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-1247188
-4.412838
-0.043676
-5.146787
other
Mg2Ti3W1S8
14
166
275.96
mp-1247305
-4.620982
-0.248179
-5.33532
other
Sm1Mg2V3S8
14
166
291.63
mp-1077553
1.947153
2.170468
1.121182
other
Sr2B1Br1N2
6
166
132.63
mp-1222120
-6.915211
-0.281925
3.534903
other
Mn4Fe8Si3Ge1
16
166
177.32
mp-757871
6.059782
13.592482
-1.572338
other
Li3Co1Ni3O8
15
166
137.87
mp-1246789
-5.253769
-0.59032
-5.08773
other
Mg2Fe3W1S8
14
166
265.56
mp-1221819
-8.175041
-3.951773
1.89539
other
Mn2Sn1Sb1Pd4
8
166
134.13
mp-757867
12.20162
7.489747
-7.386849
other
Li24Ni24P24O96
168
170
1,916.97
mp-758000
14.766512
7.855027
-5.427641
other
Li24Fe24P24O96
168
170
2,034.45
mp-850005
14.26512
7.455764
-7.048101
other
Li24Mn24P24O96
168
170
1,902.61
mp-757563
12.935855
7.646055
-7.238439
other
Li24Co24P24O96
168
170
1,964.66
mp-541657
7.434776
4.75835
-4.720719
other
Ba6H12N12O30
60
170
810.11
mp-758918
11.598002
7.382853
-7.195595
other
Li24Cu24P24O96
168
170
1,957.19
mp-758542
11.236434
7.61656
-7.262779
other
Li24Cu24P24O96
168
170
1,806.25
mp-683773
12.816992
7.255425
-7.019236
other
Na24Co24P24O96
168
170
2,197.95
mp-1227128
12.49915
7.601082
0.523703
other
Ca1Mg2Al6O12
21
174
191.29
mp-1223716
-7.033581
1.397753
-4.273515
other
K1In1Mo6Se6
14
174
360.75
mp-1225060
-7.323902
-2.514663
6.024372
other
Gd3Mn3Ga2Si1
9
174
179.49
mp-1191383
-4.465109
-3.179701
0.758056
other
Dy2Mn3Cu9P7
21
174
291.4
mp-19131
15.218961
5.530396
-2.340127
other
Li6Mn6B6O18
36
174
378.48
mp-1192171
-5.657512
-3.904001
0.495405
other
Nd2Mn3Cu9As7
21
174
338.59
mp-1176612
13.070215
5.363807
-3.108777
other
Li6Ni6B6O18
36
174
353.74
mp-1228139
9.719016
8.512422
3.219339
other
Ba1Ca2Y6O12
21
174
314.68
mp-1219866
-8.761559
1.589152
-3.289063
other
Rb1In1Te6Mo6
14
174
442.7
mp-1192355
-4.484233
-3.248895
0.765122
other
Ce2Mn3Cu9P7
21
174
296.52
mp-760509
8.907912
3.56594
-7.523878
other
Li3Cu3C3O9
18
174
183.68
mp-1216249
-7.195673
-2.453984
5.881718
other
Y3Mn3Ga2Si1
9
174
176.35
mp-1191281
12.060431
4.984152
-5.231694
other
La1P3H6O12
22
174
257.69
mp-1217644
-7.235859
-2.230467
5.92374
other
Tb3Mn3Ga2Si1
9
174
177.98
mp-1217753
-7.359753
-2.139432
5.705169
other
Tb3Mn3Ga2Ge1
9
174
179.17
mp-1216337
-7.359441
-2.172918
5.639769
other
Y3Mn3Ga2Ge1
9
174
177.26
mp-1225802
-7.465839
-2.116755
5.63482
other
Er3Mn3Ga2Ge1
9
174
174.15
mp-1228628
7.285943
8.643304
-1.209331
other
Ba2Sr1Yb6O12
21
174
321.57
mp-1218186
8.481788
11.684546
-1.674785
other
Sr1Mn1Te1O6
9
174
128.48
mp-1224422
-8.188397
-4.518547
3.538334
other
Hf6Ga6Pd4Pt2
18
174
312.16
mp-556063
12.088588
4.943231
-5.262267
other
Pr1P3H6O12
22
174
250.67
mp-1220941
-7.004025
1.364751
-4.260374
other
Na1In1Mo6Se6
14
174
362.2
mp-1191431
-4.345039
-3.257133
0.754743
other
La2Mn3Cu9P7
21
174
305.49
mp-756744
13.710464
5.439885
-3.023081
other
Li6Co6B6O18
36
174
356.14
mp-1220809
-5.41096
-2.023674
-1.478218
other
Nb12Tl1Te15As1
29
174
727.65
mp-1191913
-5.588494
-3.845469
0.547209
other
Ce2Mn3Cu9As7
21
174
335.03
mp-1191350
-4.588765
-3.024487
0.779067
other
Pr2Mn3Cu9P7
21
174
290.38
mp-1178725
12.848235
5.48633
-5.618699
other
Zn18B6P6O42
72
174
834.7
mp-756785
14.441491
8.156203
-1.569267
other
Li6V6B6O18
36
174
371.3
mp-1214762
2.45471
2.218938
1.434129
other
Ba18Si18C3N42
81
174
1,313.36
mp-1191473
12.084701
4.915562
-5.234754
other
Nd1P3H6O12
22
174
243.58
mp-1220717
-8.100301
-5.446634
5.308935
other
Nd7In6Ni5Ge3
21
174
474.56
mp-1220813
8.437484
11.948421
0.179249
other
Na1Li2Ru6O12
21
174
218.97
mp-1227814
9.830009
8.332069
3.187279
other
Ba1Sr2Tm6O12
21
174
312.03
mp-1214269
12.227551
6.533796
-0.727972
other
Ca6Si9Pb9O33
57
174
903.02
mp-1222592
-7.074772
1.428774
-4.292502
other
Li1In1Mo6Se6
14
174
349.65
mp-1176777
13.568961
5.505713
-3.003803
other
Li6Co6B6O18
36
174
366
mp-556702
8.33842
1.262766
1.722811
other
Ba6Eu1Cl2F12
21
174
417.05
mp-1202453
-3.201317
-1.737038
-5.069048
other
Ba24U9Hg9S54
96
174
2,722.01
mp-6126
13.772404
4.713767
-2.340311
other
Li3Cd3B3O9
18
174
204.27
mp-1191086
-4.394274
-3.196617
0.732315
other
Nd2Mn3Cu9P7
21
174
300.47
mp-1214422
8.293777
1.267998
1.716923
other
Ba7Br1Cl1F12
21
174
429.71
mp-1225690
-6.255596
-0.472037
1.714088
other
Er2Fe6Co6P7
21
174
252.06
mp-1192050
-5.622568
-3.919172
0.514012
other
La2Mn3Cu9As7
21
174
343.05
mp-756046
15.427545
6.518336
-2.129388
other
Li6Fe6B6O18
36
174
377.35
mp-754133
15.180301
6.593153
-2.069249
other
Li6Cr6B6O18
36
174
370.98
mp-756664
15.455661
6.505859
-2.106254
other
Li6Fe6B6O18
36
174
366.7
mp-1224174
-7.415023
-2.104439
5.71066
other
Ho3Mn3Ga2Ge1
9
174
174.09
mp-1228626
12.153894
6.810926
-0.813678
other
Ba2Si3Ge5O18
28
174
391.6
mp-756867
13.069797
5.425349
-3.017424
other
Li3Cu3B3O9
18
174
173.12
mp-1223004
-8.769713
1.626961
-3.296129
other
Li1In1Te6Mo6
14
174
403.02
mp-1225634
-7.298502
-2.250455
5.873732
other
Dy3Mn3Ga2Si1
9
174
174.71
mp-755271
13.226189
5.334985
-3.09762
other
Li6Ni6B6O18
36
174
345.92
mp-1176747
12.568093
5.689393
-3.100174
other
Li3Cu3B3O9
18
174
178.38
mp-1220063
-7.965728
-5.279614
5.272432
other
Pr7In6Ni5Ge3
21
174
478.21
mp-1223542
8.5008
11.94676
0.179302
other
K1Li2Ru6O12
21
174
223.52
mp-1224003
-7.250809
-2.145555
5.780795
other
Ho3Mn3Ga2Si1
9
174
172.11
mp-559533
8.552931
3.692758
-7.272964
other
Na9Li9C9O27
54
174
613.13
mp-756752
15.126132
5.558927
-2.350864
other
Li6Mn6B6O18
36
174
383.76
mp-1227790
9.711365
8.466129
3.223195
other
Ba1Sr2Y6O12
21
174
325.68
mp-557375
8.549049
3.70489
-7.272607
other
Na3Li3C3O9
18
174
203.96
mp-1216888
-7.482563
-3.141293
4.765485
other
U3Al3Co1Rh2
9
174
162.92
mp-1191920
-5.612216
-3.898039
0.523035
other
Pr2Mn3Cu9As7
21
174
342.03
mp-758997
8.721537
3.608855
-7.471742
other
Li3Cu3C3O9
18
174
182.09
mp-556717
-3.75561
-1.494954
-5.859445
other
Tl3Ga9S13O2
27
174
619.4
mp-1227528
12.838612
6.451173
-0.675051
other
Be6Al4Si12O37
59
177
695.5
mp-1194754
8.538289
2.130411
2.567503
other
Gd12Se6O6F12
36
176
610.87
mp-17777
11.894701
7.116966
-3.730987
other
Sr10As6O24F2
42
176
670.97
mp-569050
1.424968
3.236988
-4.812739
other
Na2W12N2Cl36
52
176
1,271.55
mp-510724
10.931808
7.65159
-2.431838
other
As6Pb10Cl2O18
36
176
690.93
mp-1209663
10.139564
8.957437
2.734611
other
Pr6Ta2Cl6O12
26
176
423.67
mp-1209886
10.300308
8.682183
3.00083
other
Nd6Ta2Cl12O8
28
176
572.52
mp-17020
12.074032
7.50727
-1.025575
other
Ti2Tl4Ge6O18
30
176
438.48
mp-1214147
10.880308
12.17538
-3.232983
other
Ca10V6C2O24
42
176
621.21
mp-1197728
11.386516
7.421434
-7.314837
other
Fe4B2P6O24
36
176
429.74
mp-16805
11.718833
7.298015
-0.850409
other
Cs4Ti2Ge6O18
30
176
489.04
mp-1214051
13.491525
5.586881
-5.960326
other
Ca10P6C2O24
42
176
557.99
mp-23141
13.323049
5.733924
-5.841066
other
Sr10P6Br2O24
42
176
644.63
mp-1212291
7.185779
8.04711
-3.608842
other
K2Na6Mo4O34
46
176
702.52
mp-1214584
13.751945
4.334012
-2.013174
other
Ba6Sm2B18O36
62
176
821.91
mp-558506
8.997429
1.408588
-4.445189
other
B2H18C6O6
32
176
300.39
mp-1214546
13.600687
4.428035
-2.122427
other
Ba6Yb2B18O36
62
176
806.83
mp-18859
8.60674
10.888676
-2.707666
other
Sr10Cr6O24F2
42
176
635.25
mp-1210668
14.23838
7.724759
-6.695947
other
Mn10P6Cl2O24
42
176
508.06
mp-23944
8.068196
5.030356
-3.916548
other
Ba2H12Cl4O22
40
176
469.68