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-10700
-8.181503
-0.53092
2.25779
other
Mg1Ni3C1
5
221
54.16
mp-10708
-8.392059
-1.756015
3.160192
other
Pr1Rh3C1
5
221
75.22
mp-1187342
9.924545
8.408708
3.15636
other
Tb1Er1O3
5
221
76.75
mp-10279
-7.3895
-6.78566
6.832869
other
Ho3Ga1C1
5
221
146.73
mp-1013642
-4.45452
-5.657585
0.9921
other
Ca3As1P1
5
221
151.75
mp-1186395
11.296281
9.14607
2.974891
other
Pa1Hg1O3
5
221
81.91
mp-1099873
6.371494
10.842105
-0.433058
other
Ca1Cu1O3
5
221
55.03
mp-1184953
7.119452
8.627977
-1.884639
other
K1Yb1O3
5
221
90.08
mp-1183476
9.830733
11.077103
-1.056875
other
Be1Re1O3
5
221
41.22
mp-1187465
9.79072
10.782168
-0.475418
other
Ti1Be1O3
5
221
38.92
mp-1187797
6.574635
8.761427
-2.514879
other
Yb1Zn1O3
5
221
56.26
mp-1013710
-4.400382
-6.855124
1.966305
other
Ba3Bi1N1
5
221
288.8
mp-1183394
7.290747
8.401406
-0.525652
other
Ba1Tm1O3
5
221
83.69
mp-1017627
-7.420703
-6.168924
5.755595
other
Lu3Al1N1
5
221
97.54
mp-1184243
7.350255
9.22448
-1.003908
other
Ga1Sn1O3
5
221
58.06
mp-861873
11.500354
11.353558
2.789001
other
Ta1Tl1O3
5
221
68.06
mp-975322
5.625079
10.083075
-2.317331
other
Rb1Fe1O3
5
221
66.21
mp-1416093
8.571786
11.222962
1.193147
other
Y1Fe1O3
5
221
58.56
mp-5663
9.206533
8.681755
3.236125
other
Ba1Ce1O3
5
221
89.57
mp-20684
-6.920804
-6.733679
6.850761
other
Pr3Al1N1
5
221
174.43
mp-1213840
-8.406096
-4.605482
2.544133
other
Ce8Sn1Pd24
33
221
611.3
mp-19778
-7.009245
-6.946404
6.416938
other
Nd3Pb1N1
5
221
205.21
mp-1013564
-4.993793
-6.159013
0.962011
other
Sr3Bi1As1
5
221
203.3
mp-1186316
9.770992
8.837785
2.203266
other
Nd1In1O3
5
221
71.78
mp-5660
7.780255
10.299205
0.445158
other
Ba1Ir1O3
5
221
67.78
mp-1418444
7.357272
8.609459
-1.624815
other
Al1Ag1O3
5
221
64.18
mp-1184960
6.468477
8.756762
-2.216216
other
K1Mg1O3
5
221
70.33
mp-1187905
6.552845
8.517093
-2.550624
other
Yb1Be1O3
5
221
44.64
mp-9200
8.400019
8.605279
-0.439331
other
K3Au1O1
5
221
142.6
mp-1099252
14.092429
9.423889
3.673756
other
Mg3Sb1O4
8
221
97.71
mp-1185008
7.260732
8.475772
-1.335014
other
K1Ac1O3
5
221
100.81
mp-1206994
-7.117206
-6.16195
5.35692
other
La3Sn1N1
5
221
133.16
mp-1187488
11.787543
11.5671
0.333439
other
Ti1Te1O3
5
221
62.22
mp-1030636
14.217828
9.628175
3.395731
other
Mg3Ti1O4
8
221
80.27
mp-21244
-4.895179
-0.063615
3.257064
other
Cr3Rh1N1
5
221
55.72
mp-20385
-7.560113
-6.618281
6.460698
other
Nd3In1C1
5
221
135.1
mp-20808
-7.080329
-6.936331
6.880036
other
Nd3Pb1C1
5
221
204.2
mp-1207169
3.20167
-0.827033
-2.221673
other
Ca1H3Pd1
5
221
50.93
mp-1215073
-2.720163
-8.480368
1.226789
other
Ag12S1I1
14
221
7,286.14
mp-569898
-0.390671
0.462235
-3.133275
other
Ce3Ga1Br3
7
221
224.8
mp-1183142
7.257193
8.553294
-0.891853
other
Ac1Mg1O3
5
221
64.78
mp-557257
9.600907
2.675264
1.769183
other
K1V1F3
5
221
70.41
mp-1187347
7.040229
8.638478
-1.094313
other
Tb1Mg1O3
5
221
57.35
mp-1076711
6.284636
10.837373
-0.086561
other
Sr1Cu1O3
5
221
56.55
mp-975292
11.842628
11.095039
-2.021843
other
Rb1Mo1O3
5
221
66.57
mp-1184411
12.168862
10.683711
0.469285
other
Eu1Mo1O3
5
221
68.93
mp-1076706
6.960462
10.627384
1.195078
other
Sm1Cu1O3
5
221
55.27
mp-20530
10.700657
10.8684
1.602461
other
Ce1Cr1O3
5
221
59.62
mp-635460
-2.438395
-8.363368
2.123562
other
V3Au1N1
5
221
116.15
mp-971700
6.458622
9.243161
-2.302716
other
Zn1Au1O3
5
221
60.9
mp-1416557
7.79031
11.11131
-0.677985
other
Al1Ni1O3
5
221
49.01
mp-1187561
7.211896
8.732858
-2.352029
other
Yb1Ga1O3
5
221
56.52
mp-973648
5.669437
11.958805
-2.21716
other
Fe1Rh1O3
5
221
53.59
mp-1077622
7.040402
9.497343
-1.304877
other
Eu1Ag1O3
5
221
68.39
mp-1422819
10.088064
1.459486
2.021376
other
Mn1In1F3
5
221
79.86
mp-973919
12.038801
9.959194
1.312157
other
Np1Os1O3
5
221
63.21
mp-545783
6.233455
8.718854
-0.103142
other
Ba1Bi1O3
5
221
86.83
mp-1099668
6.989539
11.236391
0.946255
other
Sm1Ni1O3
5
221
52.32
mp-1080187
7.95089
13.91089
-1.580637
other
Mn1Hg1O3
5
221
58.71
mp-984756
6.6511
8.709945
-2.076109
other
Cs1Mg1O3
5
221
79.09
mp-1187485
12.44605
10.480681
0.245004
other
Yb1W1O3
5
221
65.56
mp-1184491
11.197873
8.835537
2.310245
other
Gd1Th1O3
5
221
96.63
mp-1185302
6.951159
8.21567
-2.975211
other
Li1B1O3
5
221
36.18
mp-21292
-7.244037
-7.052319
7.144568
other
Tm3In1C1
5
221
166.98
mp-5811
8.066321
0.772918
1.462477
other
Cs1Pb1F3
5
221
112.78
mp-1183176
6.847541
9.914308
-1.959666
other
Al1Ni1O3
5
221
48.94
mp-10611
-7.097291
-6.375715
5.932202
other
La3Pb1C1
5
221
143.81
mp-1183289
7.483387
8.388461
-0.858471
other
Ba1Sc1O3
5
221
75.14
mp-1017626
9.278483
1.255641
1.538817
other
Li1Ca1F3
5
221
53.21
mp-12572
-8.523203
-4.603479
2.113251
other
Ca1Pd3C1
5
221
78.49
mp-570822
-7.428959
-6.317623
6.790595
other
Tb3Al1C1
5
221
117.86
mp-975288
11.36413
8.621897
1.8394
other
Rb1Np1O3
5
221
79.8
mp-1434307
8.546
11.350332
1.740605
other
Y1Mn1O3
5
221
58.06
mp-1187352
7.246768
11.311128
0.840879
other
Tb1Ni1O3
5
221
52.26
mp-9415
-5.263786
-1.016669
-4.35019
other
Ba6Ni25S27
58
221
1,018.63
mp-20446
-7.835232
-3.305311
2.387118
other
Sn1Pt3C1
5
221
79.4
mp-1186662
8.597946
9.547903
0.020866
other
Pu1Ga1O3
5
221
58.11
mp-21206
-6.164792
-7.07137
4.506567
other
Yb3Ga1C1
5
221
123.33
mp-21031
-8.318411
-4.341804
1.601053
other
Pd3Pb1C1
5
221
79.45
mp-20702
11.981378
10.512324
0.940238
other
Sm1V1O3
5
221
59.51
mp-3136
10.574777
11.806081
3.287875
other
Na1Nb1O3
5
221
64.45
mp-1206991
-8.009604
-0.694266
2.29911
other
Ga1Ni3C1
5
221
53.82
mp-1024040
16.237175
9.807835
6.84928
other
Ba1Mg3O4
8
221
113.47
mp-1013557
-4.544375
-6.332511
1.789621
other
Ba3Sb1N1
5
221
173.14
mp-8074
12.351902
10.376786
1.774414
other
Ta1Sn1O3
5
221
67.55
mp-3614
10.522878
11.665751
3.411388
other
K1Ta1O3
5
221
63.75
mp-972978
12.175685
10.602232
0.508275
other
Sc1V1O3
5
221
54.28
mp-22263
-5.71112
-7.193654
4.019011
other
Yb3Sn1C1
5
221
206.93
mp-973958
7.528444
11.018826
0.041629
other
K1Ru1O3
5
221
61.13
mp-1186515
7.033172
10.615155
1.174694
other
Pr1Cu1O3
5
221
56.91
mp-1185203
6.591556
9.18092
-2.2645
other
Li1Cd1O3
5
221
53.23
mp-1188081
6.903183
11.75603
-0.217425
other
Pu1Ni1O3
5
221
53.9
mp-1245534
0.040334
1.931995
2.502193
other
Ta1V3N4
8
221
75.16
mp-975190
9.78145
9.360711
-1.880435
other
Rb1Te1O3
5
221
72.63
mp-976283
6.818476
8.680256
-1.667251
other
Li1Y1O3
5
221
50.12
mp-998307
-0.539122
1.519316
-4.789794
other
Cs1Pd1Br3
5
221
147.17
mp-973869
6.693064
9.058303
-0.554422
other
La1Cd1O3
5
221
73.05
mp-977117
10.174567
9.458003
-1.725483
other
Na1Te1O3
5
221
67.24
mp-1185357
6.630413
8.55254
-1.643712
other
Li1La1O3
5
221
55.86
mp-2930
-6.211862
-0.235462
3.53942
other
Mn3Zn1C1
5
221
58.21