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-1216356
-9.246165
-1.258624
2.904219
other
Y4Zr1Ni25
30
65
402.82
mp-675580
11.258047
12.521366
0.929888
other
Nb4Cr4O16
24
65
273.25
mp-1192200
-7.667653
-5.743259
5.097404
other
Ce11In9Ni4
24
65
579.96
mp-690490
11.457912
13.339423
-2.005808
other
Ti4V4O16
24
65
252.34
mp-1215094
-3.876092
-2.330745
-3.151784
other
Ag1As3Se6
10
65
5,063.2
mp-1215204
12.310091
9.104067
2.594399
other
Zr1Ti2O1
4
65
59.25
mp-1237725
-4.943912
-3.826227
0.145293
other
U2Te2P2
6
65
163.99
mp-998361
-3.28497
-1.988319
-4.973863
other
Ba1Hf1S3
5
65
118.64
mp-1173111
10.003127
11.673936
0.337455
other
Ta1Rh1O4
6
65
69.37
mp-1095452
-7.029742
-2.381001
5.22634
other
U3Fe2Ge7
12
65
217.41
mp-754245
5.744328
15.123436
-1.323354
other
Li3Mn1O4
8
65
69.71
mp-1217356
-9.065786
-0.673854
3.706763
other
Th1Co2Ni3
6
65
84.79
mp-1079605
-7.26379
-5.455202
3.43012
other
Dy2Ni1Sn6
9
65
216.1
mp-1219981
-4.889064
-4.556562
5.984161
other
Pr3Si2C2
7
65
152.23
mp-1192974
-8.062159
-6.583327
5.957799
other
Gd11In9Ni4
24
65
587.94
mp-1178876
8.3427
6.776419
-4.453248
other
U2Si2O14
18
65
411.4
mp-28516
-6.98175
-1.835309
5.71483
other
Lu6Mn6Ge12
24
65
406.15
mp-1226637
-8.291272
-6.619373
3.72311
other
Ce1Al2Ag3
6
65
119.01
mp-1212378
6.669126
5.955487
-3.48549
other
Li3Co1O6
10
65
1,560.72
mp-27661
2.529121
2.544242
-4.23308
original
U2Cl5O2
9
65
239.94
mp-753633
8.580413
11.984443
-1.396166
other
Cr1Ir1O4
6
65
61.2
mp-1226239
11.62981
11.745645
-0.802661
other
Cr2Re2O8
12
65
130.53
mp-1207718
-7.417757
-5.224242
3.09206
other
Tm2Ni2Sn8
12
65
277.95
mp-774172
11.557705
-0.170274
1.459693
other
Mn6O2F10
18
65
233.75
mp-1217588
-9.062097
-0.547012
3.782611
other
Tb1Co2Ni3
6
65
81.64
mp-19238
7.838967
11.044808
-0.766118
other
Co4Pt12O24
40
65
447.8
mp-1173190
1.049781
1.582912
-5.119292
other
Sr9Th1Cl22
32
65
879.17
mp-1207281
-3.28213
-1.594024
-4.071756
other
Na1Sm3S6
10
65
4,833.2
mp-755506
12.052477
-0.727007
1.067075
other
Mn8O4F12
24
65
303.37
mp-25232
7.243095
10.197482
1.612444
other
La4Co1O8
13
65
181.49
mp-1217301
-7.958556
-0.967005
4.878541
other
Th1Al2Co3
6
65
91.5
mp-755325
10.163227
1.585336
-1.957419
other
Co2O2F2
6
65
65.7
mp-4564
12.979092
10.366798
2.330548
other
Ba4Nb14O23
41
65
552.19
mp-569759
-8.869746
-1.593068
3.968648
other
Zn5B4Rh8
17
65
209.62
mp-1224779
-8.939632
-1.67126
2.836424
other
Gd1Al1Ni4
6
65
83.56
mp-1207146
-7.970264
-5.625595
5.753892
other
La2Cd1Ni2
5
65
114.84
mp-1212351
6.709441
6.101599
-3.208362
other
Na3Cr1O6
10
65
1,887.37
mp-1215084
-4.405444
-4.84925
-1.340634
other
Ag3Sb1Te6
10
65
6,014.87
mp-1190673
-8.716033
-0.754024
2.574443
other
Dy4Ni13C4
21
65
271.45
mp-1078838
2.853311
-0.342444
-1.725743
other
Ti2Fe2H4
8
65
72.13
mp-759488
12.272064
11.183651
-1.544794
other
W3O7F1
11
65
137.84
mp-1218367
-3.208121
-2.083369
-5.398659
other
Sr3Ca1S4
8
65
212.47
mp-643945
2.942495
-0.135666
-1.604174
other
Ti2Fe2H4
8
65
60.07
mp-754261
7.286304
10.267186
1.755202
other
La16Fe4O32
52
65
741.24
mp-1102291
10.022799
9.472695
3.16204
other
La3Ta1O7
11
65
168.69
mp-765970
10.173737
10.860318
0.88815
other
Ti3Sn7O20
30
65
361.73
mp-1068024
-8.303459
-5.066243
5.703362
other
Ho2In1Ni2
5
65
99.22
mp-753823
10.052389
8.77162
3.241052
other
Ce1Th3O8
12
65
172.12
mp-1070631
-8.132209
-5.464541
5.933356
other
Sm2In1Ni2
5
65
106.26
mp-1077126
-8.669331
-1.62497
2.949508
other
Dy1Si1Ni4
6
65
79.29
mp-1220204
-9.413245
-1.398808
2.944527
other
Nd1Cu1Ni4
6
65
83.12
mp-648086
-8.076308
-3.777435
5.666474
other
Gd2Ga4Co2
8
65
144.34
mp-776150
7.044008
9.536643
-1.391872
other
Sc2Ag2O6
10
65
132.01
mp-722666
2.436825
2.740077
-3.676397
other
Cd1N2Cl2
5
65
134.76
mp-1207249
-4.446226
-4.829075
-1.016781
other
Sm3Tl1Te6
10
65
7,805.93
mp-865141
-8.746216
-0.803857
2.544262
other
Lu4Ni13C4
21
65
257.69
mp-1216649
10.547096
11.987609
1.708366
other
Ti1Sn1O4
6
65
69.9
mp-1217581
-9.014606
-1.673364
2.925329
other
Tb1Al1Ni4
6
65
82.77
mp-756340
11.23125
12.258347
1.39009
other
Ta2Cr2O8
12
65
135.41
mp-27609
-5.2384
-2.843647
5.290131
other
U3Fe2Si7
12
65
196.96
mp-1220430
12.672798
10.742529
0.167447
other
Nb1Mo1O4
6
65
71.37
mp-1206624
-8.173637
-5.466497
5.841165
other
Sm2Cd1Ni2
5
65
105.83
mp-752843
9.872855
0.358984
0.686718
other
Li2Cu1F4
7
65
76.2
mp-1025536
-7.98249
-4.532896
5.257173
other
Pr2Ga4Ni2
8
65
153.08
mp-1072537
-8.696926
-1.708472
2.904604
other
Ce1Si1Ni4
6
65
81.18
mp-510126
-7.456631
-5.222006
3.502129
other
Ce3Ni2Sn7
12
65
287.58
mp-1282494
11.245263
10.329021
1.259198
other
Sr4Cr4O8
16
65
230.25
mp-569496
-6.027072
-4.660918
3.929794
other
Ce1Si2Au4
7
65
131.56
mp-1225549
-9.113042
-4.420387
4.599876
other
La1Al2Cu3
6
65
100.68
mp-1226540
-3.759186
1.800833
2.956455
other
Ce2U2B16
20
65
202.64
mp-504613
-4.889335
-3.945365
5.781805
other
Ce3Si8Ni2
13
65
223.3
mp-676861
10.582591
9.943089
0.079588
other
Al1Sb1O4
6
65
61.01
mp-1213656
-4.528977
-4.737961
-1.090983
other
Ho1Tl3Te6
10
65
9,569.43
mp-510050
-8.089272
-4.862407
3.382317
other
Dy2In16Pt7
25
65
560.98
mp-755863
5.881456
12.433109
-2.433081
other
Fe6O8F4
18
65
202.26
mp-755287
9.376314
8.71515
1.726715
other
Ca3Cd1O4
8
65
109.18
mp-29896
-2.942364
1.017935
2.803179
other
Y2B3C2
7
65
84.7
mp-1217405
-8.185853
0.199134
4.89145
other
Th1Fe2Co3
6
65
86.61
mp-1101448
12.428112
12.429701
-0.325135
other
Nb2V2O8
12
65
134.53
mp-23361
1.526103
2.399717
-5.336645
other
Li5Cr1Cl8
14
65
262.63
mp-1207372
6.823298
7.451362
-2.330839
other
Rb1Er3O6
10
65
3,898.69
mp-1207296
-3.171322
-1.478813
-4.280898
other
Li1Ho3S6
10
65
3,455.72
mp-758324
11.623039
12.05242
2.079327
other
Ti10Nb4O28
42
65
471.61
mp-1206274
6.847995
7.644703
-2.275891
other
K1Nd3O6
10
65
3,706.21
mp-669645
-8.294187
-5.560142
4.922406
other
Nd5In11Ni6
22
65
474.85
mp-1220177
-9.052464
-1.703918
2.896048
other
Nd1Al1Ni4
6
65
85.87
mp-1095659
-3.523826
1.66557
2.934853
other
Yb2Al2B8
12
65
121.1
mp-1205748
-7.351961
-3.934024
4.848856
other
Ce2Ni2Ge6
10
65
188.94
mp-28767
-2.613579
0.414545
2.416942
other
Sc5Re2C7
14
65
171.64
mp-530412
12.199916
11.094607
-1.236332
other
Na17W20O60
97
65
1,242.63
mp-1025309
-5.379873
-1.186264
4.078554
other
Pr1Re4Si2
7
65
121.75
mp-570630
-8.093714
-4.870679
3.393197
other
Tb2In16Pt7
25
65
559.53
mp-753675
10.206384
2.7184
1.751389
other
Li2V2F8
12
65
128.07
mp-1087235
-7.514649
-3.470937
4.857526
other
Tb2Ni2Ge6
10
65
178.84
mp-675172
10.992509
11.464089
2.575095
other
Ta1Al1O4
6
65
63.75
mp-5938
7.410098
9.803403
0.767886
other
Sr1Cu2O3
6
65
79.18
mp-569523
-8.104497
-5.250727
5.742676
other
Y2In1Ni2
5
65
101.53
mp-1246338
0.594119
2.559293
1.725195
other
Na2Fe2N2
6
65
89.49
mp-1226887
-9.416473
-4.667319
4.276846
other
Ce1Al1Cu4
6
65
93.62
mp-642332
-8.123779
-6.434211
5.55356
other
Nd11In9Pd4
24
65
657.41