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-1185297
7.352867
8.628811
-1.410554
other
Li1Ac1O3
5
221
60.21
mp-3591
-9.261099
-1.749457
3.816281
other
Nd1B1Rh3
5
221
75.86
mp-1186113
9.390751
11.659857
-0.71988
other
Ni1Sb1O3
5
221
54.95
mp-1184023
7.629411
7.225321
-1.658326
other
Ga1B1O3
5
221
38.08
mp-545379
9.841136
8.892453
-0.33086
other
In1Bi1O3
5
221
72.66
mp-1017555
8.606635
0.413012
1.273728
other
Cs1Be1F3
5
221
65.71
mp-975463
7.25527
8.511586
-1.376357
other
Rb1Ac1O3
5
221
99.65
mp-1183681
9.404678
11.9481
-0.989321
other
Co1Sb1O3
5
221
53.36
mp-571458
-1.203468
2.906042
-2.864311
other
Rb1Ge1I3
5
221
206.91
mp-998786
8.54003
1.487739
0.539362
other
Tl1Pd1F3
5
221
77.94
mp-1094101
-7.112751
-6.258016
5.712131
other
Nd3Pb1N1
5
221
126.51
mp-1418929
7.008575
9.724219
-0.800878
other
Y1Ag1O3
5
221
66.65
mp-973960
6.911359
8.555467
-1.998358
other
K1Sc1O3
5
221
74.65
mp-19353
10.167042
11.025748
1.775836
other
Pr1Cr1O3
5
221
58.72
mp-19035
5.230525
10.78033
-1.286934
other
Ba1Fe1O3
5
221
61.7
mp-1186403
12.236999
9.567475
1.616487
other
Pa1Ta1O3
5
221
65.83
mp-10134
-8.772902
-4.504163
2.235168
other
Tm1B1Pd3
5
221
79.35
mp-1183685
7.931548
8.818964
-0.460204
other
Ce1Be1O3
5
221
46.67
mp-21280
5.986423
8.578532
-0.968225
other
Ba1Pb1O3
5
221
83.01
mp-1024044
15.834058
9.698126
4.959005
other
Mg3Cr1O4
8
221
80.35
mp-1016835
8.3129
10.878128
0.891326
other
Ca1Ru1O3
5
221
60.68
mp-1147740
1.457469
2.636031
-4.422735
other
Pt3Cl3F1
7
221
126.7
mp-15856
-8.379972
-1.631169
3.014266
other
Dy1Rh3C1
5
221
71.36
mp-21392
-7.161643
-6.99667
7.003354
other
Tb3In1C1
5
221
176.5
mp-547069
9.352653
11.099916
-0.013417
other
Fe2Bi2O6
10
221
122.79
mp-1206909
-8.557217
-4.593987
2.097619
other
Ca1B1Pd3
5
221
78.32
mp-20543
-7.093
-6.931159
6.725407
other
Pr3Sn1C1
5
221
203.4
mp-865424
11.404846
8.813201
1.770334
other
Cs1U1O3
5
221
86.08
mp-984632
6.357656
8.534039
-2.550117
other
Ca1Be1O3
5
221
47.24
mp-863708
11.276879
8.928249
2.357773
other
K1Pu1O3
5
221
76.61
mp-975443
7.274767
11.330792
-0.96563
other
In1Cu1O3
5
221
54.33
mp-1184204
12.193021
9.631375
1.517558
other
Er1Ta1O3
5
221
65.11
mp-21135
12.149963
8.935025
2.470423
other
Pr3In1O1
5
221
126.04
mp-1183413
6.725998
8.693443
-2.388575
other
Be1Hg1O3
5
221
48.89
mp-1206985
-6.908839
0.607662
3.989369
other
Ti1Fe3N1
5
221
52.23
mp-1016825
10.117317
9.894056
3.495748
other
Hf1Mg1O3
5
221
67.54
mp-1184669
12.052178
9.30184
2.188327
other
Hf1Np1O3
5
221
69.99
mp-13819
8.339755
0.605706
0.407115
other
K1Ag1F3
5
221
80.25
mp-998761
9.203221
0.86778
0.640735
other
Tl1Ni1F3
5
221
68.29
mp-10374
-4.966555
-0.161909
3.403475
other
Cr3Pt1N1
5
221
59.93
mp-1018644
-8.172544
-3.286527
2.358201
other
Y1B1Pt3
5
221
82
mp-1094052
-7.306637
-6.378172
6.281569
other
Sm3Al1N1
5
221
117.9
mp-1206894
-7.694283
-6.38164
6.665288
other
Lu3Al1C1
5
221
105.07
mp-1183918
6.930894
8.43165
-1.463013
other
Cs1La1O3
5
221
108.21
mp-984553
7.669459
6.725426
-1.666401
other
B1Os1O3
5
221
39.56
mp-1207000
10.786016
8.852683
1.168387
other
Dy1Bi1O3
5
221
86.48
mp-1103058
7.822597
8.190998
-0.125034
other
Rb8As1O3
12
221
391.66
mp-3448
8.636003
0.720254
1.671286
other
K1Mg1F3
5
221
62.97
mp-31149
-5.237788
-6.387091
1.754918
other
Ca3Bi1N1
5
221
117.67
mp-1186897
7.17337
10.235212
-0.904884
other
Rb1Rh1O3
5
221
66.07
mp-1183283
7.056434
8.723049
-1.770734
other
Ba1Al1O3
5
221
61.95
mp-1068389
2.393285
2.802451
-4.113187
other
Sn1C1Cl3
5
221
146.29
mp-1185420
7.621567
11.148855
-0.375338
other
Li1Ru1O3
5
221
56.39
mp-21128
-5.235456
-7.347173
3.069464
other
Ca3Pb1N1
5
221
211.07
mp-4783
7.138995
8.355851
-0.53324
other
Ba1Pr1O3
5
221
96.73
mp-20679
-7.160132
-0.096609
3.262402
other
Co3Sn1C1
5
221
56.94
mp-1185263
11.353719
8.940181
3.005574
other
Li1Pa1O3
5
221
80.52
mp-975990
6.305255
8.610408
-2.473156
other
Na1Li1O3
5
221
56.53
mp-1183980
10.525442
9.01995
-0.6314
other
Ga1Ge1O3
5
221
52.91
mp-975138
12.178847
10.876182
-0.770162
other
Rb1W1O3
5
221
66.84
mp-19899
-7.565331
-6.35512
6.359016
other
Dy3Sn1C1
5
221
115.55
mp-1184987
6.885622
8.456701
-1.363472
other
K1Gd1O3
5
221
88.77
mp-1020029
10.173531
11.225542
0.215721
other
Li8P1O3
12
221
127.57
mp-22664
-8.350642
-1.651792
2.945495
other
Ho1Rh3C1
5
221
71.04
mp-972931
6.800953
8.739939
-1.616054
other
Eu1Mg1O3
5
221
60.36
mp-1017000
10.28374
10.067949
3.543291
other
Mg1Zr1O3
5
221
70.62
mp-10351
-7.428978
-6.719333
7.102821
other
Tm3Ga1C1
5
221
142.68
mp-867195
9.834896
10.550287
0.7918
other
Sr1Os1O3
5
221
63.63
mp-31056
-7.654786
-6.363168
5.78845
other
Dy3In1N1
5
221
110.04
mp-28166
0.090124
2.308822
-3.748859
other
K3Br1O1
5
221
139.82
mp-1186112
8.276447
10.172834
-1.37679
other
Ni1Pt1O3
5
221
61.84
mp-983578
6.17978
8.879161
-1.616763
other
Cs1Bi1O3
5
221
86.21
mp-1024034
16.782295
9.749789
6.918581
other
Sr1Mg3O4
8
221
97.53
mp-1099256
16.331524
9.335113
6.063719
other
Mg3B1O4
8
221
72.98
mp-1020591
8.289349
8.63729
-0.153941
other
Rb8N1O3
12
221
333.64
mp-10666
-6.068312
0.085527
3.586036
other
Mn3Ag1N1
5
221
64.17
mp-8368
-7.125603
-6.902859
7.153603
other
Pr3Ga1C1
5
221
169.79
mp-1016849
8.480693
11.102633
0.270248
other
Cd1Ru1O3
5
221
60.62
mp-8402
8.56813
0.714533
1.591771
other
Rb1Mg1F3
5
221
66.77
mp-1187145
7.232669
8.441724
-0.419715
other
Sr1Dy1O3
5
221
83.62
mp-1096836
-3.105146
-1.994122
-5.333565
other
Ba3Sn1S4
8
221
253.95
mp-1206443
-7.139921
-6.435053
5.748562
other
La3Sn1C1
5
221
142.26
mp-7166
-7.073256
-7.1703
6.871222
other
Pr3Tl1C1
5
221
202.45
mp-1187781
11.997966
9.667646
0.974852
other
U1Ir1O3
5
221
64.45
mp-19749
-7.195011
-7.054917
7.108154
other
Pr3In1C1
5
221
198.29
mp-21888
-7.199252
-6.778683
6.943865
other
Tm3Sn1C1
5
221
168.56
mp-569875
-8.895861
-1.849006
3.966302
other
Sc1B1Rh3
5
221
68.75
mp-22593
11.984758
10.453521
1.153869
other
Ce1V1O3
5
221
60.25
mp-1076633
10.06962
12.146695
-3.355346
other
K1V1O3
5
221
57.2
mp-972058
7.351593
8.51663
-1.040051
other
Yb1Tm1O3
5
221
76.31
mp-3271
-5.355625
-2.375165
3.742255
other
Ti3Al1C1
5
221
72.51
mp-1187530
7.14452
9.305661
-1.939404
other
Tl1Hg1O3
5
221
77.37
mp-5878
8.744119
0.907891
1.302286
other
K1Zn1F3
5
221
66.3
mp-1018639
11.500098
11.2252
1.91787
other
Ti1Sn1O3
5
221
61.66
mp-1206822
-7.266719
-6.204246
5.800032
other
Pr3Sn1N1
5
221
128.82
mp-1040472
12.271796
10.917904
-0.870503
other
K1W1O3
5
221
64.83
mp-1975771
1.472839
2.674179
-5.717164
other
Rb1Ag1Cl3
5
221
131.62
mp-1436662
12.169831
9.899529
2.071118
other
Y1Ti1O3
5
221
59
mp-1013584
-4.774688
-6.412697
1.208016
other
Ba3Bi1Sb1
5
221
279.42
mp-976320
11.675186
10.365095
0.810761
other
Eu1Re1O3
5
221
64.07