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-1187923
-9.493664
-4.776763
3.620708
other
Zn3Cr1
4
221
53.91
mp-1185032
-6.150884
-8.034041
5.347964
other
K1Ac3
4
221
189.48
mp-1013546
-5.043807
-6.057832
0.737055
other
Ca3Sb2
5
221
192.52
mp-11500
-7.815697
-0.941833
3.178236
other
Mn1Ni1
2
221
24.77
mp-1296
-3.528268
1.767399
2.974892
other
Er1B6
7
221
67.62
mp-2696
-8.024283
-6.775896
2.551906
other
Mg1Ag1
2
221
36.07
mp-1186278
-6.95503
-6.888924
7.062587
other
Nd3Eu1
4
221
146.08
mp-12982
-5.463874
-4.038369
0.765123
other
Sc1As1
2
221
39.15
mp-1187224
-6.206536
-6.399705
5.884469
other
Sr1Ce3
4
221
130.09
mp-1009485
0.410879
2.130301
2.164474
other
Cr1N1
2
221
16.03
mp-569125
-7.166282
-10.051538
4.78621
other
Mg3In1
4
221
88.55
mp-11249
-9.140695
-6.415726
3.994583
other
Lu1Au1
2
221
42.75
mp-1184761
-7.732831
-1.590845
3.864789
other
Ir3Os1
4
221
56.98
mp-1008998
-2.70611
-3.802228
-3.749963
other
La1S1
2
221
45.71
mp-2459
-6.941259
-6.644713
4.055126
other
Yb1In1
2
221
56.21
mp-1002109
-6.834993
-0.7016
3.73376
other
V1Co1
2
221
24.15
mp-973060
-8.200847
-11.01392
6.185074
other
Mg1Cr1
2
221
36.79
mp-1184840
-3.955866
-7.05409
2.191506
other
K3Al1
4
221
192.29
mp-998981
-6.157033
-2.756862
5.637118
other
Ti1Al3
4
221
61.9
mp-1183317
-4.697358
-7.286854
3.639596
other
Ba3Sm1
4
221
212.32
mp-1058159
-3.447677
-1.715261
-5.308633
other
Na1S1
2
221
39.32
mp-11406
-7.597754
-6.647239
6.817645
other
Pr3Ga1
4
221
116.33
mp-1184295
-5.964796
-7.205227
3.888708
other
Eu3Ag1
4
221
132.94
mp-1206636
-6.377189
-7.4195
2.882868
other
Sr1Tl3
4
221
120.86
mp-11240
-9.140811
-6.49304
3.816782
other
Dy1Au1
2
221
45.54
mp-1703
-7.43503
-6.901407
4.123455
other
Yb1Zn1
2
221
47.12
mp-866022
-8.116753
-3.075531
2.447511
other
Cd1Pt3
4
221
64.52
mp-976111
-5.750905
-5.262912
2.831711
other
Ge3Sb1
4
221
86.83
mp-1187729
-7.241622
-6.851234
7.321198
other
Tm3Np1
4
221
115.89
mp-2217
-8.186302
-6.92066
5.136687
other
Lu1Cd1
2
221
48.27
mp-1185202
-6.000045
-6.994917
2.32132
other
K1Pb3
4
221
132.76
mp-1948
-8.241035
-6.671609
4.641319
other
La1Ag1
2
221
55.37
mp-1001834
1.146129
1.470461
2.873485
other
Hf1N1
2
221
22.33
mp-972103
-5.18314
-3.185929
3.705029
other
U3C1
4
221
66.1
mp-1060967
-0.454599
1.177689
-4.65199
other
Ag1Br1
2
221
46.81
mp-21432
-6.661883
-6.558698
3.256045
other
La1Pb3
4
221
121.16
mp-1185105
-5.131579
-4.080211
3.767322
other
La1U3
4
221
93.95
mp-999543
-7.906597
-0.095581
3.753704
other
Mn1Co3
4
221
44.54
mp-1186947
-5.078053
-7.447122
3.456652
other
Rb1Eu3
4
221
217.55
mp-1187279
-7.731303
-6.58107
6.666093
other
Tb3Hg1
4
221
112.15
mp-568042
-5.178678
-4.814095
4.008317
other
Np3Tl1
4
221
100.37
mp-12661
-7.477933
-6.775702
2.287186
other
Cd3In1
4
221
90.92
mp-2523
-7.675591
-3.183663
2.536876
other
Pu1Pt3
4
221
68.97
mp-20971
-7.886174
-3.062171
2.395637
other
Sn1Pt3
4
221
65.42
mp-21214
-4.386568
-3.253824
-3.967554
other
Pb1Se1
2
221
54.2
mp-1169
-8.611793
-4.991258
4.496962
other
Sc1Cu1
2
221
34.04
mp-768
-6.922586
-4.336131
6.54015
other
Tm1Al3
4
221
73.67
mp-20566
-6.734106
-6.712578
2.770009
other
Mg1In3
4
221
96.6
mp-1185074
-6.906944
-6.823406
7.162304
other
La1Nd3
4
221
143.71
mp-1186262
-7.066304
-6.891649
7.33028
original
Nd3Dy1
4
221
137.58
mp-1186530
-6.858232
-7.208284
7.18805
other
Pm3Sm1
4
221
137.2
mp-975057
-3.856522
-7.056409
2.135509
other
Rb3Dy1
4
221
261.45
mp-1059707
-5.785515
-6.713837
3.657876
other
Ca1Ni1
2
221
40.23
mp-1186906
-3.914431
-6.997713
2.413196
other
Rb3Gd1
4
221
189.41
mp-1014219
-6.707279
-4.130084
3.677006
other
Hf1Zn1
2
221
35.13
mp-10596
-7.492125
-1.399491
3.553312
other
Fe1Ir3
4
221
55.65
mp-1187914
-6.267782
-5.487242
0.971197
other
Yb1Bi3
4
221
123.05
mp-19764
-7.53031
-6.711073
6.563923
other
Pr3In1
4
221
127.6
mp-1186421
-5.796607
-6.670409
2.151021
other
Pb3O1
4
221
101.96
mp-1186348
-7.193962
-6.920332
7.109466
other
Nd1Gd3
4
221
140.9
mp-348
-9.039002
-5.914257
4.963499
original
Tm1Pd1
2
221
40.69
mp-978034
-3.867437
-7.084811
2.017685
other
Rb3Sm1
4
221
265.98
mp-972156
-6.88726
-6.75546
7.083697
other
Tb1Y3
4
221
131.78
mp-1540
-7.673722
-7.360568
5.598957
other
Ho1Tl1
2
221
52.63
mp-614895
-5.519171
-4.6033
3.193579
other
Pu3In1
4
221
82.11
mp-892
-8.159836
-4.219765
4.037536
other
Sc1Pt1
2
221
35.59
mp-1187925
-6.21744
-7.153648
4.398543
other
Yb3Cd1
4
221
132.45
mp-975802
-6.013832
-4.662066
1.04329
other
Pr1Sb3
4
221
113.94
mp-1197139
-7.84733
-6.917825
2.661146
other
Pu3Cd33
36
221
816.74
mp-1183629
-6.348856
-5.779454
0.629379
other
Cd1Bi3
4
221
121.53
mp-542
-6.815989
-7.410553
2.786951
other
Sr1Hg1
2
221
62.24
mp-1186274
-7.405111
-6.823564
6.938834
other
Nd3Mg1
4
221
128.99
mp-1212609
-8.565218
-4.516667
2.427448
other
Ga1Pd1
2
221
30.39
mp-11563
-7.543131
-2.445399
3.979479
other
Ti1Rh1
2
221
30.23
mp-1184660
-7.99245
-6.469884
6.53959
other
Ho3Ga1
4
221
103.59
mp-11483
-9.101014
-5.392791
6.074674
other
Tm1Ir1
2
221
37.82
mp-1002224
-4.173073
-3.820956
0.891627
other
Er1P1
2
221
40.59
mp-232
-8.939005
-5.517258
6.153503
other
Dy1Rh1
2
221
39.4
mp-979956
-6.004711
-7.342893
4.508625
other
Yb3Mg1
4
221
142.15
mp-1010161
-5.542061
-4.178008
0.7713
other
Dy1As1
2
221
45.75
mp-20939
-6.582379
-6.584889
3.23493
other
Pr1Pb3
4
221
119.52
mp-1185880
-7.476232
-7.471151
1.884214
other
Mg1Hg3
4
221
89.64
mp-11552
-7.831376
-3.732419
3.167139
other
Ti1Pt1
2
221
32.14
mp-971957
-7.510884
-6.50776
6.243575
other
Tm3Pb1
4
221
110.26
mp-1185989
-6.343645
-5.558713
0.491866
other
Mn1Bi3
4
221
114.22
mp-1013560
-4.483392
-5.873625
1.225662
other
Ba3As2
5
221
236.52
mp-2064
8.286132
0.590347
1.465147
other
Rb1F1
2
221
38.29
mp-1186855
-6.913607
-4.303957
6.488747
other
Tb1Al3
4
221
76.44
mp-30343
-7.939301
-6.616946
2.034276
other
In1Ag3
4
221
73.4
mp-2103
-8.666186
-5.472366
2.251359
other
Cu1Au3
4
221
64.62
mp-1207075
7.24438
9.22851
-0.884654
other
Tl1O1
2
221
32.2
mp-1183624
-7.691084
-6.40796
2.404631
other
Cd3Ni1
4
221
73.04
mp-505534
-3.58055
1.772984
3.058076
other
Pu1B6
7
221
69.52
mp-2205
-9.042484
-5.790123
4.712295
other
Lu1Pd1
2
221
39.64
mp-11318
-7.915991
-3.372358
2.546086
other
Ce1Pt3
4
221
71.43
mp-979253
-7.184044
-6.904608
7.392115
other
Sm3Tm1
4
221
131.53
mp-758433
-7.704203
-7.463205
1.930542
other
Ag1Hg1
2
221
41.18
mp-1636
-6.497614
-2.015201
1.661743
other
Mn3Sb1
4
221
55.45
mp-977573
2.826291
-0.377061
-1.715248
other
Hf1H3
4
221
29.35
mp-1184768
-7.869891
-1.694155
3.517308
other
Ir1Rh3
4
221
55.61