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-1232168
-2.815985
-2.676196
-5.110516
other
Ce4Mg2S8
14
122
301.67
mp-15704
2.839388
2.383292
1.72418
other
Be2Si2N4
8
122
66.7
mp-34472
-3.964001
-4.22927
-3.670401
other
Na2Nd16Se24
42
122
1,077.96
mp-675252
-3.223393
-2.235153
-5.251013
other
Yb4Mn2S8
14
122
281.97
mp-1102148
7.977194
7.794064
-3.86128
other
Cs2As2O8
12
122
246.14
mp-1246000
0.806911
2.594184
1.613546
other
Li2Mn2N4
8
122
87.3
mp-1232048
-4.145292
-4.179301
-3.847217
other
Nd4Mg2Se8
14
122
351.91
mp-1226237
-0.243781
1.225272
-4.608239
other
Cs4Ba2Br8
14
122
578.64
mp-4008
-4.675224
-4.698312
0.053521
other
Zn2Ge2As4
8
122
180.39
mp-758604
9.13602
0.788463
0.65232
other
Li2Ag2F4
8
122
113.52
mp-1232144
-4.225992
-4.073422
-3.798322
other
Gd4Mg2Se8
14
122
333.34
mp-33889
-2.722896
-2.753172
-5.822964
other
Tm4Mn2S8
14
122
275.8
mp-37386
-2.59714
-2.911143
-5.079858
other
La4Sm2S8
14
122
325.05
mp-1147778
-5.783238
-3.201026
0.606445
other
Co2Ge2As4
8
122
168.22
mp-574580
1.539139
2.607157
-5.410544
other
Tl16Pd12Cl40
68
122
1,939.93
mp-1173039
-5.400953
-3.725013
-2.249377
other
In4As2Se2
8
122
263.79
mp-1173369
-3.939207
-4.285562
-3.796444
other
Pr4Eu2Se8
14
122
369.27
mp-33615
-2.591377
-2.689501
-5.38658
other
Ba2La4S8
14
122
361.46
mp-675209
-2.66176
-2.657351
-5.751656
other
Dy4Pb2S8
14
122
310.76
mp-37859
-3.943969
-4.312344
-3.795176
other
Sr2Pr4Se8
14
122
376.34
mp-25932
13.138523
7.972284
-8.077076
other
Mn8P6O24
38
122
449.39
mp-1232208
-4.317769
-4.129297
-3.71249
other
Pm4Mg2Se8
14
122
348.83
mp-5342
-4.257803
-1.380721
-5.97368
other
Ga2Ag2S4
8
122
171.91
mp-37263
-5.771041
-3.865597
-1.482633
other
Ca2Nd4Te8
14
122
439.16
mp-1232088
-2.639017
-2.730529
-5.691275
other
Pr4Mg2S8
14
122
313.1
mp-1245970
0.859371
2.542599
1.738094
other
Mg2Mn2N4
8
122
91.42
mp-1206238
-4.81772
-4.751273
0.267138
other
Mn2Si2As4
8
122
185.22
mp-10572
3.358057
2.542633
0.611517
other
Na2P2N4
8
122
85.21
mp-3497
-5.154108
-0.931923
-5.461927
other
Fe2Cu2S4
8
122
141.71
mp-4175
-3.30195
-3.87529
0.549496
other
Zn2Sn2P4
8
122
180.59
mp-29108
8.41776
2.057409
-0.985827
other
Mn2As4F24
30
122
421.87
mp-1232392
-2.598817
-2.725671
-5.690804
other
Pm4Mg2S8
14
122
302.73
mp-556163
12.357808
6.673841
-0.848932
other
Zn4Si2O8
14
122
164.96
mp-1223181
-6.119965
-5.269323
2.120218
other
La8Sn2Sb4
14
122
465.03
mp-34459
-2.600033
-2.729425
-5.489716
other
Ba2Nd4S8
14
122
348.51
mp-33606
-3.983493
-4.336676
-3.760088
other
Ba2Pr4Se8
14
122
396.5
mp-37199
-2.752368
-2.968022
-4.841933
other
Ce2Nd4S8
14
122
314.84
mp-675013
-3.851819
-4.05896
-3.171342
other
Na2Ce16Se24
42
122
1,072.96
mp-2961
-3.109229
-3.858108
0.707988
other
Mg2Si2P4
8
122
166.44
mp-1232092
-2.75617
-2.688208
-5.612193
other
Sm4Mg2S8
14
122
297.74
mp-531296
-3.40843
-1.773959
-5.640658
other
Ge8Pb16S32
56
122
1,507.49
mp-726130
8.164519
7.699309
-4.306122
other
Rb2P2O8
12
122
244.48
mp-28089
-2.731137
-1.244954
-3.770378
other
P16Se12I8
36
122
1,191.57
mp-676498
-2.723294
-2.582125
-5.712376
other
Gd4Pb2S8
14
122
315.53
mp-1232187
-4.171339
-4.140799
-3.819242
other
Y4Mg2Se8
14
122
331.12
mp-22811
-5.23872
-2.793217
-4.185627
other
In2Cu2Se4
8
122
196.49
mp-37233
-2.792969
-2.673801
-5.686022
other
Nd4Cd2S8
14
122
318.4
mp-34713
-3.94178
-4.2746
-3.692828
other
Na2Pr16Se24
42
122
1,100.33
mp-1232106
-2.68896
-2.718104
-5.723632
other
Er4Mg2S8
14
122
279.18
mp-36223
-2.565046
-2.747828
-5.502803
other
Ba2Pr4S8
14
122
352.69
mp-38327
-2.571618
-2.749738
-5.549768
other
Ca2Tb4S8
14
122
296.5
mp-1232205
-4.499719
-3.778934
-3.827708
other
Yb8Mg4Se16
28
122
660.22
mp-36711
-4.00642
-4.222209
-3.633469
other
Na2Sm16Se24
42
122
1,044.77
mp-15701
2.673918
2.291352
1.719231
other
Mg2Si2N4
8
122
84
mp-1346055
-5.274774
-2.940518
-4.044633
other
Al2Cu6Se12
20
122
444.52
mp-1222798
-4.289804
-5.49523
5.111529
other
Li28Mg2Si8
38
122
598.75
mp-1223139
-6.961781
-6.366416
4.565285
other
La8Bi2Pb4
14
122
486.91
mp-1226961
-2.680241
-3.004066
-4.908975
other
Ce2Pr4S8
14
122
322.88
mp-33533
-5.500193
-3.833344
-0.752918
other
La4U2Te8
14
122
438.29
mp-1279004
11.764352
13.279338
-1.834075
other
Ti4V4O16
24
122
280.61
mp-622020
4.337417
2.449696
-3.428488
other
P8C24N24
56
122
1,042.79
mp-5238
-4.755203
-1.285828
-6.018171
other
Ga2Cu2S4
8
122
148.55
mp-36538
-2.605817
-2.611065
-5.602501
other
La4Pb2S8
14
122
341.85
mp-675856
-2.648725
-2.771495
-5.492861
other
Yb2Gd4S8
14
122
295.26
mp-1232161
-4.073761
-4.064912
-3.844792
other
Mg2Sc4Se8
14
122
302.69
mp-1203081
10.3092
9.170298
-2.064515
other
Cs8Te16O36
60
122
1,256.35
mp-4524
-3.426601
-3.787633
0.560844
other
Zn2Ge2P4
8
122
158.91
mp-1232121
-2.676435
-2.664507
-5.737299
other
Dy4Mg2S8
14
122
285.21
mp-29826
4.807851
2.025766
-2.723889
other
Zn4C4N8
16
122
209.09
mp-674348
-2.833388
-2.633203
-5.684777
other
Gd4Mn2S8
14
122
290.04
mp-1232042
-4.036503
-4.050021
-3.43521
other
Ce4Mg2Se8
14
122
344.18
mp-675740
-5.531847
-3.813484
-1.321043
other
Ca2Ce4Te8
14
122
440.47
mp-1232385
-2.649191
-2.719295
-5.734725
other
Tb4Mg2S8
14
122
288.01
mp-675244
-2.67412
-2.835727
-5.469322
other
Yb2Nd4S8
14
122
313.73
mp-1097013
-6.065701
-3.539657
-2.088659
other
K2Ga2Te4
8
122
305.57
mp-1232380
-6.044854
-3.218434
-1.96082
other
Mn2Cd2Te4
8
122
238.25
mp-1223286
-3.863689
-4.1714
-3.460892
other
La2Er4Se8
14
122
338.8
mp-1245631
1.357839
2.540033
1.980937
other
Al2Fe2N4
8
122
81.9
mp-1206018
-5.031826
-4.502716
0.206316
other
Mn2Ge2As4
8
122
193.79
mp-34255
-2.619938
-2.784953
-5.578024
other
Eu2Lu4S8
14
122
290.44
mp-36358
-2.622853
-2.70168
-5.535582
other
Ca2Gd4S8
14
122
300.5
mp-1264825
-4.639525
-1.2535
-5.866013
other
Al4Cu6S12
22
122
432.04
mp-1232295
-3.854926
-1.364511
-5.84291
other
Mg2In4S8
14
122
345.41
mp-36515
-3.58963
-4.183909
-3.197022
other
Pr4U2Se8
14
122
352.47
mp-675406
-2.58708
-2.790439
-5.56722
other
Yb2Ho4S8
14
122
287.14
mp-8016
-5.247161
-2.833539
-4.314829
other
Al2Cu2Se4
8
122
172.57
mp-36100
-2.688063
-2.735866
-5.450366
other
Ca2Sm4S8
14
122
307.22
mp-36407
-3.959709
-4.247756
-3.773423
other
Nd4Eu2Se8
14
122
364.75
mp-33392
-2.732083
-2.772366
-4.984675
other
Sr2Ce4S8
14
122
328.42
mp-1245566
1.564944
2.403265
1.919634
other
Mn2Al2N4
8
122
90.4
mp-1345658
-4.478618
-1.279568
-5.362386
other
Al2Cu6S12
20
122
403.18
mp-1232056
-4.790161
-3.017173
-3.913492
original
Mg2In4Se8
14
122
399.17
mp-1226163
-5.621012
-3.888509
-1.235869
other
La4Ce2Te8
14
122
457.14
mp-1223111
-6.410224
-5.658256
3.151263
other
La8Bi4Pb2
14
122
484.9
mp-36150
-2.748528
-2.954124
-5.043892
other
Sm4Tm2S8
14
122
297.71
mp-1245527
2.405429
2.29496
1.53813
other
Cd2Ge2N4
8
122
105.16
mp-20187
-4.811076
-2.952407
-3.989354
other
Li2In2Se4
8
122
210.41
mp-5213
-3.400416
-4.040496
0.650219
other
Cd2Sn2P4
8
122
204.35
mp-37045
-2.817733
-3.04636
-4.569967
other
Ce4Sm2S8
14
122
310.39
mp-676878
-3.096844
-2.389706
-5.188339
other
Yb4Eu2S8
14
122
284.98