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-973536
11.440603
8.776975
2.346981
other
Lu1U1O3
5
221
73.67
mp-1187714
11.694128
9.245644
1.489865
other
U1Pd1O3
5
221
74.63
mp-1147674
1.435934
2.222023
1.093268
other
Li1Cu3N3
7
221
65.7
mp-975206
9.48315
9.64813
-1.043364
other
Rb1Sb1O3
5
221
68.45
mp-1247483
-7.590124
-1.05083
2.141781
other
Ni3Sb1N1
5
221
60.58
mp-10040
-7.847203
-3.138966
2.388069
other
Al1Pt3C1
5
221
73.3
mp-29243
-5.092703
-6.745351
2.902292
other
Ba3Sn1O1
5
221
166.57
mp-1186167
7.38395
8.448304
-2.765641
other
Na1Si1O3
5
221
45.17
mp-1099253
16.960348
9.366174
7.41128
other
Mg6Ni2O8
16
221
147.42
mp-1020645
9.305842
9.026157
0.259034
other
Na8N1O3
12
221
180.75
mp-981250
11.807556
8.643018
2.409273
other
Sm1Pu1O3
5
221
82.52
mp-19840
-9.177763
-1.681713
3.766276
original
Gd1B1Rh3
5
221
73.9
mp-1016932
7.891013
13.656322
-1.407245
other
Mn1Zn1O3
5
221
52.26
mp-10706
-6.107047
-0.762062
3.579818
other
Zr1Ru3C1
5
221
67.69
mp-998365
9.171232
0.900939
0.015351
other
Ni1Ag1F3
5
221
64.19
mp-1078915
9.192473
8.502087
1.97004
other
Ba3Ca1O4
8
221
164.46
mp-975207
6.849273
8.41785
-1.454661
other
Rb1Sm1O3
5
221
95.88
mp-1075904
5.642125
11.030511
-0.507627
other
Eu1Fe1O3
5
221
57.75
mp-1183242
7.458525
7.068216
-1.694293
other
B1Pd1O3
5
221
40.31
mp-978952
10.228842
9.311232
-0.06618
other
Sn1Pb1O3
5
221
70.33
mp-22513
-7.088429
-7.137196
6.847299
other
Dy3Tl1C1
5
221
176.87
mp-1183562
7.031283
8.452463
-0.607823
other
Ca1La1O3
5
221
91.41
mp-1239192
12.11921
9.609628
1.543459
other
La1Ta1O3
5
221
67.57
mp-1187783
12.176794
9.686279
1.566292
other
U1Tc1O3
5
221
62.44
mp-1016827
12.012803
8.481508
-0.719642
other
Mg1Ge1O3
5
221
51.4
mp-10712
-8.142403
-1.930199
2.968441
other
Sc1Rh3C1
5
221
67.65
mp-974511
12.109366
10.383377
0.366114
other
Re1Sb1O3
5
221
63.55
mp-976727
10.634923
8.854424
1.274006
other
Pr1Bi1O3
5
221
88.05
mp-1186101
6.793167
9.575406
-1.677685
other
Na1Ag1O3
5
221
69.55
mp-1186320
11.512547
8.944408
1.569841
other
Np1Hg1O3
5
221
77.69
mp-613402
7.447233
8.145283
-0.931075
other
Sr1Zr1O3
5
221
85.5
mp-554601
9.052285
0.334167
0.607179
other
Rb1Cu1F3
5
221
67.42
mp-1206990
-7.363997
-6.256736
5.900795
other
Sm3Sn1N1
5
221
118.85
mp-984240
7.018745
8.682739
-1.69632
other
Cs1Ca1O3
5
221
102.82
mp-976446
7.579889
12.517499
-0.632702
other
Mg1Mn1O3
5
221
52.13
mp-4405
7.439691
7.704729
-0.762134
other
Rb3Au1O1
5
221
167.22
mp-1184641
11.416214
9.667164
-0.555638
other
Ge1Te1O3
5
221
59.4
mp-1017581
-8.696897
-4.361947
2.254833
other
La1Pd3C1
5
221
84.31
mp-3846
-8.690177
-4.45916
2.30568
other
La1B1Pd3
5
221
86.2
mp-976722
6.760808
8.869651
-1.868555
other
Mg1Pb1O3
5
221
63.07
mp-1184325
6.819001
8.785635
-2.243705
other
Eu1Be1O3
5
221
48.34
mp-30055
-0.386948
2.079485
-4.149292
other
Rb3Br1O1
5
221
164.33
mp-1187321
7.234194
10.752754
1.154963
other
Tb1Cu1O3
5
221
54.14
mp-984051
7.835223
8.63302
-2.456003
other
Cs1Ge1O3
5
221
67.15
mp-1183631
7.313003
8.065867
-2.506291
other
Cd1B1O3
5
221
42.94
mp-1195280
-3.924823
-8.452035
6.933561
other
Mg64Si31Bi1
96
221
2,074.3
mp-984628
7.438132
8.333109
-2.499127
other
Ca1B1O3
5
221
42.13
mp-1185561
9.429837
9.517276
-1.198565
other
Cs1Sb1O3
5
221
73.82
mp-1206801
1.031147
2.199073
-5.786414
other
Rb1Eu1Cl3
5
221
180.92
mp-1017629
3.166581
-0.508853
-1.92821
other
Mg1Ni1H3
5
221
36.39
mp-1184073
6.961417
11.206353
-1.212119
other
Cu1Pd1O3
5
221
54.57
mp-1016884
10.971785
8.474177
0.639807
other
Ca1Ge1O3
5
221
54.15
mp-1187577
10.506715
10.995439
1.354642
other
Tm1Cr1O3
5
221
56.34
mp-19253
11.894977
10.566754
1.021337
other
Nd1V1O3
5
221
60.39
mp-1187576
7.368497
8.566126
-0.525401
other
Yb1Nd1O3
5
221
72.15
mp-505628
-4.993638
-0.231746
3.268809
other
Cr3Ir1N1
5
221
58.49
mp-29342
0.912301
1.741801
-4.693101
other
Ca3P1Cl3
7
221
184.17
mp-977152
12.36621
9.965138
1.807667
other
Np1Ti1O3
5
221
60.16
mp-1075921
6.796493
11.333138
1.034574
other
La1Ni1O3
5
221
57.38
mp-1018628
-8.013486
-3.338799
2.306525
other
Sc1Pt3C1
5
221
76.61
mp-1183159
6.824364
9.28665
-1.916666
other
Al1Au1O3
5
221
53.21
mp-1206402
-5.878516
0.188469
3.49002
other
Mn3Hg1N1
5
221
66.17
mp-1184157
7.168981
10.743124
1.057472
other
Er1Cu1O3
5
221
53.4
mp-1102981
7.839965
8.004561
-0.106795
other
Rb8Sb1O3
12
221
413.08
mp-1183823
10.162327
8.940114
2.061107
other
Dy1In1O3
5
221
70.02
mp-1076800
6.338242
10.590291
-0.150931
other
Ba1Cu1O3
5
221
64.18
mp-971996
7.279867
8.371778
-0.364993
other
Sr1Ho1O3
5
221
82.62
mp-1186216
12.462534
10.106992
1.546244
other
Nb1Bi1O3
5
221
69.41
mp-10135
-8.592895
-4.604707
2.20571
other
Yb1B1Pd3
5
221
78.51
mp-8396
8.198943
0.991678
1.78371
other
Cs1Eu1F3
5
221
108.52
mp-1184022
6.94645
8.438662
-1.468071
other
Cs1Sm1O3
5
221
100.86
mp-570290
1.526749
2.582636
-5.61209
other
Mn1Tl1Cl3
5
221
130.27
mp-1016850
7.524312
10.443898
0.555072
other
Ba1Rh1O3
5
221
68.64
mp-19818
-7.555642
-6.544125
6.455689
other
Dy3Pb1C1
5
221
117.15
mp-1017441
7.435051
10.451671
0.243773
other
Sr1Rh1O3
5
221
64.22
mp-33365
10.729003
9.262998
2.657418
other
Ce1Ga1O3
5
221
59.06
mp-20029
7.780402
11.625516
1.051266
other
Sr1Cr1O3
5
221
59.01
mp-981367
6.779073
9.51933
-0.768946
other
Sr1Tl1O3
5
221
78.38
mp-16297
-3.319562
-0.266049
3.224584
other
Sc3Sn1C1
5
221
92.98
mp-1210555
-6.073872
-0.850109
3.409357
other
Mn3Sn1H1
5
221
64.19
mp-977389
7.585972
10.537847
1.264867
other
Ce1Cu1O3
5
221
56.31
mp-10699
-8.3583
-1.85626
2.939022
original
Lu1Rh3C1
5
221
69.71
mp-1187862
12.594674
9.246699
0.680005
other
Y1Si1O3
5
221
51.62
mp-1232306
1.391996
2.194297
1.49724
other
Sc1Cu3N3
7
221
77.04
mp-1018627
-8.155812
-3.146761
2.457862
other
Sc1B1Pt3
5
221
77.43
mp-1013737
-4.467948
-6.051346
1.470331
other
Ba3Sb1P1
5
221
228.46
mp-755877
7.176229
8.355787
-0.34091
other
Ba1Nd1O3
5
221
94.62
mp-984554
7.017045
8.274516
-2.22987
other
B1Pb1O3
5
221
45.35
mp-1016927
10.484414
11.971499
1.864826
other
Ti1Zn1O3
5
221
56.76
mp-1210861
13.967838
7.179161
-0.775935
other
Na8Si24O48
80
221
1,734.75
mp-20922
-7.343416
-6.867689
7.043111
other
Dy3Ga1C1
5
221
148.94
mp-1016928
12.096503
8.339131
-0.081703
other
Mg1Si1O3
5
221
43.88
mp-754892
-0.281748
2.38507
-4.194917
other
Rb3Cl1O1
5
221
169.45
mp-977058
12.715029
9.363008
1.201291
other
Np1B1O3
5
221
45.7
mp-1184945
6.837514
8.440956
-1.6014
other
K1Y1O3
5
221
90.98
mp-1412687
11.697982
9.292126
1.043983
other
Y1Sn1O3
5
221
71.05
mp-1185889
6.748507
8.693937
-1.736655
other
Mg1In1O3
5
221
58.58
mp-1040469
11.940622
11.111259
-2.092921
other
K1Mo1O3
5
221
64.23
mp-10376
-4.644668
-0.093471
3.417534
other
Cr3Sn1N1
5
221
61.02
mp-1183570
6.96684
9.008116
-1.868541
other
Ca1Hg1O3
5
221
73.6