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-1220627
-7.346515
0.494916
4.486031
other
Nd1Fe10Re2
13
71
175.84
mp-1225713
-7.933359
0.015201
4.060771
other
Gd1Co10Mo2
13
71
169.4
mp-1093733
-2.660586
-8.358321
1.75332
other
Y2Pd1Au1
4
71
1,099.28
mp-1222095
-6.666308
-10.965258
4.660823
other
Mg6Si1Sn2
9
71
222.26
mp-1097620
-2.036556
-8.186364
1.985387
other
Ta1Mn2Si1
4
71
693.2
mp-1093881
-2.34713
-8.38322
1.567219
other
Ca1In1Rh2
4
71
1,003.99
mp-1097441
-3.075118
-8.694228
1.131882
other
Mg1In1Hg2
4
71
1,292
mp-1225143
-8.404036
-1.601435
2.688148
other
Gd1Si2Ni10
13
71
154.46
mp-1096715
-2.521206
-8.42272
1.376199
other
Mg2Hg1Rh1
4
71
1,096.58
mp-1097257
-3.083708
-8.469028
1.20876
other
Zn1Cd1Ag2
4
71
1,007.51
mp-1097465
-2.849986
-8.703356
1.42823
other
Li1Hf1Hg2
4
71
1,104.24
mp-1096408
-2.869038
-8.183068
1.577587
other
Li2Mg1Ga1
4
71
1,024.73
mp-10244
-5.468416
-3.617301
4.9053
other
Zr3Cu4Si4
11
71
163.26
mp-1097682
-1.451259
-8.437843
2.355538
other
Ti1Mo1W2
4
71
760.07
mp-1095774
-1.90525
-8.298536
1.970895
other
Hf2Ni1Ir1
4
71
1,098.26
mp-1096136
-1.935338
-8.445494
1.961995
other
Zr2Ru1Rh1
4
71
773.25
mp-1096492
-2.0235
-8.565957
1.90682
other
Be2Cr1Pt1
4
71
563.12
mp-1096675
-1.912075
-8.382323
1.827263
other
Sc1Bi1Ru2
4
71
858.03
mp-1219301
-7.99102
-0.042407
4.085227
other
Sm1Co10Mo2
13
71
168.86
mp-1097523
-2.616723
-8.321507
1.485883
other
Mg2In1Pd1
4
71
1,106.94
mp-1096133
-1.721966
-8.585941
1.897736
other
Mg1V1Ru2
4
71
995.54
mp-1096175
-2.324614
-8.533948
1.425048
other
Cd1Pd2Pt1
4
71
879.81
mp-1217861
-7.378783
0.480242
4.417489
other
Tb1Fe10Re2
13
71
171.55
mp-1221198
1.237699
2.060414
-5.579069
other
Na4Ag1Cl5
10
71
216.68
mp-1264530
-2.087734
-8.383401
2.000473
other
Si2Tc1Rh1
4
71
318.17
mp-1097399
-3.157225
-8.712379
1.181438
other
Li1In1Hg2
4
71
1,111.49
mp-1096587
-2.630821
-8.308995
1.704069
other
Sc2Tl1Pd1
4
71
1,152.22
mp-1093707
-1.635136
-8.380168
2.039798
other
Ti1V1Os2
4
71
717.08
mp-1093842
-1.889725
-8.415646
2.209618
other
Zr2Mo1Ir1
4
71
830.86
mp-1215686
8.213734
12.150016
-0.8103
other
Zn1Ni4O5
10
71
95.85
mp-1093946
-2.130714
-8.480479
1.790943
other
Be1Ge1Ir2
4
71
647.1
mp-1096116
-2.753187
-8.368526
1.511534
other
Li1Ga2Ag1
4
71
843.78
mp-1095761
-2.855637
-8.261766
1.439654
other
Li1Mg1Zn2
4
71
988.1
mp-1173349
9.980587
8.779933
3.253662
other
Sm4Zr1O8
13
71
204.05
mp-1093739
-2.955521
-8.776602
1.33499
other
Zr1Ag1Hg2
4
71
1,169.63
mp-1096460
-1.90946
-8.388151
2.028204
other
Sc2Tc1Ru1
4
71
808.33
mp-1097275
-3.126684
-8.438137
1.383311
other
Na1Cd1Pb2
4
71
1,390.88
mp-1097192
-1.611153
-8.45344
2.319299
other
V1Re2W1
4
71
748.19
mp-1095918
-2.61233
-8.384177
1.639273
other
Y1Ga1Cu2
4
71
875.81
mp-1093890
-3.031572
-8.348674
1.493874
other
Li2Tl1Cd1
4
71
1,133.14
mp-1096049
-2.644519
-8.567698
1.42107
other
Cu1Pd1Au2
4
71
798.94
mp-1096110
-3.402869
-7.627465
1.747592
other
Ba2Zn1Pd1
4
71
1,417.85
mp-1093813
-1.710366
-8.503485
2.093647
other
Cr1Ga1Tc2
4
71
697.43
mp-1093968
-2.574343
-8.35243
1.744789
other
Y2Zn1Pt1
4
71
1,118.23
mp-1225091
-7.523505
0.808485
4.703255
other
Er1V2Fe10
13
71
167.69
mp-1096123
-2.627743
-8.485034
1.73288
other
Hf1Sc1Au2
4
71
1,110.11
mp-1096450
-1.362455
-8.299371
2.453774
other
Ta1Mo2W1
4
71
807.34
mp-510075
-4.235425
-6.344186
1.426998
other
Cs7Au5O2
14
71
504.59
mp-1095778
-3.124003
-8.428019
1.553525
other
Sr1Pb1Au2
4
71
1,301.6
mp-1097222
-3.240462
-8.146641
1.70804
other
Sr1Sc1Tl2
4
71
1,703.49
mp-1093666
-1.976416
-8.432222
1.860008
other
Hf1Mn1Ir2
4
71
821.46
mp-1212234
-8.14752
-6.351414
6.603259
other
Ho12Co4Sn2
18
71
440.93
mp-1093984
-3.157344
-8.216338
1.658372
other
Sr1Li2In1
4
71
1,449.54
mp-1097576
-2.966542
-8.384133
1.467473
other
Ca1Tl1Au2
4
71
1,200.84
mp-1096062
-2.909811
-8.347189
1.611114
other
La1Zn2Cd1
4
71
1,550.05
mp-1095835
-1.637396
-8.504732
2.319886
other
Cr2Re1W1
4
71
590.41
mp-7524
-4.372564
-2.54219
0.755262
other
Nb2P2Se2
6
71
106.54
mp-1093749
-2.345622
-8.560573
1.546366
other
Be1Cu1Pd2
4
71
631.12
mp-1096438
-2.502612
-8.362469
1.476123
other
Mg2Cu1Pd1
4
71
851.89
mp-1078784
-2.486948
0.401203
2.388011
other
Sc3Rh1C4
8
71
93.19
mp-1096623
-3.377431
-7.966269
1.700236
other
Ba1Ca1In2
4
71
1,740.75
mp-27712
2.318243
2.695271
-4.324294
other
V1Cl2O1
4
71
83.85
mp-1226790
7.765089
8.352962
0.471079
other
Ce2Pr1O6
9
71
128.14
mp-1206871
-8.121268
-5.297792
5.927694
other
Sm2Ga1Ni2
5
71
95.11
mp-1225541
-2.578114
-2.706746
-5.650606
other
Er2Te1S2
5
71
145.76
mp-752558
8.387878
11.080306
-0.210207
other
Na2Ni1O2
5
71
63
mp-1096467
-2.01019
-8.443578
1.749042
other
Li1Rh2W1
4
71
861.12
mp-1096434
-2.933051
-8.235575
1.391153
other
Mg2Tl1In1
4
71
1,360.18
mp-1097238
-2.982806
-8.409063
1.636519
other
Li1Y1Pb2
4
71
1,420.35
mp-1096439
-2.338165
-8.504224
1.568038
other
Li1Zn2Ru1
4
71
818.81
mp-1219900
-4.011399
-4.084206
0.820021
other
Pr2U1P3
6
71
151.43
mp-1095893
-1.69595
-8.338454
2.134397
other
Ti1Tc2Sn1
4
71
826.04
mp-1005755
-7.773252
-4.119321
3.720262
other
Sm4Ge8Pt4
16
71
316.64
mp-1096752
-2.712801
-8.27878
1.806618
other
Li1Y2Pd1
4
71
1,160.27
mp-1097496
-2.997114
-8.238989
1.712604
other
Ca1Y1In2
4
71
1,490.22
mp-19218
10.523316
10.356566
0.994441
other
Sr3Fe2O5
10
71
143.52
mp-1097538
-2.363899
-8.466912
1.861717
other
Zr2Pd1Au1
4
71
981.76
mp-1096686
-3.275654
-8.361142
1.139443
other
Tl1Bi1Pb2
4
71
1,489.81
mp-1208520
-8.037066
-6.502483
6.637801
other
Tb12In2Co4
18
71
453.76
mp-1177986
-4.701115
-1.028588
-5.274917
other
Li2Fe1S2
5
71
87.15
mp-1254289
9.362419
2.386873
1.803541
other
Ti1Al1F5
7
71
88.72
mp-1096448
-3.103481
-8.214392
1.65428
other
Ca1Sc1Tl2
4
71
1,540.01
mp-1264151
-1.996274
-8.333695
1.851767
other
Li1Al2Ru1
4
71
582.86
mp-1093845
-1.923354
-8.473041
1.668802
other
Ti1Be1Pt2
4
71
730.43
mp-1097367
-2.966403
-8.393955
1.548687
other
Ca2Sn1Au1
4
71
1,307.22
mp-7928
-3.72692
-1.545109
-5.063372
other
K2Pt1S2
5
71
120.88
mp-1093709
-2.633115
-8.469431
1.644259
other
Sc1Cu2Ag1
4
71
841.55
mp-1219736
10.686644
8.01542
2.669562
other
Pr2S2O2
6
71
115.55
mp-1105802
-7.54494
-4.466486
3.573533
original
Ca4Ge8Pt4
16
71
315.83
mp-1093940
-3.315555
-8.109097
1.643045
other
Ba1Ca1Cd2
4
71
1,928.23
mp-1095727
-1.892143
-8.246565
2.003387
other
Mn1Tc2As1
4
71
718.92
mp-1068331
-7.982751
-5.131288
5.300192
other
Y2Ni2Sn1
5
71
99.11
mp-1096685
-1.671567
-8.253244
2.273471
other
Nb2Co1Tc1
4
71
651.58
mp-1212396
-7.983377
-1.245721
4.402514
other
Ho1Ga6Co6
13
71
177.1
mp-10528
-4.989201
-4.235354
6.377769
other
Ho2Al1Si2
5
71
99.39
mp-1096495
-2.317838
-8.264424
1.589442
other
Li1Ni2As1
4
71
763.64
mp-1097182
-3.447169
-7.806737
1.765483
other
Sr2P1Au1
4
71
1,311.49
mp-1093882
-3.022793
-8.585309
1.384774
other
Ca1Hg1Au2
4
71
1,227.71
mp-1093919
-1.585206
-8.037048
2.394561
other
Ta2Ti1Mo1
4
71
798.24
mp-1096305
-2.454755
-8.532246
1.812538
other
Hf1Zr1Au2
4
71
994.07