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-755380
9.771924
8.625298
3.1864
other
Ce2Dy2O7
11
115
160.87
mp-1219919
-6.024365
-4.869451
1.121902
other
Pr2Cd1Sb4
7
115
209.95
mp-1215903
2.521173
2.360378
1.322571
other
Y1B1N2
4
115
45.2
mp-569055
-1.189116
2.790725
-2.879404
other
Cs1Li2I3
6
115
228.39
mp-1223971
-5.251344
-2.790738
-4.179253
other
In1Cu1Se2
4
115
101.36
mp-1221943
-3.419939
-3.897169
0.549555
other
Mg1Ge1P2
4
115
87.68
mp-1218786
-6.204331
-6.923285
3.449049
other
Sr2Mg3In5
10
115
290.17
mp-640073
-5.154388
-0.937296
-5.470867
other
Fe1Cu1S2
4
115
71.58
mp-1225241
-8.41532
-5.096547
4.685988
other
Ho20In40Rh19
79
115
1,725.84
mp-1019601
10.593589
9.831018
3.968302
other
Ce1Zr7O16
24
115
288.29
mp-1385829
0.838971
2.425918
1.562539
other
Ca1Mn2N2
5
115
72.3
mp-675003
9.582887
8.748397
3.123685
other
Ce8Nd2O19
29
115
415.18
mp-1217715
-8.270867
-4.665746
4.749772
other
Tb2Ga5Cu3
10
115
172.12
mp-1222545
12.003216
12.340475
1.844279
other
Li3Ti8O16
27
115
301.6
mp-1224790
-6.033703
-3.359507
-2.295113
other
Ga1Ag1Te2
4
115
127.4
mp-1223851
-4.352664
-4.732859
0.245619
other
In2As1P1
4
115
108.32
mp-1226210
-6.607802
-0.942504
2.167875
other
Cr1Fe3As2
6
115
81.41
mp-1222484
8.337838
14.434527
-1.571359
other
Li1Mn8O16
25
115
284.13
mp-1215500
-4.704723
-1.321658
-6.200787
other
Zn3Co1S4
8
115
157.7
mp-1226356
-8.421068
-5.078248
4.640823
other
Dy20In40Rh19
79
115
1,738.7
mp-1443952
0.925299
2.379391
1.624216
other
Ca1Co2N2
5
115
72.47
mp-1220403
-8.223182
-4.864893
4.836015
other
Nd2Ga5Cu3
10
115
180.09
mp-1222145
-5.933515
-3.379862
-2.405458
other
Mg3Mn1Te4
8
115
267.17
mp-1219845
-6.356822
-5.526045
1.469328
other
Pr2Zn1Bi4
7
115
212.09
mp-1105787
8.39865
1.510461
0.895715
other
Pb8O4F8
20
115
408.96
mp-19928
-5.890624
-3.54256
1.832677
other
Hf2Cu1Sb3
6
115
131.5
mp-1215434
-4.824561
-4.954859
0.154747
other
Zn1Sn1As2
4
115
101.08
mp-675556
10.582843
9.694159
3.941115
other
Er2Zr8O19
29
115
351.32
mp-505804
-6.069919
-3.441625
1.707402
other
Ti2Cu1Sb3
6
115
119.98
mp-1226831
9.976438
9.114536
3.405982
other
Ce3Zr1O8
12
115
157.1
mp-1215430
-5.224153
-2.44153
-5.519355
other
Zn2Se1S1
4
115
84.39
mp-1220399
-8.516108
-5.852724
3.794772
other
Nd2Ga5Au3
10
115
211.73
mp-1433304
0.70046
2.38386
1.863785
other
Mg1V2N2
5
115
69.34
mp-1226843
-5.84934
-4.601261
1.025851
other
Ce2Cd1Sb4
7
115
206.49
mp-1215422
11.540327
9.806932
3.428205
other
Zr2S1O3
6
115
82.28
mp-676389
10.292662
9.770301
3.502853
other
Yb2Zr8O19
29
115
346.54
mp-755604
9.62188
11.818966
-4.118921
other
V6Cr2O20
28
115
395.99
mp-1210686
8.257285
2.080017
-0.628288
other
Mg1Sb2F12
15
115
255.67
mp-1215452
-5.560666
-5.697672
0.563415
other
Zn1Sn1Sb2
4
115
126.27
mp-1213993
8.301744
2.007248
-0.762095
other
Ca1As2F12
15
115
214.62
mp-1007823
3.141888
2.532313
1.118445
other
Ga1B1N2
4
115
34.21
mp-1219732
-4.341992
-1.364579
-4.178505
other
Pt4Se1S3
8
115
159.05
mp-760491
9.664162
8.788486
3.184996
other
Ce4Y2O11
17
115
243.45
mp-1217675
-6.082613
-4.65932
1.337551
other
Tb2Zn1Sb4
7
115
184.63
mp-1389439
1.610135
2.244109
0.895077
other
Zn1Cu2N2
5
115
67.38
mp-1226729
-4.872773
-2.629494
-4.192081
other
Cd1Hg1Se2
4
115
117.31
mp-1219184
-6.007327
-4.93238
1.122057
other
Sm2Cd1Sb4
7
115
202.9
mp-1222094
-5.842429
-3.485782
-2.477707
other
Mg4Te3Se1
8
115
254.49
mp-1227090
-4.352976
-4.034553
-3.817387
other
Ca8Dy3Se12
23
115
612.74
mp-1421344
0.573954
2.454846
1.814401
other
Zn1W2N2
5
115
75.98
mp-1215403
-6.076838
-3.432764
-2.312629
other
Zn1Hg1Te2
4
115
127.65
mp-1210728
8.411485
1.879961
-0.688258
other
Mg1Au2F12
15
115
250.21
mp-1395522
0.491252
2.746364
1.740191
other
Mg1Fe2N2
5
115
62.03
mp-1218321
-8.380086
-5.670797
5.104265
other
Tb20In40Ni19
79
115
1,664.9
mp-1008527
3.451607
2.498993
0.335212
other
B2C1N1
4
115
25.31
mp-1389170
2.271183
2.327667
1.330169
other
Mg1Sn2N2
5
115
92.47
mp-34993
12.523013
7.844895
0.155174
other
Li12Al12O24
48
115
384.98
mp-1219648
11.460398
10.708174
-0.110062
other
Re8Pb8O27
43
115
596.22
mp-1221976
-6.00928
-3.271285
-1.998701
other
Mg1Mn3Te4
8
115
261.96
mp-1221497
-6.137949
-3.213799
-2.126146
other
Mn1Zn1Te2
4
115
121.25
mp-1399099
0.557385
2.771237
1.704038
other
Zn1Fe2N2
5
115
61.24
mp-1226818
-6.174646
-5.156847
1.256902
other
Ce2Zn1Bi4
7
115
210.74
mp-1215424
-3.378939
-3.768961
0.560225
other
Zn1Ge1P2
4
115
81.63
mp-676646
10.541554
9.67799
3.930275
other
Tb2Zr8O19
29
115
342.92
mp-1215356
-5.521058
-3.496269
2.591084
original
Zr4Si3Sb5
12
115
258.4
mp-1228403
-6.163346
-6.267698
3.768971
other
Ba2Ga7Ag1
10
115
226.75
mp-1225674
-4.720746
-2.719987
-3.839606
other
Cu1As1Se2
4
115
99.74
mp-1392959
0.836569
2.505171
1.780833
other
Zn1Cr2N2
5
115
72.87
mp-1219169
-6.025336
-4.791656
1.195394
other
Sm2Zn1Sb4
7
115
190.08
mp-1147527
-5.016519
-2.781371
-3.780107
other
Ca1Co1Se2
4
115
99.55
mp-1224061
-5.900352
-3.527874
-2.0435
other
In2Te1As1
4
115
145.5
mp-1233759
15.4358
5.784201
0.111826
other
Ca1Si5O10
16
115
315.22
mp-1235571
15.484265
5.646288
0.263395
other
Li1Si5O10
16
115
314.48
mp-1222122
-4.776726
-3.096724
-4.512907
other
Mg2Se1S1
4
115
97.72
mp-1224091
-6.150726
-3.139781
-2.267928
other
In1Cu1Te2
4
115
121.4
mp-1223798
-6.066093
-3.334456
-2.291092
other
In1Ag1Te2
4
115
136.17
mp-1220339
-5.998818
-4.847107
1.138282
other
Nd2Cd1Sb4
7
115
207.26
mp-1227063
-4.619874
-3.762439
-3.840752
other
Ca8Yb3Se12
23
115
630.37
mp-1227331
-6.338411
-4.961239
1.041925
other
Ce4Ni3Bi8
15
115
403.97
mp-628616
1.87986
2.169256
0.527115
other
Na3Li3N2
8
115
155.61
mp-601420
-6.021796
-4.65996
3.918797
other
Ce4Si8Au16
28
115
518.28
mp-16421
-5.887639
-3.599706
1.873528
other
Zr2Cu1Sb3
6
115
134.17
mp-1018709
-5.724203
-3.575534
1.897827
other
Hf2Ga1Sb3
6
115
132.54
mp-1430957
0.724811
2.496545
1.810957
other
Zn1Co2N2
5
115
59.47
mp-1222011
-6.075738
-3.441519
-2.384314
other
Mg1Cd1Te2
4
115
138.15
mp-1225340
-5.955029
-3.456583
-1.988154
other
Eu2Cu1Te4
7
115
200.41
mp-1219852
-8.208163
-4.859895
4.82251
other
Pr2Ga5Cu3
10
115
182.6
mp-861469
8.636434
13.192438
-1.192263
other
Fe9Cu3O16
28
115
287.16
mp-1221929
-4.378551
-1.508741
-6.026158
other
Mg1Zn1S2
4
115
84.16
mp-1216654
-5.814703
-3.940867
1.055187
other
U2Ni1Sb4
7
115
175.34
mp-1223237
-6.040874
-4.747681
1.173886
other
La2Mn1Sb4
7
115
205.2
mp-1414188
0.819625
2.555413
1.74806
other
Mg1Mn2N2
5
115
66.65
mp-1400762
2.097106
2.290233
1.196301
other
Ca1Sn2N2
5
115
108
mp-1210707
8.238965
1.404505
-0.379018
other
Mg1Bi2F12
15
115
275.72
mp-1406978
0.743143
2.357913
1.804736
other
Ca1V2N2
5
115
78.97
mp-1215429
-3.300421
-3.874887
0.551133
other
Zn1Sn1P2
4
115
90.15
mp-971712
-4.30494
-1.506773
-6.017032
other
Zn1Cd1S2
4
115
89.43
mp-1414602
0.72087
2.470637
1.773061
other
Ca1W2N2
5
115
86.47
mp-1223367
-6.151438
-4.477261
1.114362
other
La2Co1Sb4
7
115
195.05
mp-675835
10.557236
9.69675
3.957324
other
Dy2Zr8O19
29
115
341.69