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-1208049
-8.336859
-6.445899
6.724196
other
Tm16Mg4Rh4
24
216
614.09
mp-962074
-7.314447
-7.249076
4.898235
other
Y1Tl1Cd1
3
216
93.42
mp-1211561
-7.169926
-6.422469
6.350035
other
La16Mg4Ni4
24
216
728
mp-3201
-7.732069
-5.83423
3.258934
other
Li2Ga1Pd1
4
216
54.84
mp-567418
-6.253556
-4.477965
0.907333
other
Ho1Sb1Pd1
3
216
76.23
mp-1222875
-7.084357
-4.594518
6.377169
other
La1Er1Al4
6
216
127.69
mp-1018016
-6.091742
-2.858774
4.1254
other
Ti2Al1Ni1
4
216
59.08
mp-631542
-5.064084
-7.072996
3.824393
other
Ba1Zr1Ni1
3
216
83.33
mp-35530
8.353113
14.483688
-1.355448
other
Li4Mn16O32
52
216
522.1
mp-631500
-6.434713
-9.941155
5.957628
other
Ba1Hf1Mg2
4
216
116.25
mp-568156
-8.195258
-6.605384
6.800088
other
Y16Cd4Ru4
24
216
632.13
mp-33300
9.118409
13.333863
-1.045506
other
Fe5Cu1O8
14
216
155.82
mp-1225043
-7.694943
-0.039263
5.827866
other
Dy1Y1Fe4
6
216
98.31
mp-12558
-5.031949
-5.007637
0.313127
other
Li1Mg1As1
3
216
58.33
mp-631560
-5.68571
-1.436522
3.983753
other
Sr1Mn1Re2
4
216
67.03
mp-1222655
-3.931287
-5.539248
5.43781
other
Li2In1Si1
4
216
73.56
mp-2219114
12.487272
11.727602
1.914137
other
Mg1Ti4O8
13
216
153.55
mp-569333
-6.068842
-6.011413
0.523118
other
Li2Ag1Bi1
4
216
78.13
mp-1222662
-5.823293
-6.086076
0.577922
other
Li2Mg1Bi1
4
216
90.28
mp-1227052
8.959102
2.427431
2.012262
other
Ca1H1F1
3
216
41.15
mp-631387
-7.059671
-1.989541
3.841487
other
Sn1Ru1W1
3
216
59.78
mp-631354
-7.434971
-1.400477
4.445095
other
Re1Os1Ru1
3
216
51.9
mp-1077741
-9.436729
-4.808049
3.776474
original
Yb1Cu4Ag1
6
216
89.26
mp-11390
-3.614163
-5.145706
6.245866
other
Li1Ga1Si1
3
216
51
mp-4025
-6.284279
-3.69535
0.967166
other
Tm1Ni1Sb1
3
216
61.02
mp-961713
-7.644491
-4.311613
2.889316
other
Zr1Sn1Pt1
3
216
64.95
mp-1208067
-8.249721
-6.487853
6.501076
other
Tm16Cd4Pd4
24
216
606.01
mp-1192794
-8.292793
-6.564566
6.556036
other
Gd16In4Ir4
24
216
661.78
mp-10755
-6.238056
-2.631681
1.463365
other
Ti1Fe1Sb1
3
216
53.92
mp-1217735
-7.634401
-4.542914
3.059741
other
Tb5Sn18Rh6
29
216
689.82
mp-631365
-5.758901
-3.401144
-1.64652
other
Te1Ru1Pb1
3
216
80.8
mp-631371
-7.940811
-4.994425
3.31103
other
Tl1Cu1Ir1
3
216
59.41
mp-1197200
-9.450635
-5.524508
3.06783
other
Zn89Cr4Au10
103
216
1,592.74
mp-1072041
-9.576358
-4.76695
3.829427
other
Gd1Cu4Au1
6
216
89.3
mp-15208
-4.772694
-1.132107
-2.93453
other
Nb4Ga1Se8
13
216
290.35
mp-4139
-4.090842
-0.133528
-3.911841
other
Nb4Ga1S8
13
216
256.67
mp-1206021
9.500171
9.665412
0.059176
other
Zr1Ni4O1
6
216
73.52
mp-1212321
-8.430475
-6.48285
6.861235
other
Ho16Mg4Ru4
24
216
629.01
mp-1217482
-8.704665
-0.490011
5.024657
other
Tb1Ho1Co4
6
216
91.07
mp-1233139
-3.987207
-0.215051
-4.597428
other
Mg1Ti4S8
13
216
261.65
mp-961731
-6.524352
-3.653222
3.767078
other
Nb1In1Ni1
3
216
60
mp-962071
-6.745096
-7.132401
4.79631
other
Mg1Sc1Tl1
3
216
82.67
mp-1212342
-7.989455
-6.520165
6.743283
other
Ho16Mg4Co4
24
216
604.11
mp-1100442
0.451917
1.111352
-3.242712
other
Ti1Au1Br1
3
216
65.73
mp-30349
-6.60792
-7.026064
2.817471
other
Li2Ag1Pb1
4
216
74.6
mp-1216635
-7.67949
-3.54728
3.339024
other
Ti1Sn1Ir1
3
216
58.92
mp-1210803
-8.430074
-6.334237
6.33311
other
Lu16Cd4Pt4
24
216
589.37
mp-2210612
-4.260675
-1.546199
-5.802351
other
Mg1Cu1S1
3
216
54.74
mp-5967
-6.372725
-2.671443
1.485433
other
Ti1Co1Sb1
3
216
50.22
mp-961701
-4.315077
-7.448603
3.376528
other
Zr1Ag1B1
3
216
56.8
mp-961684
-4.705019
-5.441952
0.63326
other
Li1Ca1As1
3
216
74.58
mp-1217470
-7.064026
-4.434509
6.440822
other
Tb1Ho1Al4
6
216
119.89
mp-631582
-6.081551
-1.325686
4.028808
other
Al1Tc2Pb1
4
216
68.82
mp-29733
-6.328909
-4.931141
0.54589
other
Mg1Ni1Bi1
3
216
59.75
mp-1215020
-9.278399
-5.177566
2.968229
other
Al4Zn78Pd18
100
216
1,507.96
mp-1103718
-4.891402
0.250521
-4.85922
other
Al1V4S8
13
216
229.05
mp-962077
0.714319
1.261239
-3.082979
other
Ti1Au1Cl1
3
216
59.2
mp-961692
-6.186976
-3.488082
3.631687
other
Ta1In1Ni1
3
216
59.53
mp-961698
-3.335398
-4.130178
0.718602
other
Li1Zn1P1
3
216
47.07
mp-1025116
-9.548997
-4.85394
4.009739
other
Tm1Cu4Ag1
6
216
86.77
mp-35267
-4.623469
-1.10558
-6.099415
other
Al5Cu1S8
14
216
245.9
mp-505599
-6.382384
-2.95099
0.887324
other
V1Ni1Sb1
3
216
51.55
mp-1206681
-6.685421
-5.034817
0.732135
other
Sc1Bi1Pd1
3
216
67.98
mp-510113
-6.615329
-4.317372
0.874251
other
Mn10Ni4Bi8
22
216
435.35
mp-631487
-7.291081
-1.858612
4.581012
other
La1Be1Os2
4
216
68.92
mp-1220051
-7.02447
-4.475482
6.42221
other
Nd1Ho1Al4
6
216
123.75
mp-1212869
4.423455
2.488026
-3.191938
other
Fe1Cu2C12
15
216
252.05
mp-1210653
-8.663445
-6.357538
6.558751
other
Lu16Cd4Ir4
24
216
583.47
mp-1100431
0.416047
1.292658
-4.400559
other
Sr1Br1Cl1
3
216
95.07
mp-567347
-7.0062
-6.758014
2.676216
other
Li2Ag1Sn1
4
216
69.82
mp-1208458
-7.623447
-6.559242
6.612651
other
Tb16Mg4Ni4
24
216
631.52
mp-1206307
-8.971785
-1.554848
2.874094
other
Yb1In1Ni4
6
216
84.63
mp-12009
-9.472061
-4.853493
3.879107
other
Yb1Cd1Cu4
6
216
91.67
mp-724172
6.607783
6.515727
-3.867914
other
N1Cl1O4
6
216
114.63
mp-1212304
-8.294621
-6.413656
6.611167
other
Ho16Mg4Rh4
24
216
630.2
mp-20889
-7.372105
-4.164759
2.976955
other
Hf1Sn1Pt1
3
216
69.2
mp-1225587
-7.476979
-1.087066
5.522556
other
Dy1Er1Mn4
6
216
93.45
mp-5944
-6.489566
-4.301792
0.797822
other
Mn1Sb1Au1
3
216
67.4
mp-1222166
2.996164
-0.440736
-1.907195
other
Mg1Ti2H6
9
216
72.99
mp-961707
-5.833052
-4.764479
1.122103
other
La1Ni1Sb1
3
216
81.69
mp-1207802
-8.332971
-6.561885
6.661237
other
Y16Cd4Ir4
24
216
635.08
mp-962057
-4.051446
-5.975722
5.013277
other
Sr1Ca1Si1
3
216
96.57
mp-631405
0.668935
1.205965
-2.160629
other
Zr1Tc1Cl1
3
216
53.71
mp-631344
-4.41699
-2.900104
-3.498946
other
Na1Os1Se2
4
216
72.54
mp-631381
-6.134295
-2.487849
-0.871849
other
Te1Ru1Se1
3
216
65.71
mp-1210733
-8.364405
-6.332811
6.489237
other
Lu16Mg4Rh4
24
216
599.57
mp-1062306
-7.164957
-1.312406
3.296812
other
Mn1Si1Ni1
3
216
40.74
mp-1100429
-4.820948
-6.290884
0.797197
other
K1Sr1Sb1
3
216
121.7
mp-1072944
-9.367502
-4.573971
3.798462
other
Sc1Cu4Sn1
6
216
89.66
mp-631575
-5.170667
-5.841935
3.078334
other
Ti1Cr1Ag1
3
216
56.95
mp-546118
6.504644
5.870484
-3.482605
other
Na1Cl1O4
6
216
100.49
mp-1100405
-6.235799
-2.883797
-0.452845
other
Sc1Te1Rh1
3
216
62.03
mp-1017515
-6.679469
-1.229499
1.987527
other
Mn2Co1As1
4
216
47.33
mp-961704
-7.236224
-4.828321
3.67333
other
Nb1Tl1Pt1
3
216
64.99
mp-1072653
-9.155712
-4.631876
4.114625
other
U1Cu4Ag1
6
216
91.62
mp-961710
-5.959329
-3.706186
4.493498
other
V1Si1Pt1
3
216
49.35
mp-567342
-8.027242
-6.621602
6.782036
other
Nd16Mg4Ir4
24
216
709.74
mp-1219727
-7.621088
-0.02769
5.781783
other
Pr1Sm1Fe4
6
216
103.9
mp-631299
-6.577696
-1.489486
4.296589
other
Nb1Cr1Co1
3
216
49.81
mp-631467
-3.135517
-5.187047
6.262746
other
Be1In1Si2
4
216
66.38