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-1247343
1.760893
1.876302
1.523887
other
Ca10Ti4N12
26
15
423.31
mp-30984
8.014034
5.920989
-4.058648
other
S2I4O12
18
15
295.42
mp-554583
13.122266
6.462037
-6.844842
other
Dy4P20O56
80
15
1,018.39
mp-1210491
6.589866
5.997772
-3.695978
other
Pr4Cl6O32
42
15
695.54
mp-29112
9.143795
9.720931
-2.430619
other
Cr2Hg10O12
24
15
465.27
mp-769077
10.437899
9.415198
-1.858215
other
Mg4Te6O16
26
15
376.72
mp-1246014
2.237933
2.133201
1.409844
other
Mg6In4N8
18
15
237.96
mp-1245859
1.881757
1.81466
1.332143
other
Sr10Sn4N12
26
15
515.86
mp-726394
6.69172
5.613669
-3.470786
other
Sr2Cl4O4
10
15
213.54
mp-1178555
-1.285078
1.933761
-1.599378
other
Ba4Sr2I12
18
15
951.63
mp-645962
13.999953
4.226287
-2.152763
other
La8B28O54
90
15
923.39
mp-754368
10.603125
9.422417
-0.177636
other
Na2Sb2O4
8
15
121.78
mp-17591
10.621171
10.562105
0.377643
other
Sm8Mo4O24
36
15
486.61
mp-675953
9.345171
7.090908
-3.431241
other
Tl4Se2O8
14
15
297.32
mp-1200720
-4.751972
-2.914265
-3.843047
other
Cs8In8Se16
32
15
1,164.08
mp-752733
11.745033
9.173562
0.508458
other
Ti2Ga4O10
16
15
168.34
mp-1095160
-7.64743
-6.044247
3.346976
other
Eu4In2Pd4
10
15
242.87
mp-1211790
8.909838
5.569643
-6.162337
other
K6S4O16
26
15
384.54
mp-1176934
-5.004937
-3.161163
-3.265599
other
Li12Sb2S4
18
15
346.55
mp-1409253
9.149743
2.36256
1.476838
other
Ca2W2F10
14
15
237.07
mp-1213311
7.793631
11.753418
-0.833301
other
Li12Nb2O12
26
15
258.28
mp-676563
11.094733
11.740567
2.88166
other
Ta8Cu4O22
34
15
429.73
mp-17012
1.222134
2.265064
1.626642
other
Sr8V4N12
24
15
387.54
mp-1101386
13.945819
7.168735
-5.237758
other
Sn12P12O42
66
15
1,035.03
mp-754205
8.504176
13.639811
-1.402463
other
Cr2Fe4O10
16
15
170.62
mp-1178115
12.016011
7.604621
1.315168
other
La2Al6O12
20
15
267.75
mp-555109
10.590764
10.608015
3.234709
other
Tm2Nb2O8
12
15
143.83
mp-1210605
7.620183
7.537572
-4.147563
other
Mg2Se2O10
14
15
205.52
mp-1178872
8.034849
7.477768
-4.122159
other
U2Se4O18
24
15
429.49
mp-752416
5.613794
10.843444
-1.750735
other
Mg4Fe4O12
20
15
224.72
mp-29160
10.919231
11.878646
1.692411
other
Ti4Ag8O12
24
15
333.71
mp-1204782
7.363855
6.072493
-4.339368
other
Na4B8O34
46
15
757.09
mp-5387
10.554183
10.785062
3.260125
other
Y2Nb2O8
12
15
149.11
mp-616228
0.367931
2.112065
-4.205276
other
Te16W4Cl24
44
15
1,427.16
mp-18889
10.822818
11.669885
-3.371493
other
V2Ag6O8
16
15
230.91
mp-1172887
8.243673
9.859842
2.082744
other
La12Cu12O30
54
15
706.75
mp-1311663
8.942237
12.587079
-1.392468
other
Co10Sb2O16
28
15
319.83
mp-17458
10.652325
12.288207
-3.850703
other
V4Zn4O14
22
15
291.65
mp-1209497
-4.496798
-3.040952
-3.663783
other
Rb8Si8Se20
36
15
1,175.48
mp-675800
-3.857751
-4.228399
0.860338
other
Li10Ti2P6
18
15
300.28
mp-17914
11.614347
7.748032
0.348966
other
Ca2Ga8O14
24
15
327.09
mp-770688
7.090232
11.918141
-2.10348
other
Li8Cr2O10
20
15
200.19
mp-1178767
7.077759
6.698503
-4.098415
other
Yb4Se6O40
50
15
862.78
mp-760028
10.317822
0.170407
0.505677
other
Li18Mn6F36
60
15
662.47
mp-625809
8.371507
5.045344
-3.845191
other
Ba2H8O12
22
15
238.79
mp-1209835
6.642359
6.312862
-3.874997
other
Se4N6O16
26
15
689.47
mp-580802
0.959919
1.198971
-3.975085
other
Ce12C4Cl20
36
15
959.07
mp-1101331
-1.202484
1.924472
-1.788554
other
Sr2La2I10
14
15
565.81
mp-1043195
12.018922
8.719156
-2.127222
other
V4Ge8O24
36
15
474.13
mp-4271
7.995081
9.8389
0.826116
other
Eu2Ta2O8
12
15
153.52
mp-1019591
9.916043
9.153895
3.434698
other
Ce6Zr2O16
24
15
319.35
mp-757119
9.468608
0.632029
-0.30974
other
Li2Cu4F10
16
15
206.53
mp-1079900
-5.851726
1.008352
2.750923
other
Dy2Ni4B4
10
15
119.46
mp-628690
4.569177
3.284601
-3.658443
other
Sb4N24Cl4
32
15
723.35
mp-768235
13.403853
5.251107
-2.779425
other
B8Te4O20
32
15
471.04
mp-25264
10.082491
10.60114
-3.838833
other
Sb2Mo4O16
22
15
310.79
mp-1105054
8.07843
6.9148
-5.305032
other
Fe2S2O10
14
15
169.98
mp-1221453
9.648783
8.6294
3.084341
other
Na8Ce4O12
24
15
338.7
mp-28579
-1.327427
1.842649
-3.776587
other
Hg12Te8I8
28
15
1,047.69
mp-759968
6.511693
9.005689
-0.576195
other
Na4Bi2O6
12
15
159.02
mp-1213557
7.564576
7.151492
-4.446277
other
Dy4S6O40
50
15
813.27
mp-1192108
7.864565
7.048974
-4.636456
other
S4N6O12
22
15
383.1
mp-867726
8.167727
12.602593
-0.49923
other
Li14Co4O12
30
15
295.76
mp-695952
10.17923
8.249188
-6.588487
other
Cr6P8O32
46
15
655.04
mp-1194043
13.492537
4.671625
-1.48263
other
Er6B6O18
30
15
317.46
mp-1197273
7.424089
6.800842
-4.414781
other
Yb4S6O40
50
15
781.23
mp-1190112
-8.00706
-3.10953
4.554709
original
Sm4Ge10Rh6
20
15
369.54
mp-770924
8.164641
13.311461
-0.989218
other
Li12Cr4O14
30
15
269.52
mp-1191659
7.5145
5.122121
-5.409313
other
Co2C8O12
22
15
288.13
mp-3901
10.496822
10.685154
3.304934
other
Nd2Nb2O8
12
15
161.74
mp-1195732
8.306998
2.181229
-0.796074
other
Sb4Xe2F30
36
15
621.54
mp-541060
-3.025023
0.632257
-3.418504
other
K8Re12Se24
44
15
1,092.57
mp-755240
11.167714
7.7353
-3.625922
other
As4Au4O12
20
15
344.18
mp-761269
9.406926
0.508558
0.158107
other
Li4Ag2F8
14
15
167
mp-1101643
-4.918648
-5.171089
0.387222
other
Li10Ge2As6
18
15
336.55
mp-1212627
5.298808
4.001396
-4.43733
other
Mn2C12O12
26
15
1,389.61
mp-1029510
2.258898
2.02634
1.414197
other
Sr6B4N8
18
15
275.98
mp-768343
11.167858
11.2943
-2.637396
other
Lu4W6O24
34
15
460.8
mp-1019557
9.390161
4.994535
-6.151485
other
Ba2S8O26
36
15
520.54
mp-1246202
2.528529
2.2362
1.670673
other
Mg10Si4N12
26
15
301.33
mp-772185
9.888328
11.565197
1.823423
other
Li12Hf4O14
30
15
302.9
mp-763508
8.282188
4.218098
-6.905162
other
V4C8O24
36
15
483.96
mp-772096
10.339234
9.522745
-1.824883
other
Tm2Te6O16
24
15
328.96
mp-541126
10.309948
10.738284
0.832577
other
Gd8W4O24
36
15
487.04
mp-726822
6.505951
6.192127
-3.703416
other
Pb2Cl4O14
20
15
318.21
mp-1208357
7.570704
7.2502
-4.364073
other
Tm4S6O40
50
15
790.1
mp-28685
1.571014
1.969015
1.192722
other
Ba16Ni12N14
42
15
931.92
mp-19373
10.377754
12.398436
-3.743479
other
Li4V4O12
20
15
231.82
mp-25576
13.008338
11.277363
-0.271703
original
Li2Mo4O8
14
15
180.52
mp-1104227
7.898497
7.719588
-3.99292
other
Fe2Se2O10
14
15
189.37
mp-1194705
-3.455015
-4.034368
0.537814
other
Sr16P56Cl8
80
15
2,005.12
mp-767192
13.980844
7.0732
-5.443693
other
Sn4P8O24
36
15
585.46
mp-768399
-0.161895
0.771742
-3.771751
other
Ba6Y4Br24
34
15
1,305.55
mp-698617
7.5003
11.96101
2.080124
other
La16Mn18O54
88
15
1,079.56
mp-773126
11.326723
11.182364
-2.537747
other
Sm4W6O24
34
15
501.91
mp-28251
10.88479
11.578222
2.535056
other
Ta4Zn6O16
26
15
319.51
mp-685712
7.095686
8.453106
-0.911915
other
Na24Pr12O36
72
15
986.01
mp-510672
8.205243
13.633439
-0.647877
other
Mn6Pb6O18
30
15
375.87
mp-554072
8.566231
3.733875
-6.999564
other
K4C2O6
12
15
184.71
mp-768526
8.174167
6.519071
-5.597994
other
Ni4S6O24
34
15
432.56