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-1178963
9.366928
2.858891
1.326239
other
Ti1F3
4
166
46.29
mp-8628
-6.218099
-2.696169
-0.991564
other
Te4Pt3
7
166
171.04
mp-557762
-3.936413
-0.589406
-3.745929
other
Ti3S3
6
166
91.47
mp-2584
-7.783926
0.287058
5.762511
other
Tb3Fe9
12
166
188.19
mp-1216560
-5.962367
-7.008852
1.730592
other
Tl4Sn1
5
166
147.63
mp-1077925
-5.837136
-7.050547
2.715556
other
Na5Sn2
7
166
187.42
mp-1105572
-8.692794
-0.141037
4.448781
other
Ce2Co17
19
166
245.33
mp-1430160
-5.06756
-0.583857
-4.188565
other
Fe1S2
3
166
64.06
mp-1225722
-8.6622
-4.731256
3.195012
other
Cu5Ge2
7
166
98.53
mp-550206
6.201132
13.758779
-2.516312
other
Co1O2
3
166
55.87
mp-1640
-7.430662
-6.531252
6.594288
other
Ho2C1
3
166
66.93
mp-1102468
-8.239586
-0.855499
4.85421
other
U3Co9
12
166
161.7
mp-16932
-8.667332
-0.181203
4.427335
other
Th2Co17
19
166
243.54
mp-1226077
-8.64747
-5.561058
2.190633
other
Co1Au4
5
166
85.29
mp-622633
-6.334496
-1.960765
3.979666
other
Nb6Co7
13
166
222.05
mp-23229
1.366365
2.421417
-5.223538
other
Fe1Cl2
3
166
65.6
mp-7851
-7.132069
-0.593111
3.718787
other
Ta3Co9
12
166
140.06
mp-1334
-7.155783
-6.409307
6.415348
other
Y2C1
3
166
69.43
mp-1106043
-8.867922
-0.268707
4.815578
other
Sm4Co14
18
166
260.54
mp-1223656
-8.105354
-4.098029
2.943084
other
In1Pt1
2
166
37.55
mp-1103958
-8.658467
-2.625286
4.010976
other
Gd3Ir9
12
166
216.86
mp-561488
14.695875
6.17499
-0.418773
other
Si12O24
36
166
685.69
mp-1190915
1.667829
2.745864
-4.39788
other
Tc6Cl18
24
166
648.52
mp-555170
-2.984833
1.541486
2.7138
other
B12S1
13
166
113.3
mp-1215579
-8.512429
-4.25299
2.09623
other
Zn1Pd4
5
166
75.87
mp-1105040
-5.449476
-2.657014
3.470111
other
Ta6Zn7
13
166
199.09
mp-1218996
-6.375531
-6.411594
6.641057
other
Sm1Th1
2
166
65.26
mp-1094477
-7.994402
-9.680632
4.422219
other
Mg1Zn1
2
166
38.26
mp-23240
1.554811
2.334819
-5.205817
other
Co1Cl2
3
166
64.59
mp-1024
-5.828779
-5.811533
3.724818
other
Ca2Ge4
6
166
144.19
mp-1226850
-6.498327
-5.918027
5.44059
other
Ce3Sn1
4
166
112.49
mp-1079888
-4.730523
-1.654513
-2.834358
other
Ti4Se4
8
166
143.54
mp-1218357
-4.995845
-7.449358
3.655879
other
Sr1Ca1
2
166
99.72
mp-1393120
-5.225637
-0.544744
-4.309847
other
Fe4S8
12
166
202.44
mp-1051
-9.300591
-1.418146
2.908031
other
Er3Ni9
12
166
165.29
mp-567724
-4.680005
-0.992689
-2.922884
other
Ta1Se2
3
166
70.86
mp-1217954
-6.130917
-1.852944
3.508631
other
Ta13Ni13
26
166
367.31
mp-534
-2.757264
1.535447
2.582652
other
B13N2
15
166
108.04
mp-1039305
-6.133286
-6.048634
0.524185
other
Mg1Bi1
2
166
56.33
mp-1346
-2.676408
1.747494
2.740281
other
B12O2
14
166
102.43
mp-30710
-9.372309
-6.041957
4.29785
other
Pr2Zn17
19
166
304.48
mp-1216236
-7.530816
-2.191132
2.895967
other
V1Pt1
2
166
29.1
mp-1226997
-6.096334
-5.951865
5.666942
other
Ce4Pu1
5
166
118.12
mp-571655
-3.228971
1.525525
2.78405
other
B12C3
15
166
138.47
mp-542333
-4.875312
-1.719387
-5.724172
other
Cu9S5
14
166
208.87
mp-1094578
-6.287817
-9.411223
4.589281
other
Li1Mg1
2
166
42.06
mp-9568
-6.365412
-6.946523
3.854577
other
Li3Ga2
5
166
73.5
mp-30712
-9.392118
-6.087857
4.262435
other
Sm2Zn17
19
166
298.62
mp-1018275
-3.467427
-3.90503
0.562799
other
Ga2P2
4
166
84.1
mp-1229015
-8.356029
-3.614354
2.355
other
Ag1Pt1
2
166
32.12
mp-1220390
-8.616023
-6.006174
2.356261
other
Nb1Au4
5
166
90.36
mp-540789
-0.937593
2.348035
-3.023364
other
Pb2I4
6
166
273.02
mp-555037
-4.008168
-0.087968
-3.667037
other
Ta1S2
3
166
62.97
mp-1104956
-6.552761
-0.554542
4.291
other
Ta6Fe7
13
166
178.97
mp-1068510
-6.072737
-3.403166
-2.066812
other
In2Te3
5
166
160.28
mp-1186405
-6.420094
-5.117855
4.734921
other
Pa1Ni1
2
166
40.34
mp-28229
-5.838645
-3.947898
-1.819866
other
Bi4Te3
7
166
251.12
mp-1102252
-8.777446
-0.264363
4.897433
other
Tm3Co9
12
166
169.13
mp-558544
-5.090775
1.000065
-4.190735
other
Mo1S2
3
166
55.74
mp-1102437
-8.576163
-0.414025
4.7845
other
Th3Co9
12
166
181.3
mp-1224847
-8.03847
-1.128496
3.34875
other
Fe1Rh1
2
166
26.96
mp-1390618
9.875462
9.747056
-0.208603
other
Sn1O2
3
166
43.49
mp-1271793
7.106826
13.182655
-1.870654
other
Co6O8
14
166
144.75
mp-1173456
0.888886
2.200299
-3.789462
other
Ni1Br2
3
166
1,824.72
mp-30638
-7.74078
0.178032
5.608048
other
Th3Fe9
12
166
190.71
mp-2451
-6.968966
-4.363968
6.440312
other
Y3Al9
12
166
232.79
mp-1094571
-5.552269
-5.912032
0.428746
other
Mg1Sb1
2
166
51.29
mp-567747
-6.358579
-0.157426
3.423146
other
Co7Mo6
13
166
166.28
mp-1218218
-6.40816
-0.739692
4.258166
other
Ta13Fe13
26
166
363.96
mp-1221812
-7.134893
-0.78339
4.04857
other
Mn4Ga1
5
166
58.06
mp-1105569
-7.737944
1.029121
5.06041
other
Y2Fe17
19
166
260.12
mp-753746
8.195507
8.412927
-0.180825
other
Rb2O1
3
166
96.21
mp-990084
0.861837
1.986863
-4.544639
other
Na2Cl1
3
166
90.22
mp-25378
6.8471
11.326754
-1.311471
other
Cu1O2
3
166
34.26
mp-12648
-5.0847
-1.232368
4.644082
other
Ti2Be17
19
166
167.11
mp-669713
-9.220904
-1.41831
2.781412
other
Gd4Ni14
18
166
254.59
mp-1184066
-4.767542
-6.589657
3.795842
other
Cs1Th1
2
166
90.64
mp-1103885
-6.67082
-0.578818
4.144499
original
Nb6Fe7
13
166
181
mp-1215575
-8.629965
-5.763584
2.155325
other
Zn1Au4
5
166
88
mp-1216472
-0.127431
1.970783
2.44577
other
V4N3
7
166
68.17
mp-21446
-6.245823
-7.025624
2.792503
other
Ba3Pb9
12
166
415.2
mp-34202
-5.969657
-3.71404
-1.919677
other
Bi2Te3
5
166
181.77
mp-1228933
-7.978354
-0.540758
3.810452
other
Al1Co4
5
166
57.44
mp-1224388
0.839218
1.23676
2.784923
other
Hf3N2
5
166
68.72
mp-16506
-5.864668
-6.507215
4.260997
other
Li3Al2
5
166
80.13
mp-636403
-9.077017
-1.467451
2.907832
other
Pu3Ni9
12
166
177.23
mp-1226207
-7.889188
-2.523585
2.703034
other
Cr1Pt4
5
166
75.18
mp-1221442
-8.190263
-3.787102
2.308306
other
Mo1Pd4
5
166
77.32
mp-1217706
-6.813886
-6.613174
6.83629
other
Tb2Ce1
3
166
97.39
mp-1219773
-5.682456
-4.536784
3.503503
other
Pu3Al1
4
166
70.85
mp-1222945
-6.213738
-6.240227
6.037105
other
La1Ce4
5
166
138.34
mp-1222259
-6.59386
-6.283007
6.438482
other
Lu1Th1
2
166
61.17
mp-1510
-7.729432
0.994025
5.096414
other
Nd2Fe17
19
166
265.19
mp-580062
-5.895283
-3.816156
-1.866931
other
Bi8Te9
17
166
607.32
mp-1226295
-7.367963
-6.444015
3.273068
other
Cr1In3
4
166
86.19
mp-1222005
-7.102316
-0.953746
3.882663
other
Mn3Ge1
4
166
50.48
mp-1220368
-8.284631
-4.305764
2.289557
other
Nb1Pd4
5
166
80.02
mp-1422029
-5.307587
-0.645495
-4.942065
other
Mn1S2
3
166
63.91
mp-880
-7.735186
0.991934
5.136691
other
Pr2Fe17
19
166
267.2
mp-978288
-8.182216
-9.352633
5.07635
other
Mg3Ni3
6
166
85.44