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-3038
-4.661265
-2.973422
-4.11488
other
Al2Hg1Se4
7
82
183.2
mp-29391
3.433601
2.953187
-4.156038
other
Sb4Cl12F8
24
82
604.92
mp-752483
8.390722
1.31519
0.049595
other
Li1Bi1F5
7
82
109.36
mp-755718
9.764389
1.419312
1.686042
other
Li2Fe1F4
7
82
99.76
mp-38442
-4.068164
-4.28685
-3.773927
other
Cs1Nd5Se8
14
82
383.28
mp-2218828
8.639341
14.838644
-1.184054
other
Mg1Mn4O8
13
82
175.02
mp-698680
8.911723
13.263813
-1.122252
other
Fe21Ni9O40
70
82
780.52
mp-7907
-4.840789
-3.034096
-4.155331
other
Al2Zn1Se4
7
82
169.04
mp-34034
-3.472811
-4.870086
1.37127
other
Ba8P5Br1
14
82
484.84
mp-755451
-0.302741
0.735257
-3.722366
other
Ba2La4Br16
22
82
811.32
mp-1188581
3.800719
-0.713354
-2.588632
other
Si5H8Cl4
17
82
313.14
mp-1025299
-6.059213
-3.563684
-2.304016
other
Tl2Cd1Te4
7
82
268.29
mp-1181848
-3.56072
-1.135058
-5.72094
other
Cd1Hg1S4
6
82
143.02
mp-34913
-2.69151
-2.946652
-5.028451
other
Nd5Er1S8
14
82
311.81
mp-1196667
7.777942
7.486433
-4.303011
other
Al16As9O76
101
82
1,748.25
mp-1078168
-4.983677
-2.830549
-4.004253
other
In2Cu1Se4
7
82
191.35
mp-1201569
11.105433
10.89634
1.120584
other
Sc10V5O25
40
82
442.62
mp-774246
10.932921
11.98342
2.580764
other
Nb9V1O25
35
82
488.5
mp-13949
-6.058349
-3.403839
-2.262165
other
Cd1Ga2Te4
7
82
230.29
mp-15776
-4.875973
-2.701396
-3.991171
other
Zn1Ga2Se4
7
82
169.39
mp-1077144
-2.533704
-0.308895
-4.86367
other
Cd1Hg1S4
6
82
162.65
mp-763098
10.141236
0.857121
1.507922
other
Li2Mn1F4
7
82
98.56
mp-662556
-2.864822
-0.236818
-3.564727
other
Re4Te8Br16
28
82
962.41
mp-17677
11.034508
11.96809
2.665234
other
Nb9P1O25
35
82
481.51
mp-38077
-2.861102
-2.779789
-4.818859
other
K1Ce5S8
14
82
320.97
mp-571370
-6.600178
-0.455815
2.240039
other
Fe8Ni4P4
16
82
177.54
mp-1023124
-4.772024
0.068049
-4.438699
other
Co2Mo1S4
7
82
131.3
mp-23412
2.736606
2.807
-4.404778
other
Sb4Cl16F4
24
82
681.34
mp-23702
8.361993
1.174616
-4.050815
other
Li4H8N4
16
82
124.22
mp-3167
-4.511297
-2.636609
-3.970402
other
Hg2Ge1Se4
7
82
190.64
mp-760343
11.212291
7.741317
-6.991369
other
Fe4P4O16
24
82
402.93
mp-37829
-4.005488
-4.095127
-3.712322
other
La5Tl1Se8
14
82
385.69
mp-1221979
-6.109693
-3.347874
-2.090193
other
Mn1In2Te4
7
82
247.92
mp-2225385
-5.211003
-0.218948
-5.759668
other
Mg1Cr2S4
7
82
159.99
mp-7849
11.76579
7.245707
-4.190207
other
Al1As1O4
6
82
97.06
mp-36592
-4.057281
-4.186983
-3.759943
other
Nd5Ag1Se8
14
82
355.52
mp-863435
11.372087
8.054453
-4.644604
other
Co9As6O24
39
82
458.11
mp-761078
12.11583
11.811259
2.080942
other
Na9Ti20O40
69
82
821.3
mp-38162
-4.09955
-4.211362
-3.719477
other
Sm5Cu1Se8
14
82
341.76
mp-637263
-6.730652
-3.397507
4.034187
other
Zr10Al2Ni8
20
84
345.02
mp-601376
11.053491
10.338662
-0.663876
other
Fe4Sb8O16
28
84
395.29
mp-22690
8.47672
1.446218
-0.070233
other
Tb2Cd2F12
16
84
228.34
mp-1178215
13.320682
0.413133
0.820599
other
Fe4O4F4
12
84
132.52
mp-3252
10.133784
9.325306
-1.884614
other
Sr2Te6O16
24
84
318.07
mp-20154
8.180985
1.393511
0.290285
other
Ca2Tb2F12
16
84
238.46
mp-980659
1.499311
2.483595
-5.54259
other
Tl6Bi2Cl12
20
84
604.16
mp-1101109
-5.6904
-1.442123
2.458899
other
Ti4As8W6
18
84
315.04
mp-601882
11.193717
9.981664
-0.396513
other
Fe4Sb8O16
28
84
485.98
mp-8203
-2.569498
-0.437324
-5.239338
other
Zr2P4S12
18
84
439.92
mp-649084
-8.661366
-0.359582
5.070327
other
Sr4B16Ru14
34
84
422.27
mp-560340
8.234616
10.218492
1.424023
other
La4Pd4O10
18
84
252.71
mp-560444
12.227301
12.129622
-2.138328
other
Cs4V8O18
30
84
501.7
mp-1209848
8.206712
10.269351
1.401698
other
Nd4Pd4O10
18
84
242.54
mp-1181812
5.454462
-0.460206
-3.062817
other
Ca2B4H16
22
84
212.45
mp-1190219
6.51012
1.310799
-3.618142
other
Li8H4N4
16
84
128.97
mp-1102385
-3.318962
-1.322263
-4.861181
other
Cu4C4S4
12
84
253.07
mp-725147
2.516154
2.943554
-4.272501
other
Mo2N6Cl12
20
84
585.65
mp-14249
-2.420633
-0.557963
-5.219392
other
Th2P4S12
18
84
487.56
mp-505219
12.27306
12.209109
-2.041941
other
Rb4V8O18
30
84
475.02
mp-1188821
-1.289191
2.76601
-2.488398
other
Cs6La2I12
20
84
1,017.79
mp-1147637
8.195419
9.719759
1.875266
other
La4Cu4O10
18
84
248.23
mp-20326
-2.582448
-0.544479
-5.046032
other
U2P4S12
18
84
473.77
mp-28177
2.000955
2.69546
-4.95507
other
Na2Sb2Cl12
16
84
439.16
mp-655085
11.122394
10.1505
-0.245601
other
Fe4Sb8O16
28
84
385.51
mp-20209
8.670588
10.220674
0.750695
other
Eu8Re4O20
32
85
460.97
mp-1104527
14.183355
6.135603
-6.977825
other
Ta2P2O10
14
85
172.33
mp-1101036
-5.910479
-3.982186
-2.20208
other
Tl90Sb10Te60
160
85
5,440.68
mp-755692
10.867887
11.756297
-3.997427
other
Nb2V2O10
14
85
203.49
mp-760054
9.087549
2.780454
1.262527
other
Sn18O8F20
46
85
879.81
mp-1047863
7.521206
12.789197
-1.699588
other
Mn8Zn2O18
28
85
348.67
mp-1041400
9.476638
9.763722
-0.107303
other
Mg2Sn8O18
28
85
337.1
mp-21964
-4.670632
-1.694582
-5.745546
other
Tl4Cu28S16
48
85
791.14
mp-28041
9.199853
7.372505
-2.059924
other
Pb18Br20O8
46
85
1,302.43
mp-1047828
7.418181
12.4255
-1.78221
other
Mg2Mn8O18
28
85
345.09
mp-1048023
12.809522
10.497614
-0.507578
other
Ca2Mo8O18
28
85
393.69
mp-1041407
9.450889
9.778771
-0.282988
other
Zn2Sn8O18
28
85
339.76
mp-763482
10.443127
9.003154
-6.168455
other
V2P2O10
14
85
156.49
mp-1041114
10.214067
9.670707
-0.614401
other
Mg2Sb8O18
28
85
441.11
mp-1040874
10.878018
11.97541
2.370519
other
Ca2Ti8O18
28
85
379.83
mp-561944
8.092124
11.467151
0.436926
other
Ba4Ru24O48
76
85
943.94
mp-1041381
8.830508
11.52094
-2.688038
other
Zn2Cr8O18
28
85
347.22
mp-1047836
7.292464
12.262663
-1.528225
other
Ca2Mn8O18
28
85
373.41
mp-504818
12.329412
9.012794
-5.186221
other
Mo2P2O10
14
85
162.31
mp-1273693
5.779335
10.095287
-1.88705
other
Na16Fe4O20
40
85
509.16
mp-1244818
6.454429
11.64047
-1.78132
other
Zn2Co8O18
28
85
328.26
mp-1047822
12.771391
10.515413
-0.639504
other
Zn2Mo8O18
28
85
386.64
mp-19277
9.636515
5.274144
-6.718173
other
V2S2O10
14
85
155.29
mp-759035
9.710103
2.292731
0.4723
other
Li2V2F10
14
85
211.56
mp-559299
10.2719
8.972701
-6.286003
other
V2P2O10
14
85
161.31
mp-23444
7.833596
2.341588
-1.375917
other
As4Cl8F12
24
85
464.9
mp-1199974
8.737644
1.245022
1.208372
other
Al24Pb40F152
216
85
3,066.69
mp-756450
9.307398
8.124549
-5.395584
other
Cr4P4O20
28
85
360.59
mp-556920
11.770894
8.228492
3.13992
other
Tb18Sb10O10
38
85
866.54
mp-556015
11.895487
8.371817
2.997965
other
Dy18Sb10O10
38
85
865.73
mp-1379871
5.657648
11.194187
-1.879083
other
Zn2Fe8O18
28
85
366.74
mp-2408554
5.7665
10.141796
-1.852485
other
Na16Fe4O20
40
85
512.69
mp-15922
11.162376
10.015107
1.703896
other
Gd8Re4O20
32
85
420.36
mp-561233
11.818173
8.285415
3.08524
other
Sm18Sb10O10
38
85
921.96
mp-5160
8.573734
1.828603
-0.612281
other
Ag2B2F10
14
85
175.04
mp-1040872
11.030478
12.196945
2.177927
other
Mg2Ti8O18
28
85
355.49