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-12091
-5.006544
-1.185136
-4.863729
other
Tl1Fe2S2
5
139
95.51
mp-5819
-7.656069
-3.319263
4.453485
other
Pr1Ni2Ge2
5
139
84.35
mp-4703
-7.15188
-0.726398
5.902752
other
Th1Al8Fe4
13
139
194.06
mp-4088
-5.322706
-2.032485
5.806962
other
La1Fe2Si2
5
139
81.09
mp-5591
-7.567027
-3.22582
4.359639
other
U1Ni2Ge2
5
139
80.31
mp-569159
-5.397525
-5.398998
1.06469
other
Yb16Ge6Sb10
32
139
892.12
mp-13650
10.713163
8.381827
0.90542
other
Ca2Ge1O4
7
139
84.68
mp-1217604
-2.905193
-2.665687
-5.345249
other
Tb1Eu4S5
10
139
241.83
mp-570308
-6.236511
-3.524637
0.898463
other
Eu1Ni2Sb2
5
139
102.93
mp-4316
-6.144637
-2.413507
0.703261
other
Sr1Ni2As2
5
139
91.18
mp-1226860
8.146292
8.381006
1.172031
other
Ce3Pr1O8
12
139
168.42
mp-5083
-8.024921
-4.351324
4.263952
other
Er1Cu2Ge2
5
139
81.74
mp-977388
-7.405797
-6.111409
4.660432
other
Ho2Mg2Sn2
6
139
150.6
mp-12625
11.860713
8.463048
2.599052
other
U2Te1O2
5
139
101.11
mp-19102
5.540679
10.770579
-0.260148
other
Sr2Fe1O4
7
139
91.27
mp-21889
-7.8449
-3.974168
3.354186
other
Th1Ge2Pt2
5
139
97.54
mp-8603
8.498551
8.730161
-0.421484
other
Rb4Ag4O4
12
139
292.73
mp-21057
-7.876703
-4.109677
3.372354
other
La1Ge2Pt2
5
139
100.54
mp-1222307
-5.513108
-3.821432
4.612493
other
Lu1Si2Pt2
5
139
88.04
mp-1205621
8.583714
1.53757
1.774732
other
Rb3U1F6
10
139
263.34
mp-4606
-7.227911
-0.812054
5.886316
other
U1Al8Fe4
13
139
189.76
mp-556041
8.839708
0.879943
1.164259
other
Ba2Ni1F6
9
139
140.89
mp-5399
-5.424025
-1.949787
5.663424
other
Tb1Fe2Si2
5
139
73.76
mp-20047
-5.565338
-4.204694
4.564591
other
Pu1Si2Pd2
5
139
86.06
mp-37331
7.102442
8.767721
-1.929223
other
Sr2Co2O5
9
139
149.67
mp-567317
-6.996832
-5.038273
5.98648
other
Nd1Al2Ga2
5
139
97.92
mp-9179
-3.22036
-1.709935
-5.454575
other
Ba6Zr4S14
24
139
649.67
mp-1147754
3.338085
-0.668406
-2.464515
other
K3Cu2H7
12
139
143.83
mp-1212877
11.057937
11.412529
0.801644
other
Eu3V2O7
12
139
154.05
mp-1025227
1.337354
2.541484
-5.880955
other
Rb2Mg1Cl4
7
139
201.8
mp-20802
-6.427068
-1.083853
2.815365
other
Eu1P2Os2
5
139
89.16
mp-3018
-5.44356
-2.194552
5.808295
other
Nd1Mn2Si2
5
139
83.73
mp-1207107
9.092697
9.907159
2.450529
other
Pr2Co1O4
7
139
95.13
mp-22679
-7.256573
-5.372699
3.217236
other
Ba1Mn2Sn2
5
139
133.78
mp-1193899
-5.914251
-1.41746
4.670033
other
Ta8Fe8Si14
30
139
394.95
mp-1194083
-6.881707
-0.622917
4.650438
other
Hf8Fe8Ge14
30
139
458.92
mp-5666
-7.173724
-1.719748
5.742895
other
Ho1Mn2Ge2
5
139
90.11
mp-34232
-6.356892
-2.555599
1.107932
other
K1As2Rh2
5
139
107.52
mp-540999
8.187841
9.075984
-0.191999
other
Cs2Cu1O2
5
139
122.74
mp-1103472
8.855196
1.540145
1.024462
other
Na2U1F8
11
139
155.27
mp-8672
8.769208
9.825584
1.963876
other
La2Pd1O4
7
139
106.02
mp-568725
-6.606257
1.415017
4.120672
other
Dy1Fe2B2
5
139
60.32
mp-555101
9.244444
0.49542
0.764464
other
K3Co2F7
12
139
172.22
mp-582357
-5.343194
-1.945383
5.579898
other
Eu1Fe2Si2
5
139
79.08
mp-1211909
-0.831243
1.263109
-4.258543
other
K4Mo2Br8
14
139
496.85
mp-1104474
-6.654719
-1.744421
5.869273
other
Ce1Al8Cr4
13
139
203.99
mp-570456
-6.257264
-1.895587
1.236638
other
Eu1Co2As2
5
139
84.33
mp-10626
-6.023325
-3.07212
5.669512
other
Yb1Si2Rh2
5
139
83.51
mp-1223224
-5.312952
-3.886664
4.72168
other
La1Si2Pt2
5
139
94.93
mp-31204
-4.815544
-4.470618
5.479412
other
Nd1Si2Ag2
5
139
95.53
mp-4611
-5.360537
-3.853128
4.828064
other
Th1Si2Pt2
5
139
90.71
mp-5948
-5.216725
-3.951267
5.389461
other
Th1Cu2Si2
5
139
82.58
mp-569697
-5.684253
-1.727049
0.827194
other
Ce1Ni2P2
5
139
72.19
mp-4050
-6.2041
-2.188016
1.460634
original
Eu1As2Ru2
5
139
94.72
mp-542988
-7.898493
-2.290468
5.286447
other
Gd1Co2Ge2
5
139
78.74
mp-12061
-5.854683
1.452348
4.02446
other
Lu1Fe2B2
5
139
55
mp-1104146
-6.65561
-1.863904
5.886357
other
Er1Al8Cr4
13
139
199.94
mp-1219742
-6.231951
-5.222391
2.724874
other
Pr2Nd2Sb2
6
139
189.11
mp-1077558
-5.05021
-4.447798
6.012423
other
Nd2Sc2Si2
6
139
145.99
mp-570031
-6.020747
-2.026296
1.49859
other
Sr1Cr2As2
5
139
103.27
mp-867221
1.682149
1.746803
2.114461
other
Ce3Ta2N6
11
139
160.67
mp-29207
-5.98193
-5.819468
0.748671
other
Sr2Mn2Bi4
8
139
242.85
mp-19771
-7.934805
-2.290729
5.286962
other
Dy1Co2Ge2
5
139
77.16
mp-31438
-5.450615
-3.868062
2.601791
other
Y2Zr2Sb2
6
139
152.33
mp-22383
-5.702498
-2.937449
5.454562
other
Pu1Co2Si2
5
139
72.86
mp-1068908
-8.377311
-5.874519
3.22078
other
Ce1Ge2Au2
5
139
102.83
mp-3065
-7.357541
-0.896497
5.37837
other
Ho1Fe2Ge2
5
139
82.42
mp-1221141
0.100269
1.310464
-4.470732
other
Na5Br4Cl1
10
139
252.98
mp-865864
-8.062107
-3.959372
5.32505
other
Tm1Al8Cu4
13
139
192.35
mp-3147
-5.29434
-4.429549
5.032872
other
Er1Si2Au2
5
139
90.51
mp-569200
-7.134912
-0.678333
5.903798
other
Eu1Al8Fe4
13
139
194.73
mp-3210
-5.732374
-0.743975
1.394745
other
Ca1Co2P2
5
139
70.39
mp-29806
-1.217863
3.117584
-3.102702
other
Cs2Pd1I6
9
139
383.07
mp-1173069
9.156681
8.713195
1.617284
other
Ba2In2O5
9
139
159.99
mp-16032
11.252599
8.064686
2.919771
other
Pr2Te1O2
5
139
109.21
mp-569408
-6.434833
-2.133716
1.120415
other
K1Co2As2
5
139
95.39
mp-9247
-5.25163
-4.516328
0.763339
other
Ba1Cu2As2
5
139
104.53
mp-27690
10.008475
9.463737
3.92057
other
Sr3Zr2O7
12
139
185.74
mp-1206125
-4.959172
-3.364301
0.757644
other
Sm1P2Pd2
5
139
84.13
mp-1222538
13.181519
11.7307
-0.034776
other
Li2V6O8
16
139
147.5
mp-1147713
-2.804409
-2.449522
-5.603846
other
La2Cu1S4
7
139
153.25
mp-1025531
-5.365893
-4.248922
0.50907
other
La2As4Au2
8
139
179.71
mp-22412
-7.199138
-1.96362
5.490259
other
Ba1Mn2Ge2
5
139
112.05
mp-7911
8.336048
9.453538
0.048259
other
K4Cu4O4
12
139
234.56
mp-1120758
8.617306
9.612426
2.002422
other
La2Ag1O4
7
139
110.61
mp-1206961
-4.348233
-4.945466
5.767048
other
Yb1Zn2Si2
5
139
89.81
mp-31491
-8.181392
-4.724798
3.192126
other
Sm1Ge2Pd2
5
139
93.05
mp-27393
-7.051572
-3.772108
0.556369
other
Al1Pd5I2
8
139
168.54
mp-1206348
-6.338741
-2.714727
1.155964
other
Cs1As2Ir2
5
139
121.05
mp-21225
-5.783433
-2.422734
5.098716
other
Pu1Si2Os2
5
139
84.77
mp-1205915
8.047734
0.703707
1.411016
other
Rb3Tb1F6
10
139
252.82
mp-3585
-5.685404
-2.931612
5.813624
other
La1Si2Ir2
5
139
88.24
mp-10668
-4.725543
-4.607041
5.088467
other
Yb1Si2Ag2
5
139
96.29
mp-20137
-7.90121
-3.938761
3.218224
other
Dy1Ge2Pt2
5
139
94.83
mp-20602
-7.043161
-0.993497
5.126005
other
U1Fe2Ge2
5
139
77.38
mp-3854
-5.474185
-2.176677
5.731966
other
Y1Mn2Si2
5
139
79.05
mp-567840
-8.119212
-4.403019
4.377239
other
Tm1Cu2Ge2
5
139
85.75
mp-1018066
-8.124522
-2.621712
3.346474
other
Cr1Sn1Rh2
4
139
61.65
mp-20542
-7.239325
-1.820647
5.739645
other
Pr1Mn2Ge2
5
139
97.96
mp-4297
-7.846866
-4.084507
3.427608
other
U1Ge2Pd2
5
139
92.26