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-31454
-6.233776
-3.204007
1.557631
other
Ta1Sb1Ru1
3
216
58.39
mp-1211864
-7.288796
-6.355015
6.224728
other
La16Cd4Ni4
24
216
708.96
mp-1100428
-4.511106
-5.085632
5.756817
other
Li1Y1Si1
3
216
73.78
mp-1225536
-7.460939
-1.134318
5.516964
other
Dy1Tm1Mn4
6
216
92.81
mp-1217492
-8.706006
-0.674266
5.04257
other
Tb1Nd1Co4
6
216
94.81
mp-1226672
-7.533756
0.044778
5.360791
other
Ce1U1Fe4
6
216
85.44
mp-1219010
-6.79036
-3.778238
5.744922
other
Sm1U1Al4
6
216
121.79
mp-631549
-5.020036
-6.030445
4.463442
other
Hf1Ge1B2
4
216
55.32
mp-631293
-3.382694
-3.96859
0.518364
other
Hg1P2Se1
4
216
76.27
mp-1077498
-9.531081
-4.851988
3.975322
other
Er1Cu4Ag1
6
216
87.16
mp-631349
-5.970654
-1.111456
3.881425
other
Zn1Tc1Mo1
3
216
53.63
mp-1206719
-6.401963
-4.855677
1.047519
other
Nd1Ni1Bi1
3
216
71.76
mp-961663
-5.658207
-3.740959
-1.993608
other
Sr1Te1Pd1
3
216
83.07
mp-1227226
-6.747461
-4.747827
5.930283
other
Ca1Er1Al4
6
216
123.49
mp-30404
-6.045572
-5.454845
0.737888
other
Li2Sb1Au1
4
216
70.13
mp-961697
-8.540782
-5.885179
3.187521
other
Sc1Ge1Au1
3
216
62.32
mp-1223473
5.31719
-0.368763
-2.976189
other
K1B1H4
6
216
72.25
mp-1224794
-7.364201
0.79964
3.697086
other
Fe22B6W1
29
216
298.71
mp-631577
-5.487207
-4.530505
0.374599
other
Bi1As2Os1
4
216
78.11
mp-1222610
-6.154465
-7.330229
3.375189
other
Li2Mg1Zn1
4
216
67.63
mp-961661
-5.917304
-4.22435
4.838398
other
Zr1Si1Pd1
3
216
57.15
mp-999046
-6.061959
-2.877681
3.954608
other
Ti2In1Co1
4
216
64.19
mp-1226526
-7.729989
-0.082819
5.834362
other
Ce1Pr1Fe4
6
216
101.18
mp-1077334
-8.993195
-1.261395
3.00114
other
Er1Mn1Ni4
6
216
81.85
mp-30816
-7.588021
-5.916032
3.564178
other
Li2Al1Pd1
4
216
55.39
mp-961672
-5.306288
-7.162156
3.881987
other
Sr1Al1Ga1
3
216
95.85
mp-1222290
-6.52717
-7.066573
3.27566
other
Li1Mg1In2
4
216
88.78
mp-631637
-8.459937
-11.143012
5.523457
other
Mg2Pb1W1
4
216
81.88
mp-961681
-7.343167
-3.772092
3.071069
other
Zr1Ge1Pt1
3
216
63.79
mp-1100430
-5.629991
-5.862449
0.625818
other
Li1Zn1Sb1
3
216
63.85
mp-1100416
-6.167518
-3.571897
2.069206
other
Ta1Bi1Ru1
3
216
66.66
mp-3522
-5.848564
-4.961792
0.622077
other
Mg1Cu1Sb1
3
216
59.1
mp-1210030
-7.850751
-6.683708
6.882623
other
Nd16Mg4Rh4
24
216
705.4
mp-1100415
-6.384562
-3.453954
1.279022
other
Zr1Sb1Rh1
3
216
62.5
mp-631296
-5.125813
-7.15882
4.501814
other
K1Hf1Ni1
3
216
68.42
mp-1222653
-6.519
-7.170065
3.175964
other
Li2Mg1Ag1
4
216
71.86
mp-12008
-9.540638
-4.825336
4.049466
other
Er1Cd1Cu4
6
216
89.93
mp-631478
-5.579599
-5.051294
1.323577
other
Ir1Pb1Br1
3
216
80.4
mp-631379
-9.279008
-4.923646
3.615703
other
Zn1Cu1Mo1
3
216
51.41
mp-1071478
-8.073771
-3.372526
2.690195
original
Ce1In1Pt4
6
216
110.92
mp-631495
-5.116693
-7.166558
4.420832
other
Ba1Y1Sc1
3
216
128.81
mp-30459
-6.370923
-4.607566
0.899257
other
Sc1Ni1Bi1
3
216
60.24
mp-1077095
-9.095497
-1.511422
2.86388
original
Lu1Cd1Ni4
6
216
84.33
mp-568931
-6.153611
-4.332869
0.912082
other
Yb1Ni1Sb1
3
216
64.83
mp-10182
-3.307105
-4.121766
0.757471
other
Li1Zn1P1
3
216
46.3
mp-961708
-7.482076
-4.101736
3.416494
other
Nb1In1Pt1
3
216
64.75
mp-1225531
-6.760024
-3.719537
5.683379
other
Dy1U1Al4
6
216
120.42
mp-1215207
-7.565779
0.035504
5.503556
other
Zr1Sc1Fe4
6
216
88.16
mp-1212975
-8.316291
-6.676286
6.997713
other
Dy16Mg4Ru4
24
216
637.21
mp-962075
-5.506682
-7.19091
3.22983
other
Sr1Mg1Sn1
3
216
110.28
mp-1077796
-8.215903
-3.422662
2.543931
other
La1In1Pt4
6
216
114.24
mp-1221621
-8.400518
-2.554578
3.817433
other
Mn1Al1Ir1
3
216
51.71
mp-631337
-4.975333
-6.838023
3.595278
other
Na1Ta1Ni1
3
216
54.96
mp-631518
-4.795738
-5.247588
4.290257
other
Zr1B1Te1
3
216
67.96
mp-1209720
-8.030044
-6.701882
6.852878
other
Pr16Mg4Ir4
24
216
726.44
mp-1207810
-8.068717
-6.605172
6.550048
other
Y16Mg4Pt4
24
216
665.51
mp-1207620
-6.169304
-7.120409
4.238
other
Yb16Mg4Cu4
24
216
735.85
mp-571185
-6.068699
-3.558492
1.81962
other
Hf1Co1Sb1
3
216
62.49
mp-961647
-3.831189
-5.018879
0.801774
other
Ca1Ag1P1
3
216
74.62
mp-623646
-6.655307
-3.576029
3.137786
other
Ti1Ni1Sn1
3
216
58
mp-5177
-8.617044
-6.193828
3.033614
other
Lu1Sn1Au1
3
216
71.54
mp-11882
-8.132565
-7.594459
3.183016
other
Ti1Cu1Hg2
4
216
71.82
mp-631364
-6.226675
-3.766024
3.825579
other
Ta1Os1Pb1
3
216
65.73
mp-961705
-7.360258
-4.429475
3.007454
other
Ti1Pt1Pb1
3
216
64.65
mp-1100406
-6.315849
-1.970852
2.768908
other
Nb1As1Ru1
3
216
56.13
mp-567351
-8.196552
-6.382001
6.518218
other
Tb16Mg4Ir4
24
216
648.99
mp-546711
6.619976
5.82223
-3.332453
other
Cs1Cl1O4
6
216
120.83
mp-1100409
-5.220107
-6.005284
0.678971
other
Li1Ca1Sb1
3
216
75.13
mp-568800
-5.761497
-5.526175
0.79456
other
Cd1Cu1Sb1
3
216
70.65
mp-11194
-9.09207
-1.556789
2.802386
other
Nd1Mg1Ni4
6
216
86.7
mp-1207057
-6.627087
-4.744371
0.895844
other
Tm1Bi1Pt1
3
216
73.19
mp-1077750
-9.326315
-4.44311
3.638802
other
Yb1Cu4Pd1
6
216
85.55
mp-631352
-6.82294
-3.356187
3.484774
other
Nb1Sn1Ru1
3
216
62.04
mp-37405
-4.932099
-2.847689
-4.298536
other
Al5Cu1Se8
14
216
292.74
mp-2988
-8.192475
-4.808882
3.990699
other
Li2Ga1Rh1
4
216
52.49
mp-961683
-3.253231
-4.135977
0.646131
other
Li1Mg1P1
3
216
54.61
mp-13434
-9.078527
-1.337943
2.850087
other
Ca1Mg1Ni4
6
216
83.71
mp-10756
-6.508582
-3.164123
0.898879
other
V1Fe1Sb1
3
216
56.09
mp-631335
-5.619448
-4.277254
3.972529
other
Mg1Ta1Zn1
3
216
58.22
mp-554769
-5.570978
1.77001
-5.031115
other
Mo4S4Br4
12
216
252.32
mp-1210009
-7.909433
-6.63944
6.596989
other
Nd16Mg4Pt4
24
216
723.91
mp-1071438
-9.1812
-1.677029
2.69529
other
Gd1Ni4Au1
6
216
86.58
mp-961717
-8.106843
-4.165766
3.277802
other
V1In1Pt1
3
216
59.67
mp-567636
-6.509872
-2.688727
1.083282
other
V1Fe1Sb1
3
216
47.62
mp-2885
-5.238134
1.132929
-4.258447
other
Ga1Mo4S8
13
216
237.6
mp-1212944
-8.252934
-6.373319
6.096387
other
Er16Cd4Pd4
24
216
614.36
mp-20896
-9.009684
-1.590954
2.935438
other
Tm1In1Ni4
6
216
83.44
mp-20523
-6.551352
-3.747068
3.447389
other
Hf1Ni1Sn1
3
216
62.69
mp-1222683
-7.055712
-4.66764
6.409644
other
La1Y1Al4
6
216
129.09
mp-510613
-2.531067
-8.248553
1.603347
other
Mn1Ni1As1
3
216
252.88
mp-631541
-5.009756
-5.443127
4.358967
other
Be1Ge1B1
3
216
33.81
mp-5222
-3.591197
0.421801
-3.038429
other
Re4Te4S4
12
216
260.97
mp-1100440
-6.464008
-6.527418
3.497749
other
Na1Sc1Sn1
3
216
86.02
mp-1080382
-8.183383
-3.28144
2.606066
other
Er1In1Pt4
6
216
111.22
mp-1219707
-7.031965
-4.588032
6.44253
other
Pr1Nd1Al4
6
216
129.93
mp-1215892
-6.148855
-4.748021
1.044715
other
Y1Sb1Pd1
3
216
82.21
mp-1100436
-3.779714
-5.132499
5.940904
other
Li1In1Si1
3
216
56.9
mp-1207056
-6.435034
-4.400784
0.687266
other
Y1Sb1Pd1
3
216
71.12
mp-1217889
-5.14239
-1.419938
4.515255
other
Ta1Ti1Be4
6
216
67.39
mp-631270
-6.51267
-6.821477
2.753511
other
Zn1Fe1Pb1
3
216
60.04