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-1018152
-9.110776
-6.158889
2.843809
other
Lu1Au2
3
139
59.1
mp-1184252
-4.001675
-4.812752
5.766472
other
Ga1Si3
4
139
63.64
mp-1579
-2.1281
0.427194
2.415946
other
Er1C2
3
139
40.41
mp-568052
-5.551983
-6.710748
3.447755
other
K4Ga6
10
139
272.66
mp-1187795
-6.899855
-6.380813
6.578343
other
Y3P1
4
139
100.94
mp-1185471
-6.987896
-6.740076
6.936102
other
Li1Tb3
4
139
116.12
mp-979988
-7.070443
-6.972453
7.17873
other
Yb1Sm3
4
139
138.27
mp-1186070
-4.985436
-7.41198
3.506522
other
Na3Pr1
4
139
143.5
mp-639511
15.689512
5.620696
0.409387
other
Si16O32
48
139
972.07
mp-865562
-5.78415
-1.509817
4.540534
other
Be3Ru1
4
139
37.55
mp-1184646
-5.724826
-5.426235
2.648705
other
Ge3Au1
4
139
78.4
mp-1185059
-3.941891
-7.157211
2.008366
other
K3Ru1
4
139
154.65
mp-1094551
-7.149075
-11.107531
4.167605
other
Mg3Sb1
4
139
92.43
mp-1183332
-4.919988
-7.293965
3.743232
other
Ba1Ca3
4
139
189.88
mp-1094293
-4.905055
-7.4894
3.563696
other
Sr3Mg1
4
139
181.14
mp-979274
-7.997763
-6.403159
3.356982
other
U1Ag3
4
139
86.57
mp-1104393
-9.475763
-5.895066
3.950005
other
Lu1Zn12
13
139
193.87
mp-1185085
-6.866096
-6.356931
6.115719
other
La3Zn1
4
139
120.95
mp-1187669
-7.137302
-6.999005
7.196618
other
Yb1Dy3
4
139
130.19
mp-28753
-0.977243
1.155498
-1.661778
other
Nd1I2
3
139
109.96
mp-1018131
-8.591415
-7.061424
3.584943
other
Lu1Ag2
3
139
59.92
mp-1185075
-3.860324
-7.186996
2.423465
other
K3Ta1
4
139
185.28
mp-1186874
-3.866134
-7.087123
2.025149
other
Rb3Sm1
4
139
263.18
mp-973767
-6.379507
-5.462027
1.239983
other
Pm1Bi3
4
139
123.13
mp-976355
-7.369257
-6.418631
6.733675
other
Lu3Si1
4
139
95.51
mp-973508
-4.0407
-7.043977
1.621135
other
K1Rb3
4
139
362.28
mp-1186711
-7.10195
-6.902166
7.386802
other
Pr3Er1
4
139
139.4
mp-1080001
-7.011921
-3.839489
4.728588
other
Zr2Ga6
8
139
136.44
mp-9908
-4.588521
-6.255127
1.332141
other
Ba4Sb2
6
139
264.87
mp-30624
-7.456911
-6.173415
4.664824
other
Dy22Sn20
42
139
1,144.36
mp-634859
7.758177
5.6281
-3.307435
other
Ca1O2
3
139
36.13
mp-974774
-4.356659
-6.763831
1.905775
other
Rb3Tc1
4
139
213.58
mp-1184907
-4.18185
-7.088775
1.963344
other
K3Cd1
4
139
196.89
mp-1183047
-5.155734
-4.09334
3.522366
other
Zr1U3
4
139
86.51
mp-1147670
9.189084
0.983198
-0.256334
other
Cu1F2
3
139
83.14
mp-1186270
-6.939986
-6.813609
7.27373
other
Nd3Hf1
4
139
124.52
mp-1185836
-8.032367
-6.794967
2.176445
other
Mg1Ag3
4
139
69.83
mp-971833
-7.797929
-6.675283
6.930732
other
Tm3V1
4
139
104.72
mp-1186523
-6.891558
-7.203656
7.219667
other
Pm3Nd1
4
139
139.19
mp-1184438
-5.705486
-7.237551
4.291965
other
Eu3Mo1
4
139
124.77
mp-1183104
-6.165717
-7.879686
5.651421
other
Ac3Nb1
4
139
142.52
mp-1184608
-7.322438
-7.307245
1.834827
other
Hg3Pt1
4
139
81.89
mp-12765
-1.984753
0.448438
2.314929
other
Gd1C2
3
139
43.41
mp-1183412
-5.696616
-4.313504
5.676038
other
Be1Al3
4
139
58.12
mp-1187324
-6.748275
-6.487046
6.854547
other
Tb3Th1
4
139
128.99
mp-1103919
-7.501704
-10.254995
6.332795
other
Ce1Mg12
13
139
310.05
mp-978906
-7.104474
-6.915893
7.388697
other
Sm3Dy1
4
139
132.97
mp-1183195
-5.919028
-4.178263
5.82636
other
Al3Ge1
4
139
68.64
mp-1186699
-7.674635
-6.742807
6.95786
other
Pr3Au1
4
139
117.9
mp-1206408
-4.080067
-7.058696
2.165543
other
K4C1
5
139
230.99
mp-976417
-7.735163
-6.815726
6.832378
other
Nd3Hg1
4
139
121.01
mp-581747
-6.068979
-4.401001
3.347714
other
Pu4Ga4
8
139
156.07
mp-982597
-5.554862
-5.156766
5.003183
other
Pa3W1
4
139
90.97
mp-1201140
-7.528241
-6.120857
4.769213
other
Tb22Sn20
42
139
1,132.58
mp-1077718
6.93701
8.450982
-1.071488
other
Nd1O2
3
139
45.58
mp-1187288
-5.385635
-7.402181
3.875032
other
Sr1Eu3
4
139
188.92
mp-1187123
-4.804168
-7.203659
3.988919
other
Sr3Nb1
4
139
159.57
mp-1183202
-6.997461
-6.11789
1.450729
other
Ag3As1
4
139
73.77
mp-1183504
-6.499012
-5.509526
0.516678
other
Bi3Au1
4
139
113.47
mp-1186622
-3.588145
-4.267035
0.783906
other
Pm1P3
4
139
76.27
mp-974925
-6.921621
-6.836815
7.202232
other
Nd1Y3
4
139
134.93
mp-1183944
-6.978697
-6.699243
6.63203
other
Cs1Nd3
4
139
160.25
mp-1184292
-5.55773
-5.494133
3.678968
other
Ga3P1
4
139
73.65
mp-1183497
-7.014509
-6.873516
7.044646
other
Ca1Dy3
4
139
131.92
mp-1213526
-6.944252
-4.499519
5.605221
other
Dy22Ge20
42
139
992.62
mp-976017
-6.326222
-6.794841
3.406358
other
Li3Co1
4
139
56.32
mp-1183949
-6.604795
-6.615853
6.273432
other
Cs1La3
4
139
165.46
mp-15624
-4.985708
-6.214168
0.975477
other
Sr4Sb2
6
139
227.84
mp-1184141
-7.321726
-6.836502
7.219762
other
Dy3Lu1
4
139
123.88
mp-639734
15.674085
5.640517
0.393735
other
Si16O32
48
139
899.58
mp-1186059
-5.240867
-7.406956
3.169123
other
Na3Mo1
4
139
115.94
mp-1186513
-6.76007
-6.984784
6.956856
other
Pm3Hf1
4
139
122.32
mp-8093
-4.999437
-7.1056
3.292528
other
Ba2Cd1
3
139
142.17
mp-978277
-8.130056
-10.992274
5.989788
other
Mg3Cr1
4
139
82.59
mp-1183262
-6.108613
-6.117909
6.018775
other
Ac1Ce3
4
139
124.99
mp-1187946
-8.230639
-6.611705
2.184619
other
Zn1Ag3
4
139
66.03
mp-973181
-7.315415
-0.966926
4.067482
other
Mn3Zn1
4
139
47.05
mp-1184119
-8.428049
-4.169254
2.255603
other
Cu1Pd3
4
139
56.81
mp-1699
-6.35797
-1.079301
4.171765
other
Al1Cr2
3
139
37.05
mp-1039229
-5.274322
-7.357498
3.840993
other
Ca3Zn1
4
139
132.49
mp-22481
-6.393942
-6.703629
2.631339
other
K1In4
5
139
150.01
mp-1620
-5.701224
-1.557347
4.135809
other
Si2W1
3
139
40.32
mp-1189496
-4.058301
-6.92565
1.689391
other
Rb12Pd4
16
139
829.68
mp-1186151
-5.789054
-7.076277
3.325644
other
Na1Li3
4
139
99.71
mp-1186284
-6.58211
-6.629158
6.968392
other
Nd3Pa1
4
139
127.25
mp-865425
-8.454217
-4.229144
2.056139
other
Zn1Pd3
4
139
58.4
mp-865342
-9.401291
-4.382652
3.210565
other
Zn3Rh1
4
139
54.07
mp-1184626
-5.712478
-3.897676
4.096215
other
Hf3Be1
4
139
76.2
mp-976047
-6.860819
-7.367767
3.024431
other
Li3Hg1
4
139
67.91
mp-1184457
-5.635821
-7.15786
4.273211
other
Eu3W1
4
139
116.04
mp-1185298
-4.005398
-7.033921
2.351908
other
K3Ce1
4
139
239.08
mp-1184493
-7.445788
-6.523027
2.427046
other
In3Ag1
4
139
97.63
mp-971950
-8.481239
-6.002741
2.966308
other
Zn3Sn1
4
139
74.99
mp-978828
-7.336563
-6.847923
7.036662
other
Sm3Zn1
4
139
112.3
mp-1185606
-6.730012
-6.613914
6.719041
other
La3Ho1
4
139
142.76
mp-1183378
-5.625371
-5.872633
5.388277
other
Ba1Pa3
4
139
111.03
mp-2630
-0.996439
0.756653
0.932793
other
Sr1C2
3
139
57.2
mp-1184536
-6.343179
-5.472614
1.165829
other
Gd1Bi3
4
139
118.94
mp-1187668
-5.339602
-3.561473
3.728186
other
U3Ge1
4
139
77.68
mp-1077063
-6.358094
-5.472252
3.060747
other
La4Bi2
6
139
207.08