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-1225787
-6.788664
-6.689472
3.731457
other
Eu2In3Cu1
6
25
159.87
mp-1216073
-7.19697
-4.207129
5.574519
other
Y2Ni1Ge3
6
25
118.82
mp-2278932
2.787684
2.570398
-4.004562
other
W1Cl2O2
5
25
124.54
mp-1222316
-4.970068
-4.086223
5.948936
other
Lu2Si3Pd1
6
25
110.03
mp-849774
9.943693
12.221416
-4.253632
other
V16Cr1O41
58
25
788.1
mp-1226783
-6.033293
-3.400736
-2.497343
other
Cd4Te3Se1
8
25
269.15
mp-1219609
-4.102493
-1.417882
-5.386415
other
Rb1Cu1S3
5
25
114.99
mp-1215838
-8.89037
-2.034387
3.627898
other
Zn15B6Rh17
38
25
471.71
mp-1048150
9.999823
9.175821
0.427618
other
Ba2Sb3O7
12
25
202.85
mp-1225919
-6.849943
-6.654862
3.673493
other
Eu2In3Ni1
6
25
158.9
mp-530787
10.578403
9.79002
3.927583
other
Y6Zr22O53
81
25
1,007.44
mp-1226998
-7.63204
-4.774329
4.968901
other
Ce4Ni3Pt1
8
25
169.36
mp-1218362
-4.058714
-5.362436
5.392939
other
Sr1Ca3Si4
8
25
198.4
mp-1219354
-8.180125
-6.201718
5.562481
other
Sm2In3Ni1
6
25
148.14
mp-1217797
-7.320176
-5.589803
3.833986
other
Tb4Fe1Sn8
13
25
330.9
mp-1221919
-5.320927
0.577708
3.152775
other
Mn3B8Mo3
14
25
125.54
mp-1217641
-7.264501
-5.428684
3.771055
other
Th4Fe1Sn8
13
25
350.02
mp-1226768
-5.054192
-2.877899
-3.902146
other
Cd4Te1Se3
8
25
251.05
mp-1223411
-7.633253
-5.332844
3.629162
other
La4Ni3Sn8
15
25
378.45
mp-675526
-6.88585
-1.169618
2.077318
other
Fe6Co6As6
18
25
223.93
mp-1219909
-8.165451
-6.261784
5.230204
other
Pr2In3Cu1
6
25
157.16
mp-1220330
-6.934242
-4.882516
6.287687
other
Nd2Al3Ge1
6
25
138.92
mp-1220640
-5.62192
-3.82364
-1.004565
other
Nd4U2Te10
16
25
523.95
mp-1219202
-8.046015
-4.992982
5.764639
other
Sm2Ga3Co1
6
25
125.06
mp-776258
8.00056
11.014019
-0.452974
other
Mg8Cu22O30
60
25
628.4
mp-1219929
-6.957107
-4.905694
6.189887
other
Pr2Al3Ge1
6
25
141.5
mp-2240124
-4.035342
-0.193493
-4.545095
other
Mg1Ti2S6
9
25
160.07
mp-1236342
14.220946
7.014504
-0.654621
other
Li1Si5O10
16
25
344.38
mp-1215950
-5.361238
0.402487
3.272082
other
Y1B4W3
8
25
95.52
mp-1216475
-5.212362
0.433135
3.165847
other
V3Re1B4
8
25
73.77
mp-1223935
-4.948514
-4.12223
5.874217
other
Ho2Si3Pd1
6
25
116.38
mp-675504
-5.245772
-4.582107
0.588954
other
Li19Mn9As12
40
25
661.89
mp-867706
9.862244
12.166183
-4.271951
other
V16Fe1O41
58
25
781.11
mp-1215752
-8.546953
-2.030071
3.918308
other
Zn6B5Ir11
22
25
275
mp-1219927
-7.376412
-5.409373
6.389565
other
Pr2Al3Ag1
6
25
143.03
mp-1221771
-5.5734
0.487881
3.169078
other
Mn3Cr3B8
14
25
112.63
mp-1219188
-7.292056
-4.193513
5.502724
other
Sm2Ni1Ge3
6
25
125.64
mp-1222557
-7.217884
-5.608427
3.663583
other
Lu4Co1Sn8
13
25
319.08
mp-1173034
10.062
8.709076
3.126923
other
La2Th8O19
29
25
432.62
mp-1224155
-8.495398
-5.936973
2.070558
other
In3Sn1Au12
16
25
308.55
mp-1217652
-7.309955
-5.566641
3.729383
other
Tb4Co1Sn8
13
25
330.05
mp-1216609
-5.331749
-3.319859
5.116151
other
U2Si3Ru1
6
25
108.49
mp-1225565
-7.015795
-4.333529
5.433054
original
Dy4Cr1Ge8
13
25
269.95
mp-1224253
-7.267687
-5.670371
3.873147
other
Ho4Fe1Sn8
13
25
329.34
mp-1217974
-5.327592
0.256067
3.281169
other
Ta1B4W3
8
25
84.61
mp-1219384
-4.97648
-3.842058
5.930401
other
Sc4Co1Si7
12
25
198.74
mp-1048495
6.432644
11.120741
-0.476295
other
Ba2Fe3O7
12
25
182.25
mp-1228830
-3.824056
0.311642
2.683992
other
Al1W1C2
4
25
42.34
mp-1225815
-7.012597
-4.056433
5.398157
other
Er4Mn1Ge8
13
25
263.34
mp-1218379
-3.990043
-5.586308
5.300864
other
Sr4Ga1Si3
8
25
228.53
mp-531103
10.665552
9.89626
4.017008
other
Y2Zr24O51
77
25
920.69
mp-1220455
-5.849763
2.072309
-5.220992
other
Nb1W3S8
12
25
231.93
mp-1224342
-4.978965
-3.997756
5.893975
other
Hf1Sc3Si8
12
25
200.26
mp-1048496
6.599002
11.308899
-0.921285
other
Ba2Co3O7
12
25
181.9
mp-1220433
-6.651593
-2.56808
3.255105
other
Nb4Co1Pt3
8
25
129.89
mp-1229118
-7.644991
-6.331919
1.936719
other
Ag6Sn1Sb1
8
25
153.51
mp-1221393
-4.729867
0.011349
2.949781
other
Mo1W1C2
4
25
41.65
mp-1217578
-5.366867
-3.63558
0.109912
other
U12Ge3Te20
35
25
999.02
mp-1224149
-7.089632
-4.391362
5.174119
original
Ho4Ge8Pd1
13
25
271.12
mp-1219233
-7.409323
-4.287096
4.935741
other
Sm2Ge3Pt1
6
25
131.91
mp-757254
8.058048
11.096111
-0.431774
other
Mg12Cu30O42
84
25
865.91
mp-676556
10.525826
9.70753
3.910957
other
Sm2Zr8O19
29
25
347.23
mp-1223887
-4.749839
-5.037374
0.271382
other
In4As3P1
8
25
230.84
mp-2240411
-4.020541
-0.210935
-4.548661
other
Mg1Ti2S6
9
25
159.36
mp-1221109
-7.337305
-5.730704
3.970126
other
Nd4Fe1Sn8
13
25
349.22
mp-1225872
-7.317268
-5.582803
3.677422
other
Er4Ni1Sn8
13
25
325.62
mp-753775
-1.179609
1.897323
-1.734324
other
Ba1Ca1I4
6
25
266.88
mp-1217802
-7.034324
-4.07138
5.462747
other
Tb4Fe1Ge8
13
25
265.94
mp-1219799
-7.164539
-1.757976
1.724586
other
Ni6Sn1Sb1
8
25
100.13
mp-1216273
12.908442
10.574511
0.128377
other
W2C1O1
4
25
46.63
mp-1224357
-7.013323
-4.157325
5.462275
other
Ho4Mn1Ge8
13
25
266.33
mp-1206215
-2.512792
0.519641
2.424459
other
Er4Ni2C5
11
25
149.62
mp-1216247
-6.901042
-4.541559
5.438414
other
Y4Al1Ge8
13
25
276.38
mp-1216820
-5.190907
-3.215943
5.052234
other
U2Cu1Si3
6
25
108.69
mp-1228314
-7.286688
-7.65448
2.078941
other
Ba6Zn2Hg20
28
25
823.43
mp-1219950
-7.486715
-5.493443
3.710579
other
Pr6Ni3Sn14
23
25
578.95
mp-1215854
-7.277597
-4.784883
3.821579
other
Yb2Ge3Pd1
6
25
129.84
mp-1226886
-5.197866
-3.720171
5.719079
other
Ce4Si9Rh3
16
25
294.34
mp-1225889
7.954333
7.648695
-4.315523
other
Cu2As1O6
9
25
118.49
mp-1224552
-7.276492
-5.66767
3.759342
other
Ho4Ni1Sn8
13
25
326.09
mp-1220341
-7.661864
-3.976329
5.304666
other
Nd2Ge3Ir1
6
25
133.99
mp-1227450
-7.469622
-4.374305
0.915838
other
Bi3Pd12Pb1
16
25
283.34
mp-1225862
-7.073775
-4.282344
5.194452
other
Er4Cu1Ge8
13
25
261.11
mp-1222658
-7.003811
-4.365384
5.255326
other
Lu4Cu1Ge8
13
25
256.96
mp-1205529
-2.546311
0.529272
2.511448
other
Tm4Ni2C5
11
25
147.47
mp-1218103
-7.601976
-1.667771
2.90984
other
Ta4Cu3Ni9
16
25
200.61
mp-1223891
-8.459746
-6.110507
2.305371
other
In3Sn1Au4
8
25
170.74
mp-1226855
-8.129555
-4.557486
5.005438
other
Ce3Y1Rh4
8
25
174.49
mp-1226632
-5.774192
-0.775696
2.443408
other
Cr24P11C1
36
25
422.66
mp-1217630
-8.12024
-5.361807
5.876076
other
Tb3Sm1Ni4
8
25
160.58
mp-1218380
-6.983668
-7.065458
3.37563
other
Sr1Ca3Ag4
8
25
229.1
mp-1274911
11.876321
10.614342
0.850305
other
Ba4V4O10
18
25
272.21
mp-1101033
9.937035
8.079799
-1.503527
other
Ti1Pb15O17
33
25
644.81
mp-1226862
-6.730953
-4.837092
5.40398
other
Ce2Al3Sn1
6
25
145.39
mp-758194
8.020345
11.039641
-0.461595
other
Mg8Cu22O30
60
25
619.59
mp-1225706
-2.92768
-3.855473
0.903128
other
Cu1Si2P3
6
25
138.1
mp-1220025
-8.159639
-6.137656
5.443785
other
Pr2In3Ni1
6
25
154.57
mp-1217540
-8.067269
0.235145
4.98066
other
Th2Fe5Co5
12
25
173.47
mp-1048539
8.153255
10.955448
-0.429568
other
Ba2Cr3O7
12
25
190.75
mp-1219834
-8.473219
-6.18148
2.456163
other
Pr2Sb1Au3
6
25
149.35