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-2218218
12.060762
9.593863
2.320465
other
Nd2Mg1Ti2S2O5
12
139
179.17
mp-557020
8.097279
10.888181
1.261691
other
Sr3Fe2Cu2Se2O5
14
139
218.19
mp-1807788
10.628295
10.898782
0.816778
other
Ba2Tl2Zn3Cr4O12
23
139
337.98
mp-549058
9.191025
2.317813
1.986181
other
Ba4Fe4Se4O2F4
18
139
362.96
mp-1208752
9.128711
9.460499
1.423317
other
Sr2Pr1Cu2Bi2O8
15
139
226.02
mp-1223827
8.721659
1.431074
1.315096
other
K2Na1Nb1O2F4
10
139
160.98
mp-1078216
12.332726
9.139457
2.145916
other
Sr2Ti2Bi2O1F2
9
139
187.73
mp-1079747
12.483811
9.176682
2.344528
other
Sr2Ti2As2O1F2
9
139
160.31
mp-1094045
8.347165
8.312456
1.417697
other
Sr2Cu1Ag2S2O2
9
139
157.59
mp-1228285
9.551505
10.824021
1.764882
other
Ba8Y4Cu1W3O24
40
139
624.2
mp-1208757
9.294424
9.606327
1.438506
other
Sr2Tm1Cu2Bi2O8
15
139
214.99
mp-1048352
7.84358
10.777191
0.541857
other
Ba2Ca3Tl2Ni4O12
23
139
317.99
mp-557200
12.983932
10.528441
2.362738
other
K4Nb11Al2O20F1
38
139
509.28
mp-1209015
8.146184
9.608299
1.257313
other
Sr2Ca2Cu3Bi2O10
19
139
268.75
mp-1094069
8.514563
8.708087
1.528154
other
Sr2Cd2Cu1S2O2
9
139
172.77
mp-2229436
11.094316
10.60643
2.679738
other
Na2Eu2Mg1Ti3O10
18
139
240.96
mp-573069
7.479711
9.707377
0.585926
other
Ba2Ca1Tl2Cu2O8
15
139
239.1
mp-551403
9.116816
2.427357
2.045259
other
Ba4Fe4S4O2F4
18
139
341.08
mp-1310183
7.493551
10.850947
2.036114
other
Sr8La8Mn4Zn4O32
56
139
765.06
mp-1104285
4.240409
2.349105
-3.342769
other
Rb2Ni2C4N4Cl2
14
139
288.65
mp-1208767
9.136403
9.438895
1.431777
other
Sr2Sm1Cu2Bi2O8
15
139
223.82
mp-1211685
1.564761
2.510252
-5.211843
other
K4Re2H1Cl10O1
18
139
471.85
mp-2241579
11.04947
9.447634
1.92175
other
Sr2Mg1Cu1O2F2
8
139
155.77
mp-551219
9.553696
9.364199
1.755452
other
Sr4Mn2Cu4S4O4
18
139
297.36
mp-2232910
11.751994
9.893128
2.422645
other
K2La2Mg1Ti3O10
18
139
257.9
mp-6885
7.387163
9.698317
0.471445
other
Ba2Ca1Tl2Cu2O8
15
139
229.9
mp-1048339
7.908713
11.102856
0.309487
other
Ba2Tl2Zn3Co4O12
23
139
305.41
mp-1813181
7.914769
10.926799
0.220628
other
Ba2Mg3Tl2Ni4O12
23
139
292.08
mp-1208931
9.211136
9.585239
1.418051
other
Sr2Er1Cu2Bi2O8
15
139
217.62
mp-1205425
10.1661
9.0531
2.455642
other
Ba8Ca1Y2U4O24
39
139
678.25
mp-1208753
9.13289
9.578866
1.397896
other
Sr2Y1Cu2Bi2O8
15
139
222.03
mp-505611
8.096534
9.201313
1.305272
other
Sr2Cu2Ni1S2O2
9
139
140.52
mp-1105348
10.812799
7.969756
2.878753
other
La5Cu4P4Cl2O4
19
139
340.28
mp-1208481
8.526547
9.303256
1.149504
other
Sr2Yb1Cu2Bi2O8
15
139
218.2
mp-1232341
-0.247476
2.023203
-3.961119
other
K2Li2Cu1Br2O2
9
139
200.71
mp-1078198
-4.35409
-3.010808
-4.211554
other
Ba2Co1Ag2Se2O2
9
139
184.98
mp-1208840
9.097574
9.493396
1.410672
other
Sr2Ho1Cu2Bi2O8
15
139
218.51
mp-1104942
4.212163
2.290897
-3.260406
other
Rb2Ni2C4Br2N4
14
139
306.07
mp-1214003
8.360064
9.777816
1.734902
other
Ca4Sm2Cu3Cl4O8
21
139
327.98
mp-1047819
11.999188
9.878601
2.096284
other
Ba2Ca3Ti4Tl2O12
23
139
354.89
mp-1208833
8.214915
9.59651
1.55814
other
Sr2La2Tl2Cu3O10
19
139
278.64
mp-549237
9.049923
2.540518
2.107198
other
Sr4Fe4S4O2F4
18
139
305.66
mp-1022730
9.611468
7.937393
0.474607
other
Y1Fe2Bi2Se2O4
11
139
197.93
mp-1103080
-4.467117
-2.11016
0.955377
other
Ba2Ti2Fe2As4O1
11
139
241.48
mp-2232309
8.59269
9.285941
1.06301
other
Sr2Mg1Cu2Bi2O8
15
139
213.25
mp-1218777
9.344153
9.173262
2.52904
other
Sr2La4Mg2Ru1O12
21
139
291.42
mp-1208725
7.698585
10.897395
1.28966
other
Sr6Fe4Ag4S4O10
28
139
444.96
mp-2230016
11.722509
10.008796
1.988805
other
Sm2Mg1Ti3Bi2O12
20
139
276.33
mp-1147635
-3.893549
-1.653007
-5.256015
other
K2Cd2Cu1S2O2
9
139
209.44
mp-1340768
12.597032
10.1565
0.257634
other
Ba2Mg3Tl2W4O12
23
139
349.61
mp-1813048
7.534368
10.168797
0.643775
other
Ba2Mg3Tl2Cu4O12
23
139
300.45
mp-862748
10.82083
8.674239
2.215095
other
Sr2Mn1Zn2As2O2
9
139
166.36
mp-2218226
8.354078
9.476282
0.714158
other
Ba2Mg1Cu3Br2O4
12
139
301.39
mp-2229870
11.918262
10.042201
2.306681
other
Na2Sm2Mg1Ti3O10
18
139
239.76
mp-2218174
8.311099
9.628209
0.83882
other
Sr2Mg1Cu3Cl2O4
12
139
251.62
mp-1103895
10.371565
8.632515
2.894283
other
Sr3Sc2Fe2As2O5
14
139
240.86
mp-1217659
-4.375824
1.390146
2.830303
other
Tb4Y1Ni10B10C5
30
139
330.82
mp-1400076
6.824255
10.971588
1.083745
other
Sr3Co2Cu2S2O5
14
139
209.89
mp-1842679
12.475777
10.408991
0.051166
other
Ba2Tl2Zn3W4O12
23
139
342.46
mp-1353217
9.8859
8.920388
0.735811
other
Ba2Tl2Zn3Sn4O12
23
139
396.28
mp-19045
10.600786
8.37433
2.196731
other
Ba8Mn4Zn8As8O8
36
139
727.14
mp-15900
10.121518
8.371047
2.96428
other
Sr3Sc2Cu2S2O5
14
139
219.46
mp-1811371
10.131909
10.899309
0.832642
other
Ba2Mg3Tl2Fe4O12
23
139
320.47
mp-542197
7.226073
9.74767
0.551043
other
Ba4Ca4Tl3Cu6O19
36
139
516.79
mp-1048549
8.208723
11.283496
1.839339
other
Ba2Ca3Mn4Tl2O12
23
139
349.62
mp-1048584
9.840364
10.99689
0.544222
other
Ba2Tl2Zn3Fe4O12
23
139
321
mp-1232329
-3.579572
-0.966863
-5.208147
other
K2Zn2Cu1S2O2
9
139
180.46
mp-1228979
9.392282
10.66004
3.117168
other
Ba10Ti8Nb1Ni1O30
50
139
674.59
mp-1232337
-4.25536
-1.443313
-5.134706
other
K2Cu1Ni2S2O2
9
139
157.79
mp-1048633
11.844342
10.687588
0.773545
other
Ba2Ca3Tl2V4O12
23
139
351.87
mp-1047595
8.371541
11.447035
1.612894
other
Ba2Mg3Mn4Tl2O12
23
139
337.17
mp-1838903
10.489578
10.731534
1.353153
other
Ba2Ca3Tl2Cr4O12
23
139
347.69
mp-550944
9.190998
2.444086
2.107302
other
Sr2Fe2Se2O1F2
9
139
164.03
mp-1220902
9.750694
11.055625
3.319778
other
Na1Sr2La1Ti4O12
20
139
242.34
mp-505310
7.80759
10.96507
1.374013
other
Sr3Fe2Cu2S2O5
14
139
209.57
mp-1228615
10.640176
10.221208
1.477589
other
Ba1Nb6Bi6Pb2O27
42
139
599.27
mp-1217435
-4.360741
1.392925
2.834098
other
Tb1Y2Ni6B6C3
18
139
197.21
mp-1232330
-3.541156
-1.264323
-5.837348
other
Na2Cu1Ag2S2O2
9
139
148.75
mp-1147747
-0.496983
2.310416
-3.308759
other
Na2Li2Cu1I2O2
9
139
188.68
mp-1841520
9.739217
10.737865
1.076125
other
Ba2Ca3Tl2Fe4O12
23
139
339.38
mp-1208768
9.118562
9.472845
1.417391
other
Sr2Nd1Cu2Bi2O8
15
139
225.45
mp-1080029
9.082455
1.717782
1.832047
other
Ba2Mn2Se2O1F2
9
139
186.84
mp-1188264
10.780222
7.777413
3.08813
other
La5Cu4As4Cl2O4
19
139
358.6
mp-1218439
6.993189
10.053206
0.410624
other
Sr4Tl1Cu2Bi1O10
18
139
255.45
mp-1208972
8.557301
9.279292
1.222922
other
Sr2Eu1Cu2Bi2O8
15
139
226.29
mp-1806359
7.040437
10.081361
-0.759156
other
Ba2Ca1Tl2Cu4O12
21
139
309.53
mp-1048428
9.700044
10.719567
1.351927
other
Sr3Cr2Cu2S2O5
14
139
205.86
mp-557447
7.133634
11.263943
1.326406
other
Ba2Eu3Mn2Cu2O12
21
139
275.67
mp-1809443
7.125806
10.116968
-0.670887
other
Ba2Ca1Tl2Cu4O12
21
139
322.29
mp-1218768
9.802612
11.040955
3.295729
other
Sr2Li1La1Ti4O12
20
139
241.6
mp-1208859
9.175474
9.508103
1.419033
other
Sr2Dy1Cu2Bi2O8
15
139
219.97
mp-1228472
9.639261
10.894944
3.298936
other
Ba2Na1La1Ti4O12
20
139
251.13
mp-1228265
7.247904
9.719645
0.852191
other
Ba4Ca4Cu6Hg2O17
33
139
477.98
mp-1046344
7.780653
11.22225
0.805257
other
Ba2Mg3Tl2Co4O12
23
139
301.93
mp-2229092
11.860498
10.020289
2.334864
other
Na2Nd2Mg1Ti3O10
18
139
241.74
mp-1807035
7.615326
10.713921
0.903051
other
Ba2Ca3Tl2Co4O12
23
139
324.12
mp-1228619
7.028955
11.001298
1.166067
other
Ba4Pr4Fe4Cu4O21
37
139
498.04
mp-2227836
12.134863
9.591876
2.301311
other
Y2Mg1Ti2S2O5
12
139
171.63
mp-1191679
7.963711
9.726911
1.205563
other
Sr2Ca3Cu4Bi2O12
23
139
322.71
mp-555855
8.422089
9.364674
1.206671
other
Sr2Ca1Cu2Bi2O8
15
139
224