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-1018791
-3.86997
-3.695434
0.724348
other
Li1Y1Cu2P2
6
164
90.09
mp-1217099
0.732518
1.228852
2.858783
other
Ti8Al4C1N3
16
164
215.3
mp-2218123
10.777203
10.881499
-2.825385
other
Mg1Re2Ni1O8
12
164
162.41
mp-1104228
11.034049
12.105862
-3.277141
other
K3Er1V2O8
14
164
246.2
mp-1228082
7.098198
10.742382
0.604299
other
Ba3Be1Ir2O9
15
164
192.6
mp-1206440
8.800072
0.583862
1.175745
other
Cs2Li1Cr1F6
10
164
180.29
mp-18868
11.236781
11.042047
-4.060812
other
Rb1Fe1Mo2O8
12
164
228.57
mp-1028483
-9.218585
3.069332
-4.615726
other
Te4Mo2W2S4
12
164
375.63
mp-1209304
11.0016
12.072197
-3.21073
other
Rb3Tb1V2O8
14
164
253.76
mp-753468
9.980295
1.008265
0.129944
other
Li2Ni4O2F6
14
164
154.51
mp-6654
8.533456
0.678343
1.299185
other
Cs2Li1Ga1F6
10
164
181.49
mp-20921
10.402712
10.551316
2.963256
other
Ba12Mn4Nb8O36
60
164
878.75
mp-1025163
10.396083
6.973607
-0.353848
other
Gd2C1N2O2
7
164
103.53
mp-569617
-3.447282
-4.216539
0.754688
other
Ca3Zn2Cu2P4
11
164
208.17
mp-2218235
10.991016
11.03555
-2.52898
other
Mg1Zn1Re2O8
12
164
169.47
mp-555194
8.693935
1.627608
0.406953
other
Si1Hg3S2F6
12
164
233.15
mp-865466
10.05971
1.993767
-3.766531
other
Ti1H8N2F6
17
164
143.53
mp-1214485
9.559186
10.870528
3.177848
other
Ba3Ta2Co1O9
15
164
202.9
mp-1104938
11.277315
10.994659
-3.507574
other
Rb3Na1Mo2O8
14
164
274.43
mp-638553
7.456257
10.457599
0.862983
other
Ba6In3Ir3O18
30
164
452.68
mp-1228197
9.543311
10.629842
1.34186
other
Ba3In2W1O9
15
164
226.62
mp-6574
10.050361
6.757536
-0.152397
other
Er2C1N2O2
7
164
96.28
mp-1221735
10.38719
12.133226
-0.396492
other
Mn1Cu2Sb1O4
8
164
114.81
mp-1219600
10.866949
10.431042
2.964514
other
Rb1La2Ti3O9
15
164
187.34
mp-1222256
8.817535
1.911909
0.602599
other
Rb30Mo18O18F84
150
164
3,118.07
mp-1209269
11.66108
11.116938
-2.486075
other
Rb1Lu1W2O8
12
164
254.09
mp-1210302
11.774907
7.236003
-3.718826
other
Na3Nd1As2O8
14
164
224.61
mp-9497
10.066606
6.8539
-0.371463
other
Pr2C1N2O2
7
164
114.37
mp-1226383
-4.454774
-5.760468
0.630833
other
Cs12Sn2As6O1
21
164
858.58
mp-634817
12.024952
8.839205
0.51286
other
Ca1Zn2P2O2
7
164
122.52
mp-19450
11.64754
11.239448
-3.775012
other
Sc1Tl1Mo2O8
12
164
213.72
mp-1226335
-4.778215
-6.217224
0.694063
other
Cs12Sn2Sb6O1
21
164
997.21
mp-1218808
5.594417
10.981543
-0.280076
other
Sr2La1Fe3O9
15
164
180.03
mp-1220846
10.547552
11.023872
1.896878
other
Nb8Co4Pb12O36
60
164
814.66
mp-1104967
11.062769
12.047709
-3.232051
other
K3Ho1V2O8
14
164
246.16
mp-554959
11.416746
7.823953
-0.267635
other
K2Al2Sb2O7
13
164
233.01
mp-7980
9.796724
10.396329
3.426543
other
Ba3Sr1Ta2O9
15
164
233.23
mp-1206553
1.564277
2.659522
-5.507927
other
Rb2Li1Ru1Cl6
10
164
265.25
mp-1210292
10.958788
12.067012
-3.237298
other
Na3Sm1V2O8
14
164
227.74
mp-6325
9.705413
10.468502
3.361729
other
Ba3Mg1Ta2O9
15
164
212.28
mp-504667
11.529669
11.076893
-2.557993
other
Rb1In1W2O8
12
164
244.76
mp-1103735
13.151331
5.59276
-5.993003
other
Rb3Lu1P2O8
14
164
219.92
mp-1227960
6.050355
11.366054
0.633618
other
Ba1La2Co3O9
15
164
176.96
mp-1223333
5.956838
8.780165
-0.666644
original
K1Sr2Bi3O9
15
164
245.47
mp-8696
9.104645
6.809261
-3.643523
other
K3Na1Se2O8
14
164
218.29
mp-1222383
7.076052
12.070249
1.720252
other
Li1La2Mn3O9
15
164
172.16
mp-1210713
9.452258
14.553268
-0.421175
other
Mn13Fe1Si2O22
38
164
446.47
mp-1219816
-4.815143
-6.120697
0.618712
other
Rb12Sn2Sb6O1
21
164
868.4
mp-1027110
-9.189745
3.074266
-4.629977
other
Te4Mo2W2S4
12
164
392.96
mp-18733
11.388852
11.217351
-3.90079
other
Al1Tl1Mo2O8
12
164
210.9
mp-1209420
13.157373
5.607209
-5.95697
other
Rb3Tm1P2O8
14
164
232.76
mp-7249
9.751253
10.525503
3.314747
other
Ba3Nb2Zn1O9
15
164
215.31
mp-2218108
10.905378
10.887513
-2.604701
other
Eu1Mg1Re2O8
12
164
195.77
mp-1218646
6.752394
11.34266
0.817499
other
Sr1Gd2Fe3O9
15
164
177.23
mp-1209398
10.984391
12.064477
-3.173645
other
Rb3Lu1V2O8
14
164
249.43
mp-1209315
11.045545
12.016467
-3.137605
other
Rb3Dy1V2O8
14
164
252.92
mp-1213213
11.614998
10.985469
-2.384309
other
Cs1Tm1W2O8
12
164
252.58
mp-13039
10.234752
6.861744
-0.148488
other
Tm2C1N2O2
7
164
94.58
mp-616601
7.604919
10.521212
1.163568
other
Ba6In3Ru3O18
30
164
435.71
mp-1222507
6.602475
14.532209
-1.524359
other
Li3Co2Ni1O6
12
164
105.99
mp-562050
8.565166
1.278213
1.507551
other
Cs6Na3Ti3F18
30
164
544.08
mp-1209402
13.227671
5.630359
-5.921717
other
Rb3Ho1P2O8
14
164
232.11
mp-1209248
11.273913
11.138426
-3.989507
other
Rb1Al1Mo2O8
12
164
206.95
mp-643004
3.211471
-0.572599
-2.169367
other
Sr1Mg2Fe1H8
12
164
112.75
mp-1219774
-4.501234
-5.671165
0.482704
other
Rb12Sn2As6O1
21
164
761.16
mp-1214580
11.959508
6.703302
0.089683
other
Ba3Cd1Si2O8
14
164
218.47
mp-31514
9.747867
10.712056
3.214825
other
Ba3Nb2Co1O9
15
164
214
mp-1216420
-5.008281
0.116809
3.023076
other
V2Cr2Ge2C2
8
164
92.64
mp-554669
9.765262
10.37938
3.379949
other
Ba3Ta2Cd1O9
15
164
225.96
mp-1214502
9.82909
10.262897
3.377472
other
Ba3Nb2Cd1O9
15
164
228.25
mp-1209180
11.491687
11.231461
-3.922009
other
Rb1Sc1Mo2O8
12
164
235.74
mp-562226
9.916786
10.656392
3.300405
other
Ba8Nb6Co1O24
39
164
574.21
mp-1224585
-0.282589
1.503228
-4.166333
other
In2Hg8As5Br7
22
164
803.54
mp-1217909
-4.381422
-0.676812
3.191815
other
Ta2Ti2Al2C2
8
164
114.27
mp-1210101
8.769295
1.073628
1.508312
other
Na1Be2Tl3F8
14
164
225.44
mp-569303
4.349856
2.167995
-3.209365
other
Zn1B2C8N8
19
164
303.6
mp-628588
13.060889
9.032526
-0.792396
other
Fe8Si4Sn14O32
58
164
785.11
mp-1220371
-4.52357
-0.237977
3.054397
other
Nb2Al2V2C2
8
164
108.08
mp-1175139
3.333965
23.4673
-1.502224
other
Li7Mn2Co3O12
24
164
218.67
mp-1275794
10.097543
2.30434
2.234861
other
Li2Fe4O2F6
14
164
169.59
mp-1223344
6.747623
11.135991
1.173156
other
La6Co4Cu2O18
30
165
356.33
mp-1211073
8.898699
1.696293
1.647413
other
Na6Np12Fe2F60
80
165
1,107.45
mp-1209733
14.341449
5.172278
-7.582963
other
Sm2Zr12P18O72
104
165
1,601.13
mp-555444
14.386122
5.205864
-7.534055
other
Ce2Zr12P18O72
104
165
1,613.06
mp-680154
11.800328
7.322192
-0.963974
other
Rb12Ti6Ge18O54
90
165
1,400.63
mp-690564
7.543787
12.004114
1.795644
other
La4Mn6Pb2O18
30
165
369.03
mp-1210469
11.649295
7.370031
-0.863609
other
Rb12Ba6Ge48O108
174
165
2,446.88
mp-1212505
11.650659
7.391809
-0.905235
other
K12Sr6Ge48O108
174
165
2,368.86
mp-554093
11.909975
7.54976
-7.73048
other
Li18Fe6P16O58
98
165
1,159.36
mp-1209234
9.842058
4.781338
-7.086913
other
Rb4Cr4S8O32
48
165
714.09
mp-1210300
14.352815
5.169505
-7.576818
other
Pr2Zr12P18O72
104
165
1,610.85
mp-1218302
7.345345
11.941916
2.074123
other
Sr2La4Mn6O18
30
165
364.22
mp-1213575
14.324801
5.191483
-7.583692
other
Er2Zr12P18O72
104
165
1,591.65
mp-1195790
8.991643
2.248831
1.908282
other
Na6U12Ga2F60
80
165
1,105.18
mp-1227187
7.408061
12.015921
2.008259
other
Ca2La4Mn6O18
30
165
358.48
mp-760182
12.679747
8.695464
-7.956862
other
Li12V6P16O58
92
165
1,159.61
mp-557734
11.52607
11.094962
-2.577226
other
K2In2W4O16
24
165
457.06
mp-560058
13.078164
6.435512
-7.062258
other
Li18Ga6P16O58
98
165
1,138.91
mp-776590
14.718702
8.016629
-4.884479
other
Li18P16W6O58
98
165
1,229.21
mp-1213567
14.310796
5.184966
-7.576435
other
Dy2Zr12P18O72
104
165
1,589.97