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-21251
-7.805437
-4.016451
5.068933
other
U1Ga5Ni1
7
123
121.5
mp-1224508
-6.405609
-0.994532
3.825378
other
Hf4Ru12C3
19
123
266.26
mp-1222286
-2.638419
-2.698058
-5.792666
other
Li1Er1S2
4
123
79.56
mp-1219671
1.399096
1.112733
2.443333
other
Pu1U1N2
4
123
57.59
mp-1227084
-2.574371
-2.905237
-5.184835
other
Ca1Gd1S2
4
123
89.34
mp-1225506
-7.463386
-5.841486
3.383444
other
Er1Ag1Sn2
4
123
92.08
mp-865500
10.172497
9.994523
3.60735
other
Na2Hf2O5
9
123
124.01
mp-629397
-0.100452
2.551534
1.90044
other
Fe1Ni1N1
3
123
29.29
mp-1206248
-6.309424
-5.158634
3.83551
other
Nd2Ge3Ir3
8
123
172.36
mp-1209707
11.669066
8.843554
2.546373
other
Pu2O1F1
4
123
105.52
mp-1224993
-7.782874
-1.503997
3.042102
other
Fe1Co1Pt2
4
123
52.21
mp-1209808
-5.649341
-4.822796
3.109462
other
Np2I2O1
5
123
212.25
mp-19989
-7.987309
-5.624979
4.660339
other
Ce2In8Co1
11
123
264.99
mp-1219943
-3.551862
-2.415976
-5.224556
other
Pb2Se1S1
4
123
112.5
mp-1215890
2.269775
1.676637
1.915176
other
Y1Th1N2
4
123
64.45
mp-1025229
-7.911002
-3.227885
5.121566
other
Ti1Ga5Co1
7
123
104.55
mp-1216199
-9.046091
-1.89457
3.798631
other
Y5B4Rh15
24
123
367.28
mp-1222424
-6.523454
-7.39415
2.960925
other
Li3Tl2Cd1
6
123
116.79
mp-753581
11.068224
8.667404
2.398065
other
La1U1O4
6
123
83.38
mp-1207353
-2.91577
-8.14046
1.405085
other
Er2Cu1Sb3
6
123
4,815.87
mp-1102778
-8.022519
-5.825871
4.655123
other
Dy2In8Co1
11
123
258.96
mp-1218003
-7.946344
-1.509518
2.556922
other
Ta1Al2Ni9
12
123
135.17
mp-1206792
0.684577
1.607505
-3.225981
other
Yb2I2F1
5
123
328.45
mp-1187277
10.671562
8.505032
2.698255
other
Tb2Y2O5
9
123
150.82
mp-1207211
0.096931
2.575308
-3.805674
other
Tl2S1I2
5
123
425.97
mp-1228056
-3.375726
1.703427
2.907806
other
Ba3Na1B24
28
123
307.36
mp-20294
-8.017564
-5.302649
4.293468
other
Ce1In5Rh1
7
123
166.16
mp-1232324
7.60035
10.168121
-1.40347
other
Cd1Pd2O3
6
123
90.38
mp-1224331
-6.046586
-3.842152
4.031636
other
Hf4Ag1Pd1
6
123
118.4
mp-1221641
-5.947765
-1.408704
4.625277
other
Mn1Fe3Si8
12
123
151.6
mp-1210387
-5.450522
-6.344589
3.326514
other
Na2Al1Ge2
5
123
118.84
mp-1183253
7.04896
11.115768
0.941349
other
Ba4Fe4O10
18
123
257.96
mp-1186924
12.459484
10.43017
0.25246
other
Re2Rh2O5
9
123
103.22
mp-1225365
-8.569956
-4.907514
2.400825
other
Eu2B1Pd6
9
123
152.54
mp-1221676
-6.089408
-3.168735
-2.183967
other
Mn1Cd1Te2
4
123
107.67
mp-1218985
-3.540275
1.769272
2.981881
other
Sm1Gd1B12
14
123
138.53
mp-973920
12.473701
9.576571
1.762968
other
Lu2Ta2O5
9
123
117.41
mp-1221746
-7.83369
-5.716735
2.530091
other
Mn4Hg3Au1
8
123
143.72
mp-1207189
0.790471
1.407177
-3.403415
other
Y2Br2O1
5
123
227.4
mp-1229085
-6.076979
-3.597317
-2.053581
other
Ag1Bi1Te2
4
123
121.28
mp-1227299
-7.344732
-1.056439
3.274441
other
Be1Co2Ge1
4
123
41.84
mp-1206897
-3.775594
-3.064715
-3.088672
other
Pr2Se2F1
5
123
148.73
mp-1103195
-8.019361
-5.853714
4.454278
other
Sm2In8Pd1
11
123
266.6
mp-1147649
3.062788
-0.522215
-1.774882
other
Li1Ni1H2
4
123
28.92
mp-1120791
6.694902
10.420671
-0.912584
other
Na1Cu1O2
4
123
47.01
mp-1078098
-7.669712
-3.752173
5.489001
other
U1Ga5Fe1
7
123
122.44
mp-2228926
11.827892
11.288342
-2.153478
other
Mg1W4O12
17
123
235.71
mp-996990
7.041471
9.402601
-0.257859
other
Ba1Ag1O2
4
123
67.85
mp-1023227
-7.392611
-10.191087
6.637434
other
Ca1Hf1Mg6
8
123
192.95
mp-1215438
-9.248653
-3.124018
3.141954
other
Zn2Cu1Ni1
4
123
48.21
mp-570863
-7.661397
-1.833175
2.865938
other
Cr1Co1Pt2
4
123
55.82
mp-1228905
-7.018782
-0.673187
4.40862
other
Al2Fe1Co1
4
123
46.19
mp-1103614
-7.959375
-5.503334
4.456024
other
Ce2In8Pt1
11
123
272.82
mp-1225725
1.491103
2.165486
1.053988
other
Cu6Pd1N2
9
123
113.4
mp-1207276
-3.633192
-3.106683
-3.338283
other
Sm2Se2F1
5
123
153
mp-778079
8.530307
1.284434
1.951282
other
Ba1Y1F5
7
123
103.24
mp-1217022
-8.734973
-5.997705
2.709623
other
Ti1Al1Au2
4
123
67.65
mp-1504764
11.993726
10.683471
0.810695
other
Y1V1O3
5
123
59.63
mp-1077994
-8.161228
-4.29284
1.883579
other
Si1Sn1Pd5
7
123
109.98
mp-1216857
-7.701556
-1.446943
4.689244
other
U4B3Ru12
19
123
282.95
mp-1206502
-5.012419
-3.884567
1.712772
other
U2Se2O1
5
123
113.82
mp-1224318
-5.812751
-3.50333
-2.159928
other
Ge1Te2Pb1
4
123
127.38
mp-1229025
-5.837612
-3.390887
-2.105488
other
Ag2Sb2Te4
8
123
228.85
mp-1221137
-4.103083
-2.12731
-5.021033
other
Na4Se1S1
6
123
146.44
mp-20911
-8.208368
-5.296079
4.311981
other
La1In5Ir1
7
123
169.96
mp-1227050
-3.484187
1.751638
2.978564
other
Ca1Sm1B12
14
123
140.02
mp-1209113
-2.431072
-8.261902
1.867044
other
Y2Ti1Ge2
5
123
5,527.95
mp-1208352
-3.402212
-6.760439
1.473707
other
Th2P1S2
5
123
1,282.44
mp-1216537
0.148553
2.187466
2.353865
other
V2C1N1
4
123
35.54
mp-1210372
-3.636186
-4.888035
0.97135
other
Na2Zn1P2
5
123
122.94
mp-1025155
-8.066128
-3.759373
5.369309
original
Lu1Ga5Co1
7
123
119.39
mp-1217285
-8.179707
-1.578477
2.569929
other
Ti1Al4Ni15
20
123
223.2
mp-1219483
-5.665328
-1.701039
4.484869
other
Re1Si4W1
6
123
81.06
mp-1217615
-7.454299
-5.914056
3.452054
other
Tb1Ag1Sn2
4
123
94
mp-1223433
-3.806025
-1.90373
-5.390354
other
K1Bi1S2
4
123
105.17
mp-1207271
0.556545
1.805959
-3.18259
other
Sr2I2F1
5
123
427.35
mp-1222818
2.263403
1.622588
1.902757
other
La1Gd1N2
4
123
68.6
mp-1218330
-3.198036
-2.118445
-5.399196
other
Sr1Ca1S2
4
123
102.81
mp-1216968
-8.690722
-2.379066
3.86267
other
U5B4Rh15
24
123
369.75
mp-1077902
-3.96594
-8.438032
6.89209
other
Li1Mg4Si2
7
123
135.84
mp-865146
-8.013317
-3.090117
2.465116
other
Mg1As1Pt5
7
123
111.2
mp-1383064
10.555558
11.760221
0.005677
other
Al1Cr1O3
5
123
54.57
mp-1219918
10.750392
8.832355
3.258664
other
Pm1Pa1O4
6
123
80.55
mp-1215183
-6.827234
-3.498998
5.581362
original
Zr1U1Al6
8
123
145.29
mp-1209649
-2.862005
-8.34761
1.379245
other
Sm2Sb3Au1
6
123
3,854.24
mp-1207008
-5.668643
-5.204257
0.682613
other
Li1Mn1Sb2
4
123
105.43
mp-1173831
11.803822
11.26092
-2.096891
other
Na8W19O57
84
123
1,133.8
mp-1228777
-7.225372
-0.171376
4.574457
other
Al4Fe5Rh1
10
123
122.55
mp-1215460
-8.875918
-6.117912
2.406414
other
Zn2Ag1Au1
4
123
65.7
mp-1206733
11.719768
9.182603
1.893862
other
Y2O1F1
4
123
118.44
mp-1222277
-4.399317
-2.746747
-3.692806
other
Li1Sb1Se2
4
123
92.99
mp-978920
10.983178
8.370503
2.429516
other
Tb2Be2O5
9
123
88.88
mp-1228973
-6.384788
-1.047001
4.064759
other
Al3Zn1Cr8
12
123
152.51
mp-1206468
-8.16978
-5.400349
4.31765
other
Sm1In5Rh1
7
123
162.69
mp-971724
12.643519
9.566985
1.385024
other
Ti2Si2O5
9
123
83.29
mp-1221122
-3.766573
-1.882227
-5.424802
other
Na1Bi1S2
4
123
93.07
mp-1223236
-7.9556
-6.71812
5.064407
other
La4Ce1Zn5
10
123
256.04
mp-1217891
-6.217567
-2.802559
5.550138
other
Ta1Ti1Al6
8
123
124.97
mp-1206455
-5.388051
-3.637667
2.252573
other
Nb2Si1Sb2
5
123
122.12
mp-1222616
-6.925115
-7.494149
2.690488
other
Li2Tl1Hg1
4
123
76.58