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-1225500
-7.06552
-4.446634
6.425992
other
Dy1Ho1Al4
6
216
119.3
mp-567685
-8.572876
-6.260492
6.289454
other
Er16In4Ir4
24
216
611.54
mp-961696
-6.986706
-0.966627
3.774615
other
Mn1Co1Si1
3
216
39
mp-962060
-4.489583
-5.338173
5.768704
other
Na1Y1Si1
3
216
81.07
mp-1226470
-8.664125
-0.532369
4.941778
other
Ce1Y1Co4
6
216
89.48
mp-1008911
-5.332781
-4.315747
0.659497
other
Li1Mn1As1
3
216
54.41
mp-1009048
8.606492
8.695264
-0.201228
other
K1Ag1O1
3
216
57.85
mp-849476
9.070844
0.793347
0.606543
other
Li17Ag12F29
58
216
916.9
mp-1024987
-9.56879
-4.834672
3.954565
other
Ho1Cu4Ag1
6
216
87.81
mp-5318
-6.627667
-2.678148
0.880287
other
Mn1Co1Sb1
3
216
49.93
mp-3861
-5.32713
1.128548
-4.37998
other
Al1Mo4S8
13
216
236.2
mp-1222117
-6.298928
-10.797257
5.675377
other
Mg4Si1Ge1
6
216
125.54
mp-1226561
-7.651503
0.036647
5.71369
other
Ce1Sm1Fe4
6
216
92.65
mp-22197
-8.685282
-2.091953
3.018768
other
U1Ni4Sn1
6
216
86.65
mp-31460
-6.281761
-2.931465
1.571971
other
Nb1Co1Sb1
3
216
53.59
mp-631280
-7.404305
-1.604091
4.361687
other
Mn1Tc1Os1
3
216
49.82
mp-4474
-4.836689
0.276587
-4.808241
other
V4Ga1S8
13
216
228.77
mp-16519
-8.812166
-2.018251
3.07691
other
U1Al1Ni4
6
216
79
mp-2218282
-4.628382
0.205328
-4.793258
other
Mg1V4S8
13
216
260.1
mp-1210662
-8.246951
-6.417378
6.415922
other
Lu16Cd4Ni4
24
216
563.81
mp-1024983
-9.011913
-1.591809
2.923533
other
Er1In1Ni4
6
216
83.86
mp-631388
-7.72444
-1.760803
4.283606
other
Cd1Ir1Ru1
3
216
56.29
mp-1206262
-9.498653
-4.756139
4.114615
other
Er1In1Cu4
6
216
90.84
mp-1217477
-7.651665
-0.02968
5.800653
other
Tb1Pr1Fe4
6
216
101.63
mp-1100399
-4.228854
-7.480913
3.379788
other
Hf1Ag1B1
3
216
55.09
mp-1226473
-7.771842
-0.088645
5.852947
other
Ce1Y1Fe4
6
216
99.71
mp-1206364
-6.770367
-2.021443
1.529194
other
Mn2Ni1Sb1
4
216
55.1
mp-1207094
-7.344803
-6.273583
2.930038
other
Mg1Cu1Pb1
3
216
65.58
mp-567076
-6.220637
-5.936251
0.549114
other
Li2Bi1Au1
4
216
79.06
mp-505297
-6.369742
-3.249798
1.554026
other
Nb1Sb1Ru1
3
216
58.88
mp-1226723
-7.95218
-6.180021
2.356488
other
Cd1Sn1Au1
3
216
76.44
mp-567957
-7.982956
-6.751679
6.958002
other
Sm16Mg4Rh4
24
216
678.88
mp-631288
-2.684028
-7.70415
1.896835
other
La1Ge1Os1
3
216
76.72
mp-631497
-5.90531
-6.092494
0.627578
other
Be1In1Bi1
3
216
86.46
mp-961674
-7.922859
-3.252566
3.53386
other
V1Ge1Pt1
3
216
51.23
mp-570769
-9.363091
-4.850246
3.95171
other
Ca1In1Cu4
6
216
92.82
mp-1206992
-6.627862
-4.702854
0.82784
other
Lu1Bi1Pt1
3
216
72.27
mp-1219953
-7.090445
-4.567322
6.441503
other
Pr1Dy1Al4
6
216
125.35
mp-1227292
-4.813122
-1.568289
4.470567
other
Be4Cu1Ge1
6
216
60.92
mp-1211476
-7.528768
-6.256495
6.32498
other
La16Mg4Rh4
24
216
746.38
mp-1222604
-6.569789
-7.318741
2.952992
other
Li2Tl1Cd1
4
216
77.82
mp-867863
-9.6307
-4.958033
4.024197
other
Sm1Cu4Ag1
6
216
90.87
mp-631468
-4.661059
-7.195193
3.908093
other
Sr1Sc1Be1
3
216
83.87
mp-1072598
-9.159732
-1.446125
2.828374
other
Er1Cd1Ni4
6
216
83.21
mp-1009132
-6.63936
-5.029154
0.906595
other
Ho1Bi1Pd1
3
216
73.85
mp-1206664
-6.038038
-6.176282
3.998405
other
Li2Zr1Al1
4
216
70.99
mp-1206691
-9.486462
-4.450291
3.86194
other
Tb1Cu4Pd1
6
216
85.94
mp-1221898
-7.428596
-1.380143
3.641916
other
Mn2Ge1Ru1
4
216
54.23
mp-1104320
-4.01574
-0.199094
-4.652009
other
Ti4Ga1S8
13
216
250.14
mp-1222012
-5.053823
-1.475282
4.643546
other
Mg1Be4Cu1
6
216
60.96
mp-631508
-2.34354
-7.837286
2.219434
other
La1Re1B1
3
216
56.63
mp-22289
-7.263995
-0.869421
3.347879
other
Mn2Co1Ge1
4
216
47.13
mp-1227318
-4.69663
-1.752695
4.534433
other
Be4In1Cu1
6
216
65.05
mp-961658
-5.170081
-1.691067
-2.735975
other
V1Fe1Se1
3
216
43.3
mp-631538
-5.792975
-5.538548
1.714606
other
Ni1Bi1B1
3
216
49.27
mp-759877
9.752627
0.434712
0.203819
other
Li4Cu1F7
12
216
145.41
mp-1215942
-7.732066
0.006345
5.815599
other
Y1Sc1Fe4
6
216
93.85
mp-569313
-5.214314
-3.220141
5.978182
other
Mg6Si16Ir6
28
216
454.78
mp-1025001
-9.323787
-1.543265
2.761994
original
Er1Ni4Au1
6
216
81.04
mp-1221618
-5.235435
-0.972592
4.559789
other
Mn1Be4Al1
6
216
55.95
mp-2219176
-5.330362
-0.706669
-5.128571
other
Mg1Mn4S8
13
216
241.01
mp-1206022
-9.569207
-4.847654
4.079424
other
Tm1Cd1Cu4
6
216
89.3
mp-631413
-5.37131
-1.336868
3.917332
other
Re2P1Cl1
4
216
61.02
mp-631430
-6.737714
-4.927161
4.716057
other
La1In1W1
3
216
79.55
mp-631525
-3.828504
-7.875279
1.667215
other
K1Hg2B1
4
216
97.09
mp-22377
-6.077839
-3.53129
1.876142
other
Zr1Co1Sb1
3
216
63.23
mp-1222624
10.474958
4.086552
-7.221966
other
Li2S1O4
7
216
114.62
mp-1100441
-4.000807
0.82835
2.634634
other
Cr1Cu1B1
3
216
32.71
mp-568366
-8.191914
-6.440174
6.596948
other
Tb16Cd4Rh4
24
216
627.8
mp-1221963
-3.323284
-0.163225
3.705357
other
Mg1Be1B1
3
216
35.77
mp-1226019
-5.648896
-0.735923
-3.925207
other
Co5Ni1S8
14
216
205.48
mp-961686
-5.616071
-3.029608
4.946035
other
Hf1Si1Ni1
3
216
50.61
mp-1213984
-6.933122
-5.607354
5.544131
other
Ce16Mg4Rh4
24
216
660.41
mp-30587
-9.426555
-4.550673
3.740909
other
Mg1In1Cu4
6
216
84.9
mp-1100414
-6.767538
-2.741517
4.597336
other
V1Si1Rh1
3
216
46.83
mp-631274
-3.72081
-4.660876
0.904436
other
K1Fe1P1
3
216
65.51
mp-961679
-7.319391
-4.062449
3.347261
other
Ta1Al1Pt1
3
216
57.89
mp-569779
-6.415951
-4.465022
0.754257
other
Sc1Sb1Pd1
3
216
64.01
mp-3307
10.539124
4.162392
-7.006155
other
Ba1S1O4
6
216
101.21
mp-1213425
-8.536696
-6.499236
6.500157
other
Dy16In4Ir4
24
216
629.98
mp-961712
-7.453248
-4.824284
3.167296
other
Ta1Tl1Pt1
3
216
63.28
mp-1224689
-8.63752
-0.488018
5.009876
other
Gd1Er1Co4
6
216
91.46
mp-1100412
-6.099007
-2.399928
-0.288572
other
Ti1Te1Ru1
3
216
57.84
mp-1215441
-6.97682
-4.56896
6.178021
other
Yb1Y1Al4
6
216
124.08
mp-1226700
-8.800857
-0.613457
5.10224
other
Ce1Pu1Co4
6
216
83.85
mp-999558
-7.086573
-1.177997
3.359091
other
Mn2Si1Ni1
4
216
45.38
mp-1212947
-7.903694
-6.441006
6.414138
other
Er16Mg4Ni4
24
216
604.41
mp-999566
-6.604283
-2.786092
1.000172
other
Mn2Cu1Sb1
4
216
60.38
mp-3477
-5.463603
-5.020743
0.279868
other
Mg1Ag1As1
3
216
62.45
mp-1206028
-8.049092
-3.183925
2.570039
other
U1Pd1Pt4
6
216
105.22
mp-961700
-6.410975
-1.970055
2.231139
other
Ti1Co1As1
3
216
49.71
mp-961682
-7.909812
-4.615065
2.688917
other
Ti1Sn1Pd1
3
216
58.88
mp-30583
-8.050852
-7.615956
3.235206
other
Zr1Cu1Hg2
4
216
77.11
mp-13082
-6.983885
-0.890296
3.561248
other
Mn2Co1Si1
4
216
44.85
mp-631506
-5.368991
-6.783509
3.982404
other
Sr1Zr1Co1
3
216
70.86
mp-1227277
-5.746974
-1.000133
4.410614
other
Be2Co1Si1
4
216
37.74
mp-1209686
-7.964892
-6.739792
6.707152
other
Pr16Cd4Pt4
24
216
722.8
mp-1206908
-6.501902
-3.106421
1.379236
other
Ti1Sb1Rh1
3
216
60.21
mp-1222668
-6.094254
-6.616421
4.423703
other
Li2Al1Ga1
4
216
60.15
mp-1224316
-6.089084
-1.334376
3.910353
other
Hf1Al1W4
6
216
107.17