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-1040942
6.823115
13.418804
-1.716221
other
Zn6Co12O24
42
156
449.48
mp-625656
11.640008
4.868673
-4.217908
other
Mn1H2O2
5
156
50.33
mp-36209
-4.500065
-3.89007
-3.962141
other
Tm1Cu1Se2
4
156
89.64
mp-1220247
-7.346484
0.221359
4.956717
other
Sc4Ti8Fe24
36
156
481.12
mp-1216648
-5.624693
-2.003114
-1.814471
other
Ti1Te1Se1
3
156
78.03
mp-1221646
-5.130059
-2.677793
-3.87133
other
Mn1Cd1Se2
4
156
109.19
mp-1220537
-3.939517
-0.026082
-3.863831
other
Nb4Ge1S8
13
156
282.01
mp-1226939
-5.875152
-3.105117
-2.760874
other
Cd2Te1Se1
4
156
128.25
mp-1216814
8.961846
2.74194
1.850929
other
U1O1F3
5
156
64.35
mp-1224272
-5.356272
-2.277449
-1.934682
other
Hf1Te1S1
3
156
83.28
mp-764245
11.525646
11.257938
0.463352
other
Mg7Mn5O12
24
156
250.81
mp-1222027
-6.14125
-0.137878
3.466287
other
Mn10C3N1
14
156
150.02
mp-1215675
10.275699
9.246845
-0.049256
other
Zn8Co2O10
20
156
237.16
mp-2227040
8.996218
14.887017
-0.764793
other
Mg1Mn2O4
7
156
87.11
mp-1028869
-10.02904
2.446825
-4.245648
other
Te6W4S2
12
156
407.65
mp-753211
-5.018879
-1.089187
-5.28214
other
Fe1Cu1S2
4
156
78.43
mp-755285
10.462831
6.295523
-4.230742
other
Fe4H4O8
16
156
157.08
mp-1025586
-7.749506
3.488445
-5.982824
other
Te2W3S4
9
156
288.42
mp-1100814
2.361011
2.268276
1.649812
other
Zn1Ge1N2
4
156
47.85
mp-625943
10.835876
4.711738
-4.293187
other
Co1H2O2
5
156
45.15
mp-1044896
6.955812
9.638555
-1.704635
other
Zn6Ag12O24
42
156
546.08
mp-1028598
-10.115375
2.438875
-4.291949
other
Te6W4Se2
12
156
420.26
mp-1028512
-7.430924
3.338871
-5.888999
other
Te2W4S6
12
156
389.99
mp-1215704
-7.222492
-1.182392
4.881054
other
Zr3Mn8Al1
12
156
197.09
mp-1226514
-5.232687
-2.796016
-4.154842
other
In1Cu1Se2
4
156
101.43
mp-1221748
-6.873274
-1.210819
4.460613
other
Mn8Nb3Al1
12
156
163.2
mp-676113
-4.113632
-1.334158
-5.812239
other
In1Ag1S2
4
156
97.18
mp-1226038
-6.509059
-2.534642
-1.759327
other
Cr5Te6Se2
13
156
321.73
mp-1228194
-8.19781
-3.860649
4.928552
other
Al6Co1Cu3
10
156
141.36
mp-1225664
-8.990972
-4.777438
2.640247
other
Cu1Ni1Au1
3
156
41.4
mp-1049224
7.236889
11.245336
-0.888796
other
Mg6Cu12O24
42
156
441.63
mp-686094
-4.096718
-0.208354
-4.657807
other
Ti36Cu12S72
120
156
2,236.26
mp-1217371
-9.395984
2.28119
-3.57161
other
Te3Mo2Se1
6
156
160.1
mp-1030274
-9.198347
2.275309
-3.58335
other
Te6Mo4S2
12
156
408.13
mp-12682
-5.940361
-3.312614
-2.105917
other
Na1Mn1Te2
4
156
126.48
mp-2217112
-3.937128
-0.261267
-4.540391
other
Mg1Ti3S6
10
156
209.11
mp-1027738
-8.317256
2.422921
-4.101241
other
Te4Mo4S4
12
156
388.86
mp-1224687
-5.11448
-0.894483
-5.416963
other
Fe2Cu1S3
6
156
111.99
mp-569933
-4.490908
-4.769227
1.584887
other
Hf1Cu1P1
3
156
62.19
mp-1027412
-8.326992
2.427006
-4.107022
other
Te4Mo4S4
12
156
374.98
mp-1239107
6.730743
7.919816
-2.945115
other
Mn2Ni1O14
17
156
225.63
mp-1225301
-6.045128
-3.662225
-1.76768
other
Dy1Ag1Te2
4
156
126.8
mp-1048867
12.914351
12.569034
-0.59084
other
V12Zn6O24
42
156
475.37
mp-1030565
-7.199148
1.667581
-4.528398
other
Mo2W2Se8
12
156
361.97
mp-1215475
-4.252537
-1.524194
-5.994313
other
Zn1Cd1S2
4
156
92.37
mp-1216007
-8.955659
-1.379706
2.864546
other
Y1Zr2Ni15
18
156
231.2
mp-1044943
12.85463
11.008468
1.795161
other
Ti12Zn6O24
42
156
468.37
mp-1217400
-7.419977
-1.370121
4.101561
other
Ti2Co3Ge1
6
156
85.03
mp-1218656
-4.158991
-0.202947
-3.733095
other
Ta6Cu4S12
22
156
407.65
mp-33335
12.522501
7.551729
0.5609
other
Mg6Al12O24
42
156
408.04
mp-1041014
12.963444
12.55429
-0.57519
other
Mg6V12O24
42
156
472.26
mp-1027682
-7.838786
2.207759
-4.227967
other
Te2Mo4Se6
12
156
380.86
mp-1028414
-7.199374
1.667475
-4.527407
other
Mo2W2Se8
12
156
361.92
mp-1025937
-9.182441
2.427822
-3.579204
other
Te4Mo3S2
9
156
321.52
mp-1216072
-8.003885
-5.857742
5.626881
other
Y2Ga3Ag1
6
156
125.37
mp-1222324
-6.298683
-6.469545
3.411828
other
Li3Zn3Ge3
9
156
150.32
mp-780569
11.23572
10.2359
2.800041
other
Ba8Nb7O24
39
156
586.71
mp-753212
9.674302
1.878609
-0.041983
other
Li1V1F6
8
156
136.51
mp-1044647
12.84901
11.015186
1.78669
other
Ti12Zn6O24
42
156
467.95
mp-1225615
-8.275749
-6.084384
5.005132
other
Er2In3Cu1
6
156
142.66
mp-2225272
-5.309852
-0.234483
-5.763159
other
Mg1Cr2S4
7
156
140.04
mp-1030721
-9.44612
2.316243
-3.581441
other
Te6Mo4Se2
12
156
420.39
mp-1027642
-9.187222
2.278716
-3.610814
other
Te6Mo4S2
12
156
407.43
mp-532294
-4.357862
-4.140484
-3.812702
other
Er24Cd12Se48
84
156
2,435.46
mp-1221396
-4.511192
-1.052289
-2.971663
other
Na1Nb2Se4
7
156
162.86
mp-1026350
-10.152415
2.450611
-4.234179
other
Te4W3Se2
9
156
336.33
mp-677241
-4.568475
-3.810741
-3.896493
other
Lu1Cu1Se2
4
156
88.6
mp-1025787
-7.34514
1.643461
-4.631311
other
Mo1W2Se6
9
156
293.88
mp-675371
-6.045627
-3.414076
-2.32718
other
In6Ag6Te12
24
156
872.41
mp-1028420
-6.937459
1.650587
-4.280421
other
Mo3W1Se8
12
156
361.86
mp-1223840
-6.0646
-3.662851
-1.789929
other
Ho1Ag1Te2
4
156
128.62
mp-1222129
-3.260843
-4.13718
0.754523
other
Mg2Zn1P2
5
156
91.31
mp-1227309
2.807786
2.381438
1.714999
other
Be1Si1N2
4
156
34.18
mp-1224525
-5.318397
-4.29916
0.682883
other
Li12Cu11As12
35
156
518.86
mp-1219121
-7.515205
-1.120961
5.561205
other
Sm1Er3Mn8
12
156
190.06
mp-675349
-4.631608
-3.829397
-3.929064
other
Dy1Cu1Se2
4
156
91.85
mp-530146
12.545193
7.545362
0.511857
other
Mg12Al24O48
84
156
789.82
mp-1217750
-8.217921
-6.183722
5.206436
other
Tb2In3Cu1
6
156
144.81
mp-626149
11.256804
4.351437
-4.035352
other
Mg1H2O2
5
156
45.78
mp-1222133
-5.219868
-4.757023
0.391149
other
Mg2Mn1As2
5
156
104.33
mp-1225680
-3.419334
-3.86325
0.572355
other
Cu1Ge2P3
6
156
120.44
mp-1215471
2.441448
-0.339696
-1.406394
other
Zr2H1C1
4
156
52.86
mp-2647001
-6.064511
-6.452016
0.78601
other
Mg3Bi1Sb1
5
156
138.68
mp-1103879
-9.281718
-1.142641
2.908065
other
Ca2Ni10H1
13
156
170.14
mp-1226934
-4.543446
-2.006984
-5.233898
other
Cd2Se1S1
4
156
112.09
mp-1221485
-5.464932
1.553169
-4.486081
other
Mo2Se1S3
6
156
117.35
mp-1222173
-9.281225
-6.260442
4.284081
other
Mg3Sc1Zn8
12
156
194.2
mp-1217890
-4.215135
-0.384074
-3.400774
other
Ta1Se1S1
3
156
65.33
mp-625072
10.36578
4.741094
-4.172069
other
Ni1H2O2
5
156
42.5
mp-2225036
-5.204685
1.277563
-4.396973
other
Mg1Mo2S4
7
156
147.71
mp-1227757
-8.471802
-6.309023
2.142619
other
Ca3Bi1Au14
18
156
365.4
mp-2240000
-3.943705
-0.26381
-4.575891
other
Mg1Ti3S6
10
156
202.69
mp-1224446
-7.128175
0.006481
4.834281
other
Hf3Ta1Fe8
12
156
170.64
mp-1044668
7.182434
11.091022
-0.949012
other
Zn6Cu12O24
42
156
445.25
mp-1225405
-8.259246
-6.265012
5.293097
other
Dy2In3Cu1
6
156
143.53
mp-1044933
7.152179
10.856248
-0.611215
other
Ca6Cu12O24
42
156
503.84
mp-1025988
-5.556291
1.561703
-4.499832
other
Mo3Se2S4
9
156
256.97
mp-1215399
-5.81091
-1.505938
3.823729
other
Zr3Si1Mo8
12
156
214.27
mp-1206764
-7.040587
-6.630435
2.914754
other
Ca3Ag3Sn3
9
156
226.01
mp-1028488
-6.523047
2.278787
-5.639086
other
W4Se4S4
12
156
338.53