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-37334
-3.741719
-3.959511
0.91775
other
Li6Mn2P4
12
137
175.93
mp-774338
9.524447
9.61726
0.215932
other
Na24Mn4O16
44
137
635.98
mp-1247493
1.821631
2.151288
1.191694
other
Na12Cr2N8
22
137
311.75
mp-754835
8.878619
9.438741
0.020645
other
Na12Cu2O8
22
137
303.31
mp-1247513
1.910535
1.944302
0.264263
other
Cs12Os2N8
22
137
1,043
mp-1029498
1.495391
2.371463
1.453578
other
Li12Cr2N8
22
137
205.85
mp-1246826
1.84007
2.323836
0.714121
other
Cs12W2N8
22
137
634.37
mp-1178967
-9.398917
-0.371533
4.508607
other
Tb2B8Rh8
18
137
213.8
mp-1245752
1.683835
2.189065
1.004874
other
Na12Os2N8
22
137
357.4
mp-38995
-5.185962
-4.67985
0.6376
other
Li6Mn2As4
12
137
197.35
mp-1245890
1.859936
2.307867
1.060126
other
K12Re2N8
22
137
502.47
mp-780218
9.394433
8.781868
0.51632
other
Na40La8O32
80
137
1,315.22
mp-1200742
8.053838
4.920683
-6.541317
other
Tm8C8O32
48
137
701.57
mp-505343
-7.560189
0.735449
3.861603
other
U2Co8B8
18
137
174.57
mp-605860
-4.681873
-6.814712
2.709025
other
Ba16Li8N8
32
137
1,059.85
mp-1189897
-3.235826
-1.515924
-5.175791
other
Ba4Th2S12
18
137
495.57
mp-1246625
1.871627
2.347497
0.682802
other
K12Os2N8
22
137
593.44
mp-754354
8.386159
1.393247
1.824125
other
Ba8O2F12
22
137
481.23
mp-774732
-3.733536
-1.484137
-5.559001
other
Li40Bi8S32
80
137
1,640.52
mp-1189246
-7.626743
0.857063
3.904491
other
Er2Co8B8
18
137
174.28
mp-1198027
-3.972669
-4.89716
5.706017
other
Li8Si16B8
32
137
409.8
mp-1246505
1.794842
2.288501
1.02966
other
Rb12W2N8
22
137
528.35
mp-1246939
-0.564648
2.300208
2.236434
other
Fe12W2N8
22
137
212.54
mp-753966
-4.12591
-1.176828
-5.651074
other
Li12Cr2S8
22
137
375.55
mp-1105638
-9.483232
-0.424522
4.487402
other
Tm2B8Rh8
18
137
211.19
mp-1247298
1.819832
2.378619
0.799341
other
Cs12Re2N8
22
137
718.54
mp-571580
-8.158334
-6.358342
6.020461
other
Er56In12Pd12
80
137
2,172.37
mp-756490
-4.187945
-1.326143
-5.610578
other
Li12Mn2S8
22
137
369.72
mp-1246359
2.238826
2.220215
1.215322
other
Li12Se2N8
22
137
211.16
mp-3503
1.387208
2.462715
1.618242
other
Li12W2N8
22
137
215.17
mp-14495
9.680902
11.690208
0.121294
other
Li12Zn2O8
22
137
193.39
mp-752424
0.156435
1.18999
-3.711278
other
Ba8Br12O2
22
137
806.66
mp-505372
5.312891
-0.303337
-2.907437
other
Np2B8H32
42
137
467.48
mp-1179918
-9.395571
-0.409936
4.451201
other
Pr2B8Rh8
18
137
220.23
mp-1188477
8.309889
1.111148
-4.073869
other
Li4H8N4
16
138
116.51
mp-31367
6.582836
5.855506
-3.532759
other
Li4Cl4O8
16
138
249.48
mp-1195421
6.930578
7.549822
-3.263179
other
Pd4Pb8O24
36
138
474.85
mp-20006
8.691994
1.41771
1.094915
other
Zn4Pb8F24
36
138
507.25
mp-754761
9.694136
9.349306
3.81406
other
Sr8Hf4O16
28
138
423.78
mp-29420
1.784146
2.666641
-4.431784
other
Hf4Se16Cl24
44
138
1,284.64
mp-679951
-4.82788
-6.726333
2.943333
other
Ba68Al12O28
108
138
4,225.66
mp-505052
8.927936
10.116173
2.244426
other
Nd8Ni4O16
28
138
377.48
mp-779217
10.437812
9.385985
3.732687
other
Tb8Zr8O28
44
138
600.22
mp-619928
1.843985
2.693944
-4.46704
other
Zr4Se16Cl24
44
138
1,296.56
mp-1199279
-8.459912
-8.078703
5.893032
other
Ce4Mg20Ru8
32
138
685.38
mp-505093
8.914991
10.159433
2.192422
other
Pr8Ni4O16
28
138
383.35
mp-30313
9.835222
6.812283
-3.340062
other
Tb8Se8O28
44
138
585.86
mp-4287
9.347546
9.160378
1.688753
other
Sr8Sn4O16
28
138
418.39
mp-21874
8.758226
10.167907
2.263126
other
La8Ni4O16
28
138
390.69
mp-1213863
11.568848
9.832108
1.58863
other
Ce4W2O12
18
136
266.02
mp-19970
7.523232
12.60216
-0.736118
other
Li12Cu4O12
28
136
265.39
mp-569428
-7.703031
0.983899
5.114746
other
Pr8Fe56B4
68
136
938.95
mp-771894
7.628402
12.599383
-0.810772
other
Li12Fe4O12
28
136
287.64
mp-1197388
-7.704138
1.028892
5.05209
other
Gd8Fe56C4
68
136
865.81
mp-22295
-4.440964
-3.94201
0.793573
other
Ca2Cu8P4
14
136
198.47
mp-1247337
2.108393
2.347448
1.327401
other
Zn22C4N20
46
136
535.25
mp-1196306
-7.720903
1.042693
5.09024
other
Sm8Fe56B4
68
136
922.98
mp-510482
-6.42961
-2.069625
0.977371
other
Er2Ni8As4
14
136
191.68
mp-21860
12.593985
11.22167
1.689141
other
Ta8V4O24
36
136
416.55
mp-571245
-7.708957
1.020101
5.014788
other
Ho8Fe56C4
68
136
888.16
mp-608402
-7.754758
-4.707767
3.102793
other
Zr8In4Pd8
20
136
466.29
mp-1188079
-7.173908
-3.241499
3.848748
other
Zr8In4Ni8
20
136
349.53
mp-753731
-1.279378
1.913073
-1.617739
other
Ba4Ca2I12
18
136
956.19
mp-756131
-1.205435
1.982298
-1.810964
other
Sr4Ca2I12
18
136
858.53
mp-28365
8.755103
9.597386
-0.121424
other
Na12Au4O8
24
136
422.25
mp-759317
8.874799
10.123459
-0.089368
other
Na12Ni4O8
24
136
414.09
mp-758265
9.644445
0.577186
-0.500571
other
Li2Cu4F12
18
136
187.49
mp-556208
2.302656
2.528251
-4.238195
other
W4Cl12O4
20
136
574.29
mp-28824
8.943371
10.089828
-0.058317
other
Na12Co4O8
24
136
417.61
mp-1246415
1.527494
1.862327
1.247225
other
Ca22Co4N20
46
136
806.14
mp-1246141
1.687613
1.773444
1.302517
other
Sr22Si4N20
46
136
996.43
mp-13986
8.917406
1.386925
-0.243951
other
Li4Pt2F12
18
136
192.89
mp-9650
10.956004
11.78755
2.749536
other
Mg2Ta4O12
18
136
205.7
mp-1246606
1.577609
1.833696
1.254095
other
Ca22Ru4N20
46
136
830.52
mp-1245334
0.49698
2.438384
2.121866
other
Mn22C4N20
46
136
464.11
mp-763546
9.779174
11.450154
-0.85645
other
Mn4Sb8O24
36
136
420.03
mp-4459
-7.775725
0.980671
5.017398
other
Ce8Fe56B4
68
136
914.95
mp-1247162
1.651525
1.803152
1.20845
other
Ca22Pb4N20
46
136
912.83
mp-1245458
1.555637
1.82202
1.328113
other
Sr22Ge4N20
46
136
1,034.01
mp-1224752
11.585228
11.226464
-1.118217
other
Fe2Re4O12
18
136
196.19
mp-4214
-7.699188
1.064108
4.969325
other
Lu8Fe56B4
68
136
891.33
mp-1212824
-8.007616
-0.994555
4.543553
other
Er2Co8Ge4
14
136
193.11
mp-505009
9.916862
11.28089
-0.831484
other
Fe4Sb8O24
36
136
412.23
mp-763481
10.810114
12.069695
2.095259
other
Nb8Co4O24
36
136
429.67
mp-756408
8.273735
14.541733
0.005604
other
Li12Mn4O12
28
136
276.86
mp-1105253
-5.459812
-1.197074
4.011926
other
Gd2Re8Si4
14
136
225.57
mp-754966
10.066806
0.360066
-0.209778
other
Li4Mn2F12
18
136
179.14
mp-1104526
-6.469117
-2.031897
1.093041
other
Sc2Ni8As4
14
136
184.53
mp-1104575
-7.020011
0.147716
4.963067
other
Y2Fe8Si4
14
136
188.72
mp-1246307
2.088828
2.216012
1.507146
other
Mg22C4N20
46
136
548.4
mp-755001
10.042769
9.372487
0.56018
other
Er4Te2O12
18
136
247.48
mp-568326
-2.922312
0.549853
2.678759
other
Pr8W4C8
20
136
358.39
mp-1197003
-8.760946
0.088262
4.493732
other
Pr8Co56B4
68
136
878.64
mp-755549
9.870871
9.415209
0.594738
other
Y4Te2O12
18
136
253.34
mp-849358
12.395761
-0.822065
0.991679
other
Mn6O4F8
18
136
224.35
mp-7791
9.099368
1.435105
0.666871
other
Li4Ge2F12
18
136
179.64
mp-1101638
10.089669
7.502533
-2.432856
other
Na6P2O8
16
136
217.65
mp-766838
10.834508
12.124486
2.06785
other
Nb8Ni4O24
36
136
424.2
mp-1209036
-8.790404
-6.039369
3.195059
other
Sc8Sn4Au8
20
136
417.28
mp-630862
-7.964094
-4.903143
3.279884
other
Yb8Pt8Pb4
20
136
448.95