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-1017439
11.208985
8.454155
0.591083
other
Sr1Si1O3
5
221
50.61
mp-23026
1.508586
2.746769
-5.853222
other
Cs1Au1Cl3
5
221
141.16
mp-23037
1.398546
2.591552
-5.803753
other
Cs1Pb1Cl3
5
221
183.24
mp-977123
7.524206
9.149652
-1.419534
other
Na1Ti1O3
5
221
59.43
mp-1206774
-5.548869
0.138544
3.212116
other
Mn3As1N1
5
221
56.01
mp-4563
-4.653428
-1.8663
3.502904
other
Ti3Tl1C1
5
221
76.45
mp-1209227
-0.279413
1.145293
-4.374913
other
Rb1Ca1Br3
5
221
188.79
mp-1095551
8.674374
8.630329
-0.007557
other
K8As1O3
12
221
328.96
mp-973471
11.359866
10.550298
0.444179
other
K1Re1O3
5
221
61.12
mp-973123
6.977028
8.944337
-2.162292
other
Sc1Pd1O3
5
221
67.86
mp-1184946
6.311421
8.823779
-2.377248
other
K1Zn1O3
5
221
68.35
mp-1186134
5.425095
9.960399
-2.501679
other
Na1Fe1O3
5
221
56.2
mp-20427
6.674496
11.332595
1.130977
other
Pr1Co1O3
5
221
55.69
mp-1185388
6.757212
8.740092
-1.557774
other
Li1Pm1O3
5
221
52.57
mp-19053
11.85413
10.519618
1.230873
other
La1V1O3
5
221
61.63
mp-862870
10.047636
10.990284
-0.686684
other
Li1Tc1O3
5
221
57.24
mp-1424898
10.70364
8.895494
1.035226
other
Y1Bi1O3
5
221
85.68
mp-1206777
-2.732241
-7.7401
1.472216
other
Mn3As1N1
5
221
110.81
mp-8558
11.494762
8.654995
2.025196
other
Ba1Np1O3
5
221
85.63
mp-1207078
3.051822
-0.644584
-1.94349
other
Ca1Ni1H3
5
221
43.03
mp-1186533
6.963319
8.501314
-1.570544
other
Pm1Be1O3
5
221
48.17
mp-28602
8.614942
9.260358
-0.242409
other
Na3Cl1O1
5
221
88.64
mp-7114
-7.155896
-6.825178
6.755248
other
Ho3Sn1C1
5
221
173.62
mp-1185414
7.735728
8.536813
-2.813808
other
Li1Si1O3
5
221
43.19
mp-866095
7.48976
11.15584
1.090651
other
Ce1Ni1O3
5
221
54.24
mp-1202732
-5.311456
-0.989688
-3.898635
other
Pd4Rh30S30
64
221
1,020.97
mp-20590
-6.964021
-6.521005
6.397038
other
La3In1B1
5
221
151.33
mp-998173
1.567933
2.803335
-5.441338
other
Rb1Pd1Cl3
5
221
121.12
mp-975291
6.853009
8.71738
-2.173404
other
Rb1Li1O3
5
221
73
mp-1187557
10.701159
8.709176
3.044081
other
Tm1Sc1O3
5
221
64.08
mp-1099591
10.007606
12.276193
-3.454264
other
Na1V1O3
5
221
53.75
mp-1185488
10.744815
8.865262
1.685349
other
Lu1Ga1O3
5
221
53.44
mp-1013708
-4.41518
-6.917825
2.002611
other
Ba3Sb1N1
5
221
277.17
mp-1212057
-8.05759
-2.74443
5.728809
other
Ho3Ga9Os3
15
221
258.11
mp-1079788
9.475686
8.772695
1.785968
other
Sr4S1O3
8
221
165.07
mp-8370
-7.802559
-0.705432
2.24257
other
Ni3Ge1C1
5
221
55.25
mp-19758
-7.154981
-7.068607
6.983061
other
Sm3Pb1C1
5
221
195.9
mp-981313
6.886047
8.464404
-1.51081
other
K1Tb1O3
5
221
90.81
mp-10037
-7.434947
0.129303
3.310652
other
Al1Co3C1
5
221
51.6
mp-1016823
9.70506
8.705145
0.925313
other
Ba1Ge1O3
5
221
63.06
mp-29677
-7.557145
-6.374091
6.685571
other
Ho3Al1C1
5
221
113.25
mp-1184936
6.429865
8.609451
-2.573295
other
K1Al1O3
5
221
57.83
mp-1184773
8.907875
10.213911
-1.383335
other
In1Pt1O3
5
221
65.44
mp-1183983
6.522381
11.954247
-1.389303
other
Ga1Ni1O3
5
221
49.48
mp-23737
3.344628
-0.620902
-2.455956
other
K1Mg1H3
5
221
63.43
mp-1186884
6.53595
8.765693
-2.113589
other
Rb1Mg1O3
5
221
73.81
mp-1184383
7.27553
9.908367
-1.085324
other
Eu1Au1O3
5
221
69.4
mp-972367
11.612272
8.79301
1.971847
other
U1Al1O3
5
221
53.44
mp-1184941
6.860735
8.497195
-1.571383
other
K1Lu1O3
5
221
83.78
mp-973068
7.615308
10.875055
0.590961
other
Sc1Cu1O3
5
221
51.85
mp-10608
-7.303848
-6.189497
6.32668
other
Y3Sn1C1
5
221
116.71
mp-29101
-8.367813
-4.612642
2.461599
other
Ce8Sb1Pd24
33
221
614.48
mp-18717
11.032916
11.880933
0.344963
other
Sr1V1O3
5
221
59.36
mp-1018646
3.061336
-0.85351
-2.147706
other
Yb1H3Pd1
5
221
50.6
mp-1187481
6.447855
9.10705
-2.048573
other
Tl1Ga1O3
5
221
59.72
mp-1206753
12.262226
9.283862
1.867687
other
Al1Fe3O1
5
221
69.61
mp-10060
-8.702561
-4.487329
2.205284
other
Dy1B1Pd3
5
221
80.6
mp-975405
7.149358
9.987707
-1.392947
other
Rb1Au1O3
5
221
75.01
mp-1206878
-7.426623
-6.220407
6.563951
other
Tb3Ga1C1
5
221
115.6
mp-1183291
7.231833
8.376362
-0.480593
other
Ba1Er1O3
5
221
84.92
mp-1020625
1.89131
2.472405
0.423002
other
Rb8N3O1
12
221
359.34
mp-1184400
12.387556
10.475006
0.33834
other
Eu1W1O3
5
221
68.93
mp-1018645
-8.096405
-3.374434
2.421706
other
Y1Pt3C1
5
221
80.87
mp-1183212
7.489739
7.286876
-1.869795
other
B1Au1O3
5
221
42.75
mp-1186324
12.177638
9.625607
1.563675
other
Nd1Ta1O3
5
221
66.58
mp-1183692
8.168956
13.104198
-1.348063
other
Co1Sn1O3
5
221
52.43
mp-627439
-5.424848
0.236722
3.249048
other
Mn3Ga1N1
5
221
63.77
mp-1016831
8.48743
10.643282
-0.68934
other
Hg1Ir1O3
5
221
62.43
mp-1183052
10.68633
8.562043
0.786066
other
Ac1B1O3
5
221
51.55
mp-973968
7.021533
8.624805
-2.242155
other
K1Na1O3
5
221
87.51
mp-19944
-5.500589
-6.885094
3.114748
other
Sr3Pb1O1
5
221
138.39
mp-1076368
5.756195
11.416162
-1.612937
other
Mg1Fe1O3
5
221
53.41
mp-2929
7.168163
8.35544
-0.658506
other
Ba1Tb1O3
5
221
88.22
mp-998762
9.805504
0.842861
1.549901
other
Mn1Tl1F3
5
221
75.96
mp-22350
-6.984145
-6.816582
6.49656
other
Nd3Sn1N1
5
221
198.62
mp-20951
6.875549
11.422749
1.02934
other
Gd1Co1O3
5
221
54.94
mp-1099254
17.062014
9.424478
7.100925
other
Mg3Co1O4
8
221
76.94
mp-1402304
12.318426
9.90439
0.716268
other
Y1W1O3
5
221
69.09
mp-1213642
1.066226
2.213139
-5.857354
other
Cs1Sr1Cl3
5
221
182.56
mp-1013706
-5.217906
-6.417544
1.024801
other
Sr3Bi1Sb1
5
221
240.28
mp-1102163
10.189081
11.209855
0.239291
other
Li8As1O3
12
221
132.16
mp-975361
6.885126
8.496176
-1.562209
other
Rb1Er1O3
5
221
90.78
mp-1080799
8.468528
1.841901
-1.1518
other
Cu1N1F3
5
221
58.76
mp-972184
11.260642
12.687312
-2.02609
other
V1Pt1O3
5
221
55.45
mp-1184164
10.865524
8.722574
1.763474
other
Er1Ga1O3
5
221
54.09
mp-1213745
8.795622
1.5618
-1.049383
other
Co1N1F3
5
221
53.49
mp-1183211
8.320016
7.231836
-1.857169
other
B1Sb1O3
5
221
43.64
mp-5200
-9.275956
-1.785715
3.803702
other
Pr1B1Rh3
5
221
76.56
mp-977370
9.615428
10.696969
0.879967
other
Eu1Os1O3
5
221
63.46
mp-1013738
-4.735697
-5.900726
0.787119
other
Ca3Sb1As1
5
221
190.11
mp-1183145
8.75785
9.668283
0.777532
other
Ac1Pd1O3
5
221
66.69
mp-672229
-2.584406
-7.940372
1.66791
other
Mn3Zn1C1
5
221
96.87
mp-5566
9.214455
0.483645
0.62382
other
K2Cu2F6
10
221
127.65
mp-1069166
8.757123
1.85304
-0.820399
other
Mn1N1F3
5
221
63.19
mp-972066
12.451205
9.553764
1.962004
other
Zr1Al1O3
5
221
49.52
mp-541376
-5.312545
-0.958075
-3.882929
other
Ba6Co25S27
58
221
995.88
mp-1206983
-7.524367
-6.472908
6.337196
other
Ho3Pb1C1
5
221
115.04
mp-976848
8.366872
10.873156
-0.846726
other
Ni1Ru1O3
5
221
51.38
mp-1183532
6.641012
8.690646
-1.87469
other
Ca1Mg1O3
5
221
61.4
mp-1188026
12.26975
9.097383
0.60291
other
Zr1B1O3
5
221
41