mp_ID
stringlengths
4
10
x
float64
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17.7
y
float64
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23.9
z
float64
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type
stringclasses
2 values
formula
stringlengths
2
26
n_atoms
int64
1
444
spacegroup
int64
1
230
volume
float64
5.61
20.1k
mp-1185095
-3.919747
-7.192979
2.425515
other
K3Y1
4
225
232.06
mp-1186131
-7.137236
-6.934593
7.121327
other
Na1Dy3
4
225
126.27
mp-23295
1.221723
2.55396
-5.728914
other
Rb1Cl1
2
225
72.44
mp-1184854
-3.968437
-6.766934
1.945004
other
K3Ge1
4
225
160.24
mp-24658
2.974915
-0.416576
-1.839206
other
Sm1H2
3
225
38.86
mp-672232
-8.192055
-1.632473
2.575785
other
Al1Ni3
4
225
43.99
mp-806
11.8268
8.970243
2.298912
other
Pu1O1
2
225
30.78
mp-237
-5.800847
-3.902309
-1.085709
original
Tm1Te1
2
225
55.53
mp-2548
-5.447855
-3.961519
1.351436
other
Pu1As1
2
225
50.82
mp-1186859
-3.958829
-7.137233
1.827886
other
Rb3Mn1
4
225
234.46
mp-1186876
-4.235922
-7.070807
1.948815
other
Rb3W1
4
225
220.83
mp-22912
-5.680459
-4.935756
0.932416
other
Np1Bi1
2
225
64.62
mp-510374
-5.415103
-4.198596
0.567028
other
Gd1As1
2
225
51.05
mp-1194558
-7.743266
0.560948
5.575671
other
Gd6Fe23
29
225
409.28
mp-865077
-7.497467
-7.03758
2.671098
other
Na1Cd3
4
225
88.68
mp-973143
-9.194201
-6.063349
4.570975
other
Sc1Zn3
4
225
62.89
mp-1184896
-4.056263
-6.928533
1.964467
other
K3Os1
4
225
142.18
mp-672661
-7.451948
0.014585
3.70031
other
Ga1Fe3
4
225
48.36
mp-1029
8.285004
1.15567
1.64182
other
Ba1F2
3
225
60.33
mp-1185235
-6.788498
-6.417756
3.577739
other
Li3Rh1
4
225
53
mp-12087
-4.903899
-1.809275
-5.749038
other
Cu2S1
3
225
42.81
mp-1059907
-4.519122
-6.807541
3.041631
other
K1B1
2
225
62.54
mp-644481
11.763752
8.834955
1.579492
other
Sc1O1
2
225
22.13
mp-979937
-6.377595
-7.095318
4.118395
other
Yb3Ru1
4
225
94.49
mp-1186792
-8.074618
-8.020547
2.932787
other
Pu1Hg3
4
225
97.73
mp-1185541
-4.532336
-7.199764
2.4514
other
Cs1Na3
4
225
211.8
mp-510401
-3.791318
-4.03256
0.90868
other
Gd1P1
2
225
47.28
mp-32641
-3.772743
-1.297068
-5.411119
other
Li1S1
2
225
31.69
mp-1186838
-3.77596
-7.13433
2.078585
other
Rb3Er1
4
225
266.05
mp-2795
-2.819621
-0.167015
2.732498
other
Zr1C1
2
225
26.17
mp-1187982
-5.868216
-7.347681
4.780147
other
Yb3Nd1
4
225
149.66
mp-1184574
-6.878967
-7.616246
1.880278
other
Hg3P1
4
225
92.25
mp-1192934
-9.59354
-4.764009
4.167372
other
Tb6Cu23
29
225
438.13
mp-2637
-3.324576
-4.058142
-3.094449
other
Y1Se1
2
225
47.7
mp-2306
-7.810887
-9.317129
6.55467
other
La2Mg6
8
225
208.89
mp-1021516
-4.498708
-6.774029
1.62371
other
K2Sn1
3
225
161.58
mp-865875
-6.685023
-7.015995
3.190284
other
Li3Ag1
4
225
65.66
mp-1186852
-3.945455
-7.042864
1.82779
other
Rb3Mg1
4
225
262.01
mp-1245811
-5.27387
-4.217319
0.45051
other
Cu1As2
3
225
55.22
mp-22873
-6.812837
-5.763381
3.062317
other
Sm1Bi1
2
225
66.61
mp-1246900
-5.799255
-4.283726
0.610868
other
Cu3As1
4
225
53.38
mp-1186418
-5.388667
-3.036444
4.041418
other
Pa1Ti3
4
225
74.22
mp-910
-3.635144
-0.312613
2.816947
other
Nb1C1
2
225
22.9
mp-1093
-6.74752
-4.991132
5.283072
other
Th1Ge1
2
225
56.53
mp-1066
1.857377
2.118522
1.257882
other
Yb1N1
2
225
29.91
mp-23285
-5.970482
-5.03554
1.659438
other
Ce1Bi1
2
225
71.93
mp-1975
1.984292
1.624178
2.004757
other
Tm1N1
2
225
27.4
mp-1180622
-3.608687
-4.590316
0.862948
other
K1P1
2
225
76.28
mp-2530518
-6.835193
-3.617658
0.175946
other
Te1Pd3
4
225
69.07
mp-2384
-3.926611
-3.957546
0.898584
other
La1P1
2
225
55.82
mp-24287
3.155577
-0.20073
-1.707694
other
Cr1H1
2
225
13.23
mp-2159
-5.747818
-3.986348
-1.316578
other
Dy1Te1
2
225
57.89
mp-1057437
-3.662937
-1.751106
-5.225317
other
Rb1S1
2
225
78.81
mp-1183979
-4.86126
-4.62014
0.268025
other
Ga1As3
4
225
75.62
mp-999550
-7.221178
-0.906875
3.876357
other
Mn3Ga1
4
225
47.77
mp-974950
-4.024731
-6.997707
1.713948
other
Rb3Li1
4
225
273.14
mp-1014311
6.584264
3.113173
-1.758515
other
C3N1
4
225
27.31
mp-12979
9.891746
9.855917
-0.125097
other
Sn1O2
3
225
34.11
mp-22905
1.457178
2.165283
-5.532228
other
Li1Cl1
2
225
32.86
mp-1094471
-5.582794
-3.962392
3.961972
other
Mg1Zr3
4
225
89.26
mp-1059621
-4.940569
-3.173703
-3.787978
other
K1Se1
2
225
76.73
mp-861605
3.058553
-0.589219
-2.099062
other
Ac1H3
4
225
49.07
mp-315
8.433086
1.422042
0.964883
other
Pb1F2
3
225
51.76
mp-974748
-3.848073
-7.09324
2.058753
other
Rb3Tm1
4
225
264
mp-1415
-4.601945
-3.589053
-3.848254
other
Ca1Se1
2
225
52.41
mp-24723
2.749465
-0.389284
-1.619195
other
Ta1H2
3
225
23.02
mp-1193632
-9.520066
-4.744383
4.016351
other
Yb6Cu23
29
225
438.48
mp-973824
-7.396595
-7.674702
1.775602
other
Li1Hg3
4
225
87.82
mp-940
2.158485
1.594419
1.899788
other
Gd1N1
2
225
30.82
mp-999123
2.827408
-0.343998
-1.756728
other
Tb1H3
4
225
34.64
mp-862878
-8.327463
-6.990174
3.05181
other
Pm1Ag3
4
225
85.3
mp-545619
9.097246
8.774908
-0.8992
other
Hg1O1
2
225
30.02
mp-1007854
-8.558152
-0.488818
2.912297
other
Fe1Ni3
4
225
43.45
mp-1183350
-4.779832
-7.392275
3.495848
other
Ba3Eu1
4
225
241.77
mp-976060
-4.762684
-5.33228
3.952791
other
Li3C1
4
225
36.8
mp-933
-5.590253
-4.034638
0.600355
other
Y1As1
2
225
49.43
mp-980049
-6.134982
-7.279455
4.519867
other
Yb3Re1
4
225
95.23
mp-1500
-3.179107
-2.14721
-5.310428
other
Ba1S1
2
225
67.13
mp-977189
-5.499969
-6.470397
0.797335
other
Na3Bi1
4
225
109.33
mp-971757
-7.46996
-7.484951
1.72501
other
Zn1Hg3
4
225
102.01
mp-2104
-5.089562
-3.59488
0.677501
other
U1As1
2
225
52.02
mp-1302
6.930507
8.368977
-1.35112
other
Pr1O2
3
225
46.91
mp-974309
-6.732301
-6.400553
2.674503
other
In3Ga1
4
225
98.51
mp-976334
-6.527253
-6.43912
3.79081
other
Li3Tc1
4
225
59.72
mp-975052
-4.040803
-6.925279
1.861704
other
Rb3Al1
4
225
217.77
mp-1186424
-8.360925
-4.39705
1.701893
other
Pd3F1
4
225
59.01
mp-980034
-6.002286
-7.347751
4.531464
other
Yb3Mg1
4
225
139.07
mp-1186051
-4.998761
-7.34975
3.528849
other
Na3La1
4
225
146.18
mp-1255847
-5.583046
-5.49264
5.156319
other
Na1Al3
4
225
77.68
mp-834
2.22596
1.692257
1.982108
other
Th1N1
2
225
34.54
mp-1184556
-5.660658
-5.517203
3.313954
other
Ge3H1
4
225
62.82
mp-22898
-1.081758
2.749525
-2.567788
other
K1I1
2
225
88.91
mp-976113
-9.006121
-6.310759
2.616799
other
La1Au3
4
225
89.63
mp-1185997
-5.015863
-7.509028
2.997798
other
Na3Tc1
4
225
108.2
mp-2229
10.261461
9.115786
0.206597
other
Zn1O1
2
225
20.42
mp-971750
-6.190197
-7.007299
2.052697
other
Tl3Ir1
4
225
95.84
mp-1185295
-5.710596
-6.5589
3.755828
other
Li3Zr1
4
225
74.91
mp-1183935
-4.588203
-7.330977
3.395122
other
Cs1Ca3
4
225
202.3
mp-2117
2.170826
1.653752
2.007357
other
Tb1N1
2
225
29.87
mp-1183986
-5.944223
-5.834028
3.239276
other
Ga3Sn1
4
225
83.32