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-1179062
11.163201
12.046778
2.855907
other
Ta2O5
7
5
131.11
mp-1039439
-5.914292
-9.694108
5.152578
other
Ca3Mg3
6
5
190.47
mp-1096890
0.721256
3.037725
1.544183
other
Cr4N8
12
5
205.8
mp-772530
9.991878
12.781356
-4.100992
other
V5O12
17
5
205.6
mp-11307
-7.13621
-7.889119
3.081676
other
Mg2Cd2
4
51
83.61
mp-973334
-5.149987
-7.570637
3.684564
other
Na2Mg2
4
51
112.89
mp-998949
-7.750068
-3.589009
3.168171
other
Ti2Pt2
4
51
61.77
mp-16960
-7.973898
-3.099187
2.857714
other
Al8Pt16
24
51
351.07
mp-1095683
-6.684587
-2.086091
3.927985
other
Nb6Ir6
12
51
192.66
mp-2275442
-4.554929
-2.592474
-4.189516
other
Ag4Se2
6
51
133.64
mp-11515
-6.662022
-2.110879
3.899007
other
Nb2Rh2
4
51
63.75
mp-1221736
-6.624217
-4.439303
0.724751
other
Mn4Bi4
8
51
182.04
mp-505064
-5.289542
-2.241484
2.570666
other
Nb36P18
54
51
872.1
mp-978258
-5.609224
-3.817931
3.91856
other
Mg2Ta2
4
51
77.22
mp-1246268
-1.154236
2.571259
-2.666003
other
Na2I2
4
51
153.9
mp-1094898
-6.237361
-4.305851
3.230279
other
Zr2Sn2
4
51
91.88
mp-1185947
-7.767827
-8.276276
6.228908
other
Mg2Sc2
4
51
93.51
mp-1104628
11.087179
10.987277
-0.965213
other
Fe6O8
14
51
237.01
mp-1183308
-4.830826
-7.222114
3.576723
other
Ba2Mg2
4
51
168.81
mp-1094863
-6.564857
-9.045362
4.765424
other
Mg2Ga2
4
51
74.42
mp-978263
-5.71791
-3.742521
3.879555
other
Mg2U2
4
51
83.27
mp-30744
-6.274612
-0.873432
3.670658
other
Ir2W2
4
51
59.8
mp-1095323
8.283618
9.271176
-3.467631
other
W2O10
12
51
185.04
mp-1080617
3.81006
-0.242653
-2.371124
other
Ge2H8
10
51
84.96
mp-1187633
-6.313668
-7.808172
4.898396
other
Yb2Mg2
4
51
123.52
mp-715923
10.509659
11.16407
-3.095356
other
W2O6
8
51
115.22
mp-11481
-6.437671
-0.827795
3.436847
other
Mo2Ir2
4
51
59.18
mp-600038
15.602592
5.647765
0.397289
other
Si10O20
30
51
613.01
mp-1404
-8.461785
-6.128546
2.196215
other
Cd2Au2
4
51
75.56
mp-1184410
-5.877875
-7.942685
4.602669
other
Eu2Mg2
4
51
140.58
mp-980094
-7.920615
-4.271668
2.975342
other
Ti2Pd2
4
51
61.84
mp-765637
10.62009
2.561399
1.188441
other
V6F20
26
51
356.62
mp-1094852
-5.967812
-9.830594
5.237702
other
Ca2Mg2
4
51
122.89
mp-1186807
-5.70823
-4.904483
3.037828
other
Pu2Mg2
4
51
101.34
mp-728466
-4.534934
-5.414812
0.343021
other
K2As2
4
51
145.45
mp-2288624
10.64493
11.141765
-3.052682
other
W2O6
8
51
111.82
mp-571387
1.406862
2.238017
-5.261104
other
Mg2Cl4
6
51
150.99
mp-1102348
-6.649908
-2.099482
3.890701
other
Nb6Rh6
12
51
190.03
mp-1183575
-5.923798
-9.733577
5.185458
other
Ca2Mg2
4
51
125.2
mp-978268
-8.173878
-9.301145
4.421276
other
Mg2Zn2
4
51
69.31
mp-999376
-6.993536
-3.033089
3.045888
other
Nb2Pt2
4
51
65.62
mp-30463
-7.456906
-4.35782
0.805523
other
Bi4Pd12
16
51
277.34
mp-1185890
-8.282387
-3.072667
3.791797
other
Mg2Ir2
4
51
60.8
mp-603347
-7.343272
-2.219044
3.292266
other
Ti2Ni2
4
51
53.53
mp-727194
9.04421
10.339411
0.059214
other
Ta12O32
44
51
608.27
mp-1194572
-4.469315
1.597936
2.987749
other
Co10B32
42
51
304.44
mp-1094770
-5.512739
-4.016708
3.922098
other
Mg2Zr2
4
51
88.74
mp-1185893
-8.282001
-10.214188
6.207394
other
Mg2Mn2
4
51
68.71
mp-510252
9.786709
13.095288
-0.811825
other
Fe12O16
28
51
316.1
mp-1094880
-4.948522
-7.47109
3.861147
other
Sr2Mg2
4
51
146.69
mp-600007
15.678901
5.632952
0.404656
other
Si12O24
36
51
696.44
mp-1183178
-5.305401
-4.874184
0.460857
other
Ag2As2
4
51
76.44
mp-1094963
-6.998383
-6.139232
5.490119
other
Ce2Mg2
4
51
102.53
mp-1017545
-7.440759
-3.323722
4.526245
other
Zr2Rh2
4
51
72.11
mp-1094941
-5.636478
-5.878184
0.429609
other
Mg2Sb2
4
51
98.98
mp-1188480
-6.32758
-1.059262
4.425304
other
Mn10Si6
16
51
373.68
mp-1094739
-7.43365
-7.941583
6.431114
other
La2Mg2
4
51
123.58
mp-1080576
-3.395909
0.639691
2.74973
other
Li4B4
8
51
305.1
mp-1094987
-5.747269
-7.474677
5.459986
other
Mg2Al2
4
51
75.08
mp-972916
-8.963645
-5.887097
4.137587
other
Mg2Cu2
4
51
60.49
mp-998985
-8.476085
-5.782505
2.893085
other
Ti2Au2
4
51
67.48
mp-1094675
-6.233568
-9.307023
4.493328
other
Li2Mg2
4
51
82.54
mp-1011730
-4.014714
-2.886962
-4.162357
other
Cs4Se2
6
51
298.41
mp-600061
15.62533
5.662188
0.381013
other
Si24O48
72
51
1,365.5
mp-999502
-6.472399
-1.100946
3.162271
other
Mo2Pt2
4
51
60.68
mp-1017531
-7.494658
-1.997144
2.993861
other
V2Pt2
4
51
56.23
mp-571499
-6.722838
-1.947669
4.104396
other
Ta6Ir6
12
51
190.93
mp-2223
-8.067795
-3.036679
2.736461
other
Ga8Pt16
24
51
358.86
mp-1185908
-8.058056
-9.064223
5.015203
other
Mg2Ni2
4
51
56.41
mp-639695
15.603508
5.666319
0.382242
other
Si16O32
48
51
927.43
mp-1094780
-5.438241
-4.382875
4.264168
other
Hf2Mg2
4
51
86.54
mp-1185370
-6.235421
-9.25839
4.458308
other
Li2Mg2
4
51
80.96
mp-1104837
11.005368
11.884716
2.897711
other
Ta4O10
14
51
179.19
mp-1185891
-6.752964
-7.69028
3.334703
other
Mg2In2
4
51
91.65
mp-12595
-6.332435
-0.820742
3.418408
other
Mo2Rh2
4
51
58.13
mp-1185937
-6.115441
-7.281974
2.58288
other
Mg2Pb2
4
51
102.81
mp-639463
15.698507
5.632148
0.402198
other
Si6O12
18
51
316.6
mp-1018055
-7.651666
-3.306662
4.353558
other
Hf2Ir2
4
51
69.31
mp-1205301
-6.996999
-6.443942
6.864353
other
Y12H4
16
51
410.03
mp-1038828
-6.278573
-7.214348
3.779969
other
Ca2Zn2
4
51
100.57
mp-1185911
-7.62308
-1.438517
4.928577
other
Mg2Os2
4
51
63.99
mp-1039188
-6.097215
-6.003313
0.471985
other
Mg2Bi2
4
51
109.2
mp-581991
-5.154879
-2.699891
2.576869
other
Nb36P18
54
51
983.66
mp-1094701
-7.889413
-8.894564
7.000877
other
Y2Mg2
4
51
109.4
mp-1200152
-5.606704
-2.493083
2.666133
other
Nb36As18
54
51
943.2
mp-556132
14.554766
6.069973
-0.198203
other
Si8O16
24
54
273.78
mp-568121
-5.769104
-1.466528
4.680631
other
Mn16Si28
44
54
505.38
mp-554397
13.594015
6.289969
-0.806262
other
Si8O16
24
54
328.57
mp-1080366
-4.264051
-4.955781
-3.411441
other
Ce8Se16
24
54
1,252.93
mp-615366
-5.181908
-0.90407
-4.280711
other
Fe4S8
12
54
213.75
mp-1080344
-4.278817
-4.972579
-3.416452
other
Ce8Se16
24
56
1,537.1
mp-23226
-1.348386
1.728055
-2.372249
other
Nb24I44
68
56
2,608.51
mp-556549
9.507159
8.556705
-0.581756
other
Bi8O12
20
56
355.68
mp-29654
6.444362
0.359609
-3.442012
other
B72H88
160
56
1,455.26
mp-2136
10.622549
9.362955
-0.514473
other
Sb8O12
20
56
331.98
mp-1210362
8.009175
7.46811
-4.489947
other
P8O32
40
56
856.73
mp-1106211
11.314257
8.007852
-3.095998
other
As8O12
20
56
519.55
mp-557465
15.213324
5.840682
0.21244
other
Si8O16
24
56
325.26
mp-600050
15.535903
5.638606
0.291052
other
Si24O48
72
53
1,458.94
mp-23922
8.177818
2.03985
-4.183014
other
H16N16
32
53
285.64