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-510403
-6.160378
-4.987097
1.951299
other
Gd1Sb1
2
225
61.67
mp-1186946
-5.084237
-7.433407
3.393016
other
Rb1Eu3
4
225
231.12
mp-370
-4.128433
-1.593569
-5.700073
other
Cd1S1
2
225
41.74
mp-1186431
-7.389563
-4.284088
1.191774
other
Pd3S1
4
225
61.33
mp-1185057
-4.005704
-7.249911
2.251524
other
K3Yb1
4
225
263.66
mp-1039180
-5.731972
-5.231943
5.395825
other
Mg1Al3
4
225
72.04
mp-1184555
-4.901085
-5.134135
3.03196
other
Ge3B1
4
225
66.16
mp-21391
-4.842439
-4.884965
0.156052
other
In1As1
2
225
47.64
mp-999495
2.209681
1.809651
0.923946
other
Na3N1
4
225
62.31
mp-1058549
1.809644
2.052007
0.921833
other
Ca1N1
2
225
31.55
mp-983388
-4.135324
-7.162605
1.705142
other
K3Hg1
4
225
191.79
mp-1184862
-3.89046
-7.162282
2.125224
other
K3Mg1
4
225
216.69
mp-1018023
-7.314799
-1.63927
3.017303
other
Mn3Sn1
4
225
57.33
mp-1147761
7.707092
11.154123
-0.855591
other
Cu8O7
15
225
147.89
mp-1187558
8.752958
1.621417
1.892762
other
Tm1F3
4
225
39.94
mp-972767
12.327539
8.44171
1.184969
other
Si3F1
4
225
53.47
mp-23259
-0.183796
1.427595
-4.421436
other
Li1Br1
2
225
40.37
mp-2199
-6.888064
-0.129228
3.447567
other
Fe3Si1
4
225
44.55
mp-24208
3.252279
-0.391447
-1.862384
other
Cr1H2
3
225
20.61
mp-1006223
-3.555932
1.874946
2.863037
other
Gd1B12
13
225
105.93
mp-1561
-3.347085
-4.117495
-2.980153
other
Tb1Se1
2
225
47.96
mp-931
-4.098744
-3.962102
0.709632
other
Th1P1
2
225
50.5
mp-1058171
-3.327931
-1.79169
-5.379897
other
Na1S1
2
225
47.28
mp-867226
-6.580821
-6.948336
3.316462
other
Li3In1
4
225
71.45
mp-1187724
-5.662962
-3.744694
3.620102
other
U3Pt1
4
225
76.76
mp-634930
3.445198
-0.860901
-2.536823
other
Yb1H3
4
225
35.35
mp-979074
6.321311
8.662796
-2.490122
other
Tm1O3
4
225
42.03
mp-23300
-6.782156
-5.675763
3.079468
other
Nd1Bi1
2
225
69.1
mp-976122
-5.721238
-5.272081
2.799646
other
Ge3Sb1
4
225
86.91
mp-1184456
-5.535045
-7.32711
4.104092
other
Eu3U1
4
225
171.87
mp-2784
-5.92456
-3.758388
-2.137528
other
Na2Te1
3
225
95.9
mp-998988
-5.759197
-2.986231
3.89929
other
Ti3Ga1
4
225
65.4
mp-862899
-7.998384
-7.255764
3.970994
other
Pm1Cd3
4
225
94.12
mp-24084
3.305195
-0.466511
-2.338423
other
K1H1
2
225
45.63
mp-975050
-3.996953
-7.060365
1.781594
other
Rb3Co1
4
225
201.03
mp-2186
-4.79808
-3.924946
0.451486
other
Np1As1
2
225
50.53
mp-20969
-5.269257
-4.208299
0.662934
other
Np1Sb1
2
225
61.84
mp-862910
2.955245
-0.49078
-1.839325
other
Pm1H3
4
225
38.5
mp-10051
-5.557774
-3.572807
-1.524075
other
Te1As1
2
225
52.27
mp-1206378
-9.421986
-4.938151
3.434231
other
Zn7Tc1
8
225
111.74
mp-463
8.221953
0.878893
1.331263
other
K1F1
2
225
37.41
mp-1183509
-5.097558
-7.273449
4.186139
other
Ca3Pm1
4
225
155.74
mp-1569
-4.737919
0.082235
3.220723
other
Be2C1
3
225
20.22
mp-1104289
-3.545346
1.861702
2.865745
other
Lu1B12
13
225
103.07
mp-1096937
-1.099849
2.62963
-3.311943
other
Cu1I1
2
225
46.89
mp-2201
-4.362169
-3.338825
-3.965125
other
Pb1Se1
2
225
59.05
mp-23251
-0.28598
1.417555
-4.443022
other
K1Br1
2
225
71.52
mp-2863
-7.94548
-6.763949
4.184334
other
Ce1Cd3
4
225
97.41
mp-13181
8.61097
1.520637
2.0819
other
La1F3
4
225
50.39
mp-1184047
-4.946896
-5.206244
4.522563
other
Cs1Np3
4
225
85.33
mp-1747
-5.714913
-3.767206
-2.040233
other
K2Te1
3
225
136.96
mp-20457
-3.298596
-4.144103
0.638456
other
In1P1
2
225
42.45
mp-977140
-5.629861
-3.969697
3.874917
other
Na1Ta3
4
225
74.78
mp-1194041
-9.625904
-4.75084
4.192482
other
Dy6Cu23
29
225
434.46
mp-1094244
-7.019521
-10.83234
4.591467
other
Mg3Sn1
4
225
93.61
mp-1187776
-5.387497
-3.490792
3.359389
other
U3Cu1
4
225
72.9
mp-579
-5.174222
-0.032378
3.094347
other
Cr1C1
2
225
17.33
mp-977200
-4.614563
-7.159682
3.190212
other
Na3C1
4
225
74.02
mp-1193017
-9.140635
-6.474333
4.598387
other
Gd6Zn23
29
225
504.68
mp-8022
12.203837
9.124295
1.821425
other
Al2O1
3
225
46.09
mp-11247
-6.88624
-6.821258
3.02665
other
Li3Au1
4
225
59.97
mp-925
-0.001643
2.045336
2.44545
other
V1N1
2
225
17.55
mp-7830
12.115928
8.87345
1.829091
other
U1O1
2
225
28.76
mp-1820
-2.914886
-2.700492
-4.988004
other
Yb1S1
2
225
45.42
mp-973786
3.352773
-0.629528
-2.523376
other
H3Pb1
4
225
41.02
mp-1187196
-6.104151
-2.242311
3.994762
other
Ta3Ir1
4
225
67.14
mp-24720
2.665308
-0.199237
-1.64023
other
Pu1H2
3
225
38.5
mp-1009078
0.421394
2.705002
1.673675
other
Co1N1
2
225
16.09
mp-998893
-2.465291
0.217275
2.559263
other
Y1C1
2
225
33.04
mp-1183578
3.425394
-0.76377
-2.468499
other
Ca1H3
4
225
36.72
mp-1018145
-7.666477
-3.300001
2.573451
other
Mn1Sn1
2
225
41.49
mp-1184236
-6.575225
-6.072304
2.042578
other
Ga1Sn3
4
225
101.8
mp-1187140
-4.838439
-7.296713
3.924054
other
Sr3Th1
4
225
180.4
mp-10759
-4.534187
-2.795132
-3.605974
other
Ge1Se1
2
225
44.3
mp-31349
-5.17528
-7.253062
3.587453
other
Sr3In1
4
225
162.87
mp-1096
-3.216994
-3.787365
-2.979575
other
Ce1S1
2
225
45.89
mp-1161
-3.430607
-4.008979
-3.084753
other
La1Se1
2
225
56.83
mp-998982
-5.622552
-3.088962
3.582131
other
Ti3Sn1
4
225
72.21
mp-20340
1.711331
1.774399
1.221084
other
Eu1N1
2
225
32.57
mp-19184
13.10781
11.042938
0.42383
other
V2O2
4
225
41.8
mp-974843
-4.209768
-6.935123
1.845864
other
Rb3Os1
4
225
165.26
mp-979955
-5.854426
-7.36076
4.413558
other
Yb3Mn1
4
225
119.84
mp-978285
-7.915846
-10.869171
5.610811
other
Mg3Mn1
4
225
78.75
mp-22866
-6.921715
-5.745905
3.495101
other
Ho1Bi1
2
225
62.09
mp-1186909
-7.378151
-1.718182
3.951147
other
Ru3F1
4
225
53
mp-973969
-5.620345
-3.863916
3.827213
other
Ho1Ta3
4
225
80.95
mp-1009077
2.22289
-0.213696
-1.681119
other
Fe1H1
2
225
13.64
mp-1018063
2.829808
-0.43808
-1.764604
other
Er1H3
4
225
33.02
mp-16366
-5.493512
-2.876997
-4.559018
other
Cu2Se1
3
225
48.83
mp-972071
-6.171381
-0.779151
3.727969
other
V3Mo1
4
225
55.31
mp-582924
-7.536307
0.638659
4.990148
other
Zr6Fe23
29
225
404.5
mp-1719
1.522607
0.893492
2.168292
other
Pu1N1
2
225
30.29
mp-1751
-5.616022
-4.547715
0.881755
other
Th1Sb1
2
225
64.87
mp-1183487
-5.188496
-7.377204
4.202848
other
Ca3Y1
4
225
153.05
mp-1184340
-5.579566
-7.382779
4.099691
other
Eu3V1
4
225
134
mp-1447
-3.310987
-4.054516
-3.136877
other
Sm1Se1
2
225
50.99
mp-973528
-4.192897
-7.078487
2.741132
other
K3Si1
4
225
155.9
mp-16522
-8.187175
-4.276405
3.861548
other
Al2Pd1
3
225
51.32
mp-1184364
-7.659765
-0.213621
3.618049
other
Fe3Rh1
4
225
50.33
mp-994
-3.953721
-3.953803
0.975386
other
Y1P1
2
225
45.85