678
other
Na4Al4Si6H8O24
46
43
643.82
mp-558288
8.197419
2.319559
-1.232101
other
Cd2As4S4O8F24
42
43
671.48
mp-542064
8.262341
2.318829
-1.212952
other
Mn2As4S4O8F24
42
43
673.1
mp-541986
6.850213
4.739916
-4.840585
other
K4La2H8N10O34
58
43
779.12
mp-1173798
12.864848
5.90882
-1.326084
other
Na4Al4Si6H8O24
46
43
582.94
mp-1224534
-3.425481
-0.754971
-4.856593
other
K8Ba2Ti12S40O2
64
43
1,456.29
mp-1212051
12.878054
5.982773
-0.717363
other
K4Al4Si6H4O20
38
43
649.71
mp-1197215
8.662794
2.689583
-4.751227
other
H24C4S2N20O16
66
43
604.43
mp-1183012
11.992
4.053175
-3.701431
other
Al4Si6H16N4O20
50
43
552.96
mp-1176447
8.285251
4.975384
-6.920191
other
Na10Ni4P2C8O32
56
43
681.38
mp-775934
8.79571
3.909357
-7.461374
other
Na10Cr4P2C8O32
56
43
677.06
mp-1198580
6.888945
4.709384
-4.826801
other
K4Nd2H8N10O34
58
43
769.87
mp-1199687
7.985387
0.249596
-4.459655
other
Si24As8H144C48O12
236
43
3,016.84
mp-1195051
11.759149
3.465657
-3.433456
other
Cd2B12H24N8O20
66
43
532.81
mp-776697
8.991526
3.799365
-7.300005
other
Na10Bi4As2C8O32
56
43
815.15
mp-705127
11.802779
8.633518
-5.736383
other
Mo8P12Pb8Br4O60
92
43
1,437.05
mp-1229265
13.615428
4.298492
-2.251928
other
Ba6Ga4B20H8O46
84
43
1,048.19
mp-1195650
9.111007
3.543599
-6.046963
other
Na4Ca2H8C4O16
34
43
350.39
mp-541987
6.850666
4.723807
-4.849746
other
K4Pr2H8N10O34
58
43
723.74
mp-769542
8.825823
3.924721
-7.448897
other
Na10Cr4As2C8O32
56
43
689.21
mp-778147
9.026809
3.793589
-7.313244
other
Na10Bi4P2C8O32
56
43
795.01
mp-698353
9.162972
3.472108
-5.57243
other
K2Bi2H20C8O26
58
43
623.92
mp-541094
8.553555
2.136059
-0.027288
other
Ta4Hg6S2O8F20
40
43
710.99