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-1228923
-6.373306
-0.996367
4.247458
other
Al1Cr2
3
69
37.93
mp-614565
6.948441
9.867048
-1.694797
other
Cu1O2
3
69
57.3
mp-1217117
-5.61553
-3.035875
3.870548
other
Ti4V1
5
69
81.94
mp-1217110
-6.102178
-3.046532
3.936422
other
Ti4Ru1
5
69
81.66
mp-1224880
-7.379805
-0.111871
3.919075
other
Ga1Fe2
3
69
37.99
mp-8262
-3.498828
-4.305562
0.699722
other
K4P6
10
69
286.78
mp-678
-7.571058
-9.946515
4.260578
other
Mg54Ag17
71
71
1,482.25
mp-11514
-7.739835
-2.890266
2.8761
other
Nb1Pt2
3
71
47.88
mp-1080629
-4.27947
-4.975544
-3.418219
other
Ce18Se36
54
71
4,891.42
mp-11549
-8.492484
-4.046534
2.210857
other
V1Pd2
3
71
42.52
mp-1103536
-9.135829
-6.355822
4.78227
other
Y3Zn11
14
71
244.52
mp-1206884
4.108837
2.717112
-2.954696
other
K1N2
3
71
63.84
mp-1057787
-3.60546
-4.587793
0.857196
other
K1P1
2
71
75.67
mp-11028
-7.07106
-7.541841
1.756495
other
K3Hg11
14
71
420.55
mp-889
-5.243925
0.572916
3.217109
other
Cr3B4
7
71
54.98
mp-981551
-6.62697
-4.381752
5.028594
other
Pr1Ge5
6
71
126.23
mp-1025170
-4.596703
0.653811
3.076443
other
Ti3B4
7
71
67.9
mp-667368
15.597075
5.655569
0.352762
other
Si32O64
96
71
1,967.83
mp-570991
-5.12112
-2.857007
4.596815
other
Ti1Si2
3
71
42.49
mp-1217591
-7.622362
-6.984646
3.126061
other
Yb12Cd72
84
71
2,005.74
mp-10118
-5.601942
0.45484
3.108101
other
Mn3B4
7
71
57.02
mp-1178680
7.049113
8.080446
-3.170601
other
Zn6O12
18
71
255.41
mp-1219283
-7.516925
-7.036263
2.883748
other
Sr12Cd72
84
71
2,125.87
mp-1017983
-5.894837
-0.951747
3.576632
other
Ti1Mo3
4
71
62.62
mp-1185758
-4.979068
-5.301821
0.454251
other
Mg4As2
6
71
128.08
mp-1211615
-0.365658
0.58106
-0.078782
other
K1C2
3
71
74.68
mp-1210106
-0.076379
0.733962
-0.555946
other
Na1C2
3
71
52.47
mp-15078
15.628072
5.666214
0.366368
other
Si18O36
54
71
1,013.83
mp-1077156
-6.67154
-4.381793
5.088278
other
Nd1Ge5
6
71
126.25
mp-1219002
6.841134
8.706404
-2.639529
other
Sn3O8
11
71
156.67
mp-1191287
-5.928344
-1.250481
4.101867
other
V12Si10
22
71
295.62
mp-984703
-6.697242
-4.41043
5.03465
other
Ce1Ge5
6
71
120.47
mp-1411551
8.314442
1.402849
-0.566888
other
Bi1F5
6
71
86.16
mp-1225758
1.392478
2.139122
0.907718
other
Cu3N1
4
71
44.29
mp-1179691
1.716948
2.374983
0.246744
other
Rb1N1
2
71
57.28
mp-1219396
-5.668828
-3.779117
-1.483465
other
Sc2Te3
5
71
153.96
mp-1221195
-7.819208
-7.149974
3.553281
other
Nd12Cd72
84
71
2,022.82
mp-8700
-5.556689
-6.29609
1.286061
other
K2Au3
5
71
135.13
mp-1213865
-6.943611
-4.364917
5.976285
other
Ce3Al11
14
71
283.14
mp-30835
-7.924918
-4.285787
2.571239
other
Ta1Pd2
3
71
46.79
mp-12108
-7.729877
-2.14998
2.863073
other
V1Pt2
3
71
43.34
mp-1445202
-3.046615
-5.187545
6.792811
other
Mg1Si2
3
71
51.89
mp-1103785
-6.749742
-4.699246
6.124336
other
Pr3Al11
14
71
285.62
mp-558071
-3.673406
-1.375042
-5.274255
other
Rb2S2
4
71
149.21
mp-1192223
-5.82195
-3.279788
3.310532
other
Nb12Sn10
22
71
446.06
mp-1018129
-7.21198
-1.826748
2.955631
other
Pt2W1
3
71
45.65
mp-1217599
-2.147741
0.412555
2.348086
other
Tb1C2
3
71
44.52
mp-11180
-0.189856
0.564485
-0.078195
other
Na2C2
4
71
72.36
mp-634706
6.851918
10.666868
-1.822165
other
Ni1O2
3
71
45.52
mp-568232
-5.765488
-3.327148
3.374222
other
Ti12Sn10
22
71
430.33
mp-2382752
-0.613309
0.61725
0.381547
other
Ca2C4
6
71
99.27
mp-1018151
-8.099344
-4.465059
2.521743
other
Nb1Pd2
3
71
47.2
mp-1223019
-2.091909
0.377803
2.236071
other
La1C2
3
71
52.97
mp-16505
-6.751668
-4.683772
6.134655
other
La3Al11
14
71
293.13
mp-1072419
-6.569261
-4.431157
4.972006
other
Sm1Ge5
6
71
123.88
mp-32913
0.548623
1.397485
2.861084
other
Nb16N13
29
71
344.21
mp-1232213
-4.274606
-4.066927
-3.665872
other
Y2Se4
6
71
154.63
mp-1104934
-8.966323
-6.415127
4.95977
other
Pr3Zn11
14
71
271.86
mp-666
-5.441339
-3.650952
-0.05305
other
U2Te4
6
71
188.41
mp-1104395
-6.678153
-4.769928
6.10487
other
Sm3Al11
14
71
276.35
mp-1102706
-6.520388
-6.201723
4.19777
other
Eu3Ga8
11
71
256.66
mp-542428
-4.862461
-6.12758
0.88879
other
Ba22Sb20
42
71
1,704.06
mp-1216596
10.272685
11.823876
-3.787093
other
V2O5
7
71
124.71
mp-633403
-5.321547
-4.180529
0.411811
other
Cu6As8
14
71
281.67
mp-1219961
-7.788
-7.192603
3.443805
other
Sm12Cd72
84
71
2,007.3
mp-1227006
-7.767473
-7.185846
3.400665
other
Dy12Cd72
84
71
1,965.59
mp-11531
-7.794773
-1.057756
2.894759
other
V1Ni2
3
71
33.34
mp-1400588
8.692973
2.087643
0.309523
other
Ta1F5
6
71
77.34
mp-1072492
5.979603
2.684656
-2.904122
other
Ca2C4
6
71
64.33
mp-1219395
-4.111463
-4.095375
-3.754019
other
Sc2Se3
5
71
122.93
mp-1103818
-8.961146
-6.404396
4.90111
other
Nd3Zn11
14
71
265.59
mp-1010
-4.080098
1.568615
2.847406
other
Mn1B4
5
71
36.36
mp-1378
-0.501415
0.650522
0.645913
other
Li2C2
4
71
45.97
mp-862292
-8.942108
-6.000683
4.71249
other
Ce3Zn11
14
71
259.19
mp-1222457
-2.076484
0.433211
2.440723
other
Lu1C2
3
71
40.41
mp-1191564
-5.871267
-2.715335
4.013297
other
Ti12Ge10
22
71
364.71
mp-1080789
-5.625537
-3.613369
-1.969726
other
Sb4Te6
10
71
322.09
mp-11814
-5.222535
-6.408447
1.371995
other
Rb2Au3
5
71
145.75
mp-1206704
-8.06
-3.502295
2.510707
other
Mo1Pd2
3
71
44.57
mp-1193479
8.52554
7.809292
-3.868984
other
U6O22
28
71
614.7
mp-1219746
-9.338169
-5.92856
4.261168
other
Sc12Zn72
84
71
1,261.81
mp-1445885
9.318048
2.638365
-0.071192
other
Mo1F5
6
71
77.74
mp-1229298
-7.468922
-7.034151
2.859069
other
Ca12Cd72
84
71
2,032.73
mp-569270
-5.389443
0.491932
3.14115
other
V3B4
7
71
59.24
mp-1058499
-3.605588
-4.539026
0.861574
other
Rb1P1
2
71
87.35
mp-1185773
-6.66337
-9.475138
2.804412
other
Mg4Sb2
6
71
149.15
mp-1072085
-4.047681
-4.647899
5.989292
other
Ce1Si5
6
71
105.82
mp-570777
-3.973826
-5.580407
5.326619
other
Sr10Si10
20
71
562.83
mp-1227922
-7.755044
-7.19867
3.386147
other
Er12Cd72
84
71
1,871.65
mp-995182
-3.330268
1.315313
3.090091
other
Nd1B4
5
71
67.46
mp-1216910
11.205975
8.478546
2.162837
other
U3O7
10
71
117.77
mp-1104142
-8.960841
-6.145339
4.394375
other
Yb3Zn11
14
71
255.68
mp-685050
0.577841
1.385303
2.853479
other
Nb16N9
25
71
336.75
mp-952
-7.346187
-1.783523
2.73302
other
Mo1Pt2
3
71
45.44
mp-10255
-4.657728
0.39267
3.062161
other
Nb3B4
7
71
74.07
mp-1185772
-2.955211
-4.219663
0.597611
other
Mg4P2
6
71
117.89
mp-1061861
-8.26347
-4.265891
2.523239
other
Ti1Pd2
3
71
45.68
mp-1181411
6.328525
9.302053
-2.829778
other
Fe4O13
17
71
173.48
mp-579518
-7.1293
-5.713444
3.741642
other
Dy5Sn11
16
71
414.46
mp-1025100
-6.722808
-4.386663
5.143421
other
La1Ge5
6
71
126.86