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-20388
-6.998271
-7.12405
6.757036
other
Pr3Pb1C1
5
221
208.53
mp-2695837
8.188298
0.699996
0.932164
other
Cs1Tl1F3
5
221
109.88
mp-1183134
10.927205
9.906428
0.172141
other
Al1Sb1O3
5
221
52.9
mp-1186757
6.428019
8.813254
-2.239273
other
Sr1Zn1O3
5
221
63.05
mp-1186401
12.388823
9.411058
1.451182
other
Pa1Si1O3
5
221
55.78
mp-28069
0.974393
1.825517
-5.07789
other
Ca3As1Cl3
7
221
190.72
mp-864606
7.113716
10.569923
1.103491
other
Ac1Cu1O3
5
221
59.93
mp-1183426
6.355993
8.740943
-2.786184
other
Be1Cu1O3
5
221
41.49
mp-1183397
7.863268
6.627031
-1.959499
other
Co1B1O3
5
221
37.76
mp-1184948
6.033791
11.518884
-1.19696
other
K1Mn1O3
5
221
61.92
mp-976331
6.809046
8.749788
-1.661204
other
Li1Lu1O3
5
221
47.82
mp-19845
10.507577
11.175708
2.247475
other
Ti1Pb1O3
5
221
62.53
mp-3717
-9.107031
-1.880872
3.894265
other
Lu1B1Rh3
5
221
70.83
mp-972827
12.503848
9.577831
0.403904
other
Si1Bi1O3
5
221
54.81
mp-975216
11.381726
10.520925
0.313954
other
Rb1Re1O3
5
221
63.24
mp-1187570
7.48353
9.801437
-1.491547
other
Yb1Pd1O3
5
221
60.87
mp-1183436
7.325842
8.810707
-2.171082
other
Be1In1O3
5
221
44.99
mp-7144
-7.532131
-6.627862
6.890268
other
Sm3Al1C1
5
221
126.24
mp-4126
11.522576
8.810438
1.932186
other
K1U1O3
5
221
79.44
mp-1102998
9.23466
9.035729
-0.070402
other
Na8As1O3
12
221
216.69
mp-1102773
8.60059
8.636261
-0.1446
other
K8Bi1O3
12
221
357.48
mp-10607
-7.70846
-6.565541
6.372831
other
Lu3Tl1C1
5
221
106.91
mp-1433326
7.081705
11.401502
0.798212
other
Y1Ni1O3
5
221
53.03
mp-972822
8.827646
6.417807
-1.407012
other
Si1B1O3
5
221
37.13
mp-10732
1.817033
1.861281
2.160421
other
Th1Ta1N3
5
221
67.14
mp-1185552
10.606232
11.442944
3.060495
other
Cs1Ta1O3
5
221
71.17
mp-560976
9.145905
0.610937
0.556777
other
K1Ni1F3
5
221
64.39
mp-1070440
11.388443
12.106321
-1.282127
other
V1Pb1O3
5
221
60.82
mp-1189147
-8.005691
-1.55351
2.644057
other
Mn3Ga4Ni9
16
221
192.07
mp-1099257
13.182309
8.585895
4.681186
other
K1Mg3O4
8
221
93.59
mp-10061
-8.713331
-4.500005
2.210884
other
Er1B1Pd3
5
221
79.77
mp-570008
-5.305232
-6.431916
1.58285
other
Sr3Bi1N1
5
221
143.46
mp-10280
-7.145749
-6.859725
7.009964
other
Nd3Ga1C1
5
221
166.64
mp-1184150
10.78598
8.57163
2.556763
other
Er1Al1O3
5
221
50.47
mp-1184965
6.631773
8.974762
-1.227836
other
La1Zn1O3
5
221
60.61
mp-1013707
-3.935219
-6.180866
2.070689
other
Ba3P1N1
5
221
222.55
mp-975387
7.076522
8.65695
-1.534662
other
Rb1Ba1O3
5
221
124.64
mp-1183926
6.964861
8.629696
-1.624012
other
Cs1Rb1O3
5
221
94.8
mp-31157
-5.200119
-7.111023
2.632166
other
Ca3Sb1N1
5
221
190.84
mp-1013586
-4.293903
-5.942889
1.511068
other
Ba3As1P1
5
221
223.75
mp-556891
9.734507
1.654816
2.05349
other
K1Fe1F3
5
221
72.27
mp-19716
-7.315048
-6.364448
6.030108
other
Sm3In1N1
5
221
120.76
mp-1187924
7.271649
9.666727
-1.502429
other
Yb1Au1O3
5
221
66.29
mp-1110791
1.437872
2.616303
-5.771433
other
Rb1Au1Cl3
5
221
137.67
mp-510382
-2.072819
-8.320085
1.862358
other
Fe3Pt1N1
5
221
103.22
mp-21043
8.030554
0.813946
1.475765
other
Rb1Pb1F3
5
221
114.91
mp-1013703
-5.033382
-6.166062
0.978977
other
Ca3Bi1As1
5
221
199.18
mp-998739
8.734789
1.050136
1.739743
other
Mg1Tl1F3
5
221
67.75
mp-975913
12.273615
9.787283
1.850887
other
Pr1Nb1O3
5
221
68.26
mp-1020020
8.36121
11.179219
-0.563478
other
Li8N1O3
12
221
104.51
mp-1184359
6.946125
8.86575
-1.703612
other
Eu1Hg1O3
5
221
76.24
mp-1185404
6.672396
8.588149
-1.652804
other
Li1Pr1O3
5
221
54.48
mp-1095176
3.346022
-0.871435
-2.379235
other
Rb3Na1H4
8
221
199.59
mp-1183443
8.518538
9.484918
-1.089013
other
Be1Sb1O3
5
221
45.78
mp-1016880
8.334503
10.765037
-0.5859
other
Zn1Rh1O3
5
221
58.92
mp-980058
6.891916
8.481535
-1.518816
other
Rb1Tb1O3
5
221
93.27
mp-1112174
-0.514059
1.326759
-4.470764
other
K1Au1Br3
5
221
158.64
mp-23949
3.380218
-0.698227
-2.510761
other
Rb1Ca1H3
5
221
92.41
mp-1187065
11.604877
9.076744
-0.543821
other
Sn1Ge1O3
5
221
57.7
mp-1016837
9.012836
9.450437
-0.963686
other
Sn1Hg1O3
5
221
67.99
mp-1016938
11.588626
12.992074
-2.287201
other
V1Hg1O3
5
221
57.71
mp-1013716
-4.594785
-6.298528
1.360815
other
Ba3Bi1As1
5
221
281.49
mp-7961
-5.451425
-6.653162
3.133307
other
Sr3Sn1O1
5
221
136.74
mp-1096764
-4.478058
-5.927931
0.97931
other
Ca3Sb1P1
5
221
188.75
mp-1013540
-5.158272
-7.065678
2.923013
other
Ca3P1N1
5
221
148.04
mp-1187556
12.143023
9.685004
1.127529
other
Th1Re1O3
5
221
64.08
mp-1183534
7.528739
8.380953
-1.047832
other
Ca1Sc1O3
5
221
68.15
mp-1187389
12.122148
10.480691
0.787878
other
Tb1V1O3
5
221
56.75
mp-984454
6.889555
8.802748
-2.07558
other
K1Tl1O3
5
221
85.8
mp-1183169
6.919733
8.718288
-2.521089
other
Al1Ag1O3
5
221
52.78
mp-975427
6.552774
8.668037
-2.562869
other
Rb1Al1O3
5
221
61.35
mp-976293
6.684425
8.73826
-2.021145
other
Na1Cd1O3
5
221
77.13
mp-975596
11.218722
9.189433
1.822083
other
Pu1Ir1O3
5
221
70.67
mp-558189
-1.644059
0.833172
-5.132431
other
Ag3S1I1
5
221
125.72
mp-975364
6.341722
10.417317
-1.594977
other
Rb1Cu1O3
5
221
66.24
mp-998196
-0.506605
1.249
-4.677007
other
Rb1Cu1Br3
5
221
136.14
mp-1103943
-8.178033
-2.771363
5.535377
other
Er3Ga9Ru3
15
221
255.62
mp-3869
-9.14947
-1.698395
3.770751
other
Tb1B1Rh3
5
221
72.99
mp-1183194
8.117942
6.212118
-1.914596
other
B1Te1O3
5
221
44.47
mp-1185313
6.656428
8.585019
-2.549043
other
Li1Al1O3
5
221
51.03
mp-1184964
7.008424
8.592607
-1.156085
other
La1Mg1O3
5
221
61.43
mp-21854
-7.180776
-7.031391
6.852105
other
Nd3Tl1C1
5
221
197.71
mp-30056
-0.29208
1.172555
-4.56218
other
Cs1Ca1Br3
5
221
186.04
mp-975564
12.245063
9.376751
1.226715
other
Pu1B1O3
5
221
45.23
mp-1208951
8.342169
1.854904
-0.675118
other
Sr4Au8F48
60
221
1,061.86
mp-1111644
8.32044
0.722835
0.6194
other
Rb1Au1F3
5
221
92
mp-1206138
-6.211094
-6.835632
4.028241
other
Yb3Pb1C1
5
221
125.41
mp-1185545
6.286862
8.85246
-1.946048
other
Cs1Pb1O3
5
221
89.95
mp-8401
8.360915
0.544552
1.672735
other
Cs1Mg1F3
5
221
76.89
mp-1196681
-4.990902
-1.08374
-4.079329
other
Ba6Fe25S27
58
221
946.99
mp-1184353
7.388708
8.646985
-0.175607
other
Eu1Tm1O3
5
221
77.77
mp-1184032
5.839418
10.258143
-1.881784
other
Ga1Fe1O3
5
221
54.21
mp-1183929
7.024497
8.607019
-1.8176
other
Cs1Na1O3
5
221
88.02
mp-984082
6.912293
8.491465
-1.390772
other
Cs1Gd1O3
5
221
93.91
mp-21910
-7.071108
-6.635681
6.707841
other
Nd3Al1N1
5
221
170.03
mp-1186797
8.441694
9.165298
0.822919
other
Pu1In1O3
5
221
71.4
mp-1016926
8.806769
10.606366
-0.654486
other
Zn1Ir1O3
5
221
59.64
mp-1187448
12.319563
9.723517
0.962009
other
Th1W1O3
5
221
70.7
mp-1184042
7.513534
7.594529
-2.012742
other
Cu1B1O3
5
221
37.63
mp-8557
11.51388
8.975718
2.422077
other
Ba1Pa1O3
5
221
90.75