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-611316
8.274824
2.688701
-1.460824
other
As1N1O2F6
10
12
146.46
mp-763878
11.575265
-0.527701
0.321911
other
Li2Mn4O4F6
16
12
198.8
mp-1236143
14.532118
7.816589
-4.892192
other
Li1Nb2P2O10
15
12
183.14
mp-24025
9.088404
3.379798
-4.228975
other
Ni1H12N6O4
23
12
233.64
mp-1174551
3.925333
23.31595
-1.228031
other
Li7Mn2Co3O12
24
12
216.62
mp-2217107
6.421045
13.47128
-2.013623
other
Mg1Co2Ni1O6
10
12
105.09
mp-571425
-0.247113
1.087525
-4.055736
other
Ag2Hg7P8Br6
23
12
591.22
mp-1228338
6.048657
8.635164
-0.377431
other
Ba4Bi3Pb1O12
20
12
341.77
mp-645513
11.590972
11.129085
-3.451706
other
Hf1Tl8Mo6O24
39
12
743.33
mp-1209466
7.974761
7.579189
-4.616254
other
U8Co4S4O54
70
12
1,080.42
mp-1174217
3.488058
22.160883
-1.519452
other
Li5Mn1Co2O8
16
12
143.76
mp-607826
10.518198
10.823662
-3.730541
other
Eu2Mo2Cl2O8
14
12
266.53
mp-707227
9.547383
4.822618
-6.089656
other
K10H6S10O28
54
12
900.8
mp-1221592
5.543383
5.022929
-4.210122
other
Na4Cd2Cl8O6
20
12
439.72
mp-1277563
7.324071
13.805296
-0.985591
other
Li8Ti2Ni6O16
32
12
288.28
mp-1103778
11.699223
11.206735
-2.565481
other
Ho2W2Cl2O8
14
12
251.63
mp-1174581
3.93999
23.037558
-1.30115
other
Li8Mn2Co4O14
28
12
251.88
mp-2232368
7.939843
13.017572
-1.311397
other
Mg1Co4Ni2O8
15
12
152.46
mp-1193998
7.891634
5.677707
-4.876139
other
Ba2Te2S8O16
28
12
622.97
mp-1239037
7.244885
6.802008
-4.271137
other
U2Cu1Ge2O18
23
12
350.1
mp-24068
9.3776
2.555324
-4.205891
other
Mo2H16N4O8
30
12
310.85
mp-17508
11.745086
11.668451
2.077422
other
K2Nb4Fe2O13
21
12
307.88
mp-2219892
9.527166
12.692348
-1.842447
other
Mg1Cr2Fe2O8
13
12
151.03
mp-1197959
11.011215
8.28755
-2.611108
other
Cs4Sb8P4O32
48
12
777.73
mp-2217020
7.319618
11.910039
1.801316
other
Sr8Mg1Mn6O20
35
12
480.43
mp-742859
11.677814
4.619029
-4.558506
other
Fe3P2H16O16
37
12
317.83
mp-1210191
11.329009
4.141934
-7.631202
other
Na1Al1S2O8
12
12
146.86
mp-777446
7.947381
16.35881
-0.458738
other
Li3Mn2Fe1O6
12
12
109.65
mp-1304002
7.082746
13.180094
-1.203977
other
Li8Ni6Bi2O16
32
12
315.48
mp-757593
7.433229
14.010856
-1.542802
other
Li4Co5Sb1O12
22
12
213.77
mp-1202701
11.148438
4.434502
-4.627176
other
Co3P2H16O16
37
12
308.1
mp-32081
13.414781
8.889671
-5.87297
other
Li2Mo4P6O24
36
12
446.97
mp-1192746
11.373862
6.084825
-4.578556
other
Li2As4H6O14
26
12
262.78
mp-754343
9.665499
12.885684
-0.401809
other
Li3Co2Sb1O6
12
12
118.33
mp-753487
7.953509
4.80036
-6.489581
other
Li1Co1C2O6
10
12
119.39
mp-560118
11.55877
11.262143
-3.866904
other
Y2Mo2Cl2O8
14
12
251.76
mp-644101
8.384441
0.677805
-4.443155
other
H16C4I2N2
24
12
290.72
mp-758759
6.879447
13.516349
-1.25927
other
Li6Ti3Ni6O18
33
12
323.08
mp-1181953
6.359706
6.072447
-3.60126
other
Ca2Tl2Cl10O14
28
12
643.14
mp-1311476
7.770854
13.780315
-1.199664
other
Li2Co2Sn2O8
14
12
163.53
mp-1542940
-2.59998
-0.376624
-5.222295
other
Ti2Tl2P2S10
16
12
433.21
mp-1176748
12.542686
7.701012
-1.425565
other
Li1Cu3Si2O6
12
12
115.25
mp-2227540
8.110547
12.735429
-1.67226
other
Mg1Co3Te1O8
13
12
151.96
mp-1104716
7.359214
9.254157
-3.650103
other
K1Cr2Fe1O10
14
12
215.91
mp-1174527
3.964589
23.238138
-1.255491
other
Li7Mn2Co3O12
24
12
214.79
mp-759151
8.112849
12.916039
-0.601205
other
Li5Ni1O3F2
11
12
102.11
mp-2240805
8.574459
10.999796
1.520736
other
Sr3Mg1Fe2O7
13
12
206.61
mp-1306312
12.598704
13.43624
-0.718002
other
Li4Ti2V6O16
28
12
304.81
mp-775413
8.685648
14.791672
-0.886788
other
Li10Ti2Mn18O40
70
12
688.77
mp-1217256
12.715423
10.122431
1.352579
other
Ti2Cr1In3O6
12
12
179.86
mp-1228269
5.988065
8.584629
-0.793877
other
Ba4Bi1Pb3O12
20
12
333.79
mp-1220765
1.764605
1.913352
2.584971
other
Na2Hf6N6Cl6
20
12
353.22
mp-1177306
6.839688
13.259892
-1.3635
other
Li4Ni5Sb1O12
22
12
225.44
mp-756259
8.9184
14.93849
-0.319335
other
Li8Mn10Nb2O24
44
12
518.25
mp-634464
5.743917
-0.176123
-3.102181
other
K3B12H12Br1
28
12
552.06
mp-557269
7.832409
10.39135
-0.934587
other
Ba2Hg3Pd7O14
26
12
382.76
mp-556475
8.250273
9.855158
1.516569
other
K2La2Pd2O6
12
12
199.35
mp-775263
5.924007
13.12888
-1.53776
other
Li6Co1Ni9O20
36
12
346.82
mp-1188508
8.558356
1.936443
-0.147664
other
K4Mo2O4F10
20
12
382.29
mp-1247215
-4.828399
0.287976
-5.317885
other
Mg2Ti1W3S8
14
12
274.11
mp-2228803
10.916877
9.868766
-1.132678
other
Mg1Bi4Mo2O12
19
12
276.6
mp-757382
7.414961
13.60332
-1.171298
other
Li6Nb2Ni6O16
30
12
297.92
mp-1174102
4.26524
22.758743
-1.144374
other
Li6Mn2Co2O10
20
12
178.15
mp-2218649
10.007523
10.716948
-1.554092
other
Mg1Cu2Te2O8
13
12
178.11
mp-1226645
-5.339531
-2.052467
-3.964206
other
Cr8In4Cu6Se24
42
12
917.21
mp-2228471
6.761083
13.360334
-1.807456
other
Mg1Co4Ni1O8
14
12
142.08
mp-1176785
6.154292
13.458912
-2.136988
other
Li1Co3Ni1O8
13
12
138.94
mp-2218420
12.087529
11.55229
1.703433
other
Mg1Ta2Fe2O8
13
12
166.56
mp-1173968
7.875854
16.824682
-0.469856
other
Li6Mn4Co2O12
24
12
223.22
mp-1229327
7.427885
9.568682
1.288144
other
Ba8Gd4Cu12O27
51
12
722.92
mp-2217743
12.657774
11.434895
1.230844
other
Mg1Ti2Mn2O6
11
12
125.79
mp-756324
8.592983
13.801843
-0.849278
other
Li3Ti1Co4O8
16
12
150.37
mp-1174189
7.262663
18.711567
-0.367051
other
Li4Mn3Co1O8
16
12
151.98
mp-1274050
11.870448
13.08421
-1.389594
other
Ca1Mn3V4O12
20
12
214.55
mp-755034
12.239797
11.973574
-0.068111
other
Li3Fe4W1O8
16
12
160.74
mp-2228524
8.656209
14.977483
-0.620774
other
Na1Mg1Mn4O8
14
12
163.15
mp-761730
6.53165
13.613751
-2.09406
other
Li1Co3Cu1O8
13
12
138.23
mp-1228271
8.073233
9.373271
0.833542
other
Ba8Cu4Hg4O17
33
12
581.38
mp-1219246
-7.569381
0.66426
5.1304
other
Sm2Mn2Al2Fe13
19
12
259.37
mp-1212867
11.053726
11.286714
-2.169629
other
Gd2Ag2W4O16
24
12
325.7
mp-19098
9.695077
11.10905
1.283921
other
Ba2Ca1W1O6
10
12
154.8
mp-1206020
-3.855219
-1.683692
-5.423532
other
K2Ce1Cu2S4
9
12
205.19
mp-2229926
9.552787
13.265176
-1.03155
other
Mg1Cr2Fe4O10
17
12
200.95
mp-1105528
11.078747
7.88693
1.29624
other
Pr5As2Cl1O10
18
12
301.28
mp-696951
10.172483
2.013137
-2.096863
other
Fe3H4O2F8
17
12
195.61
mp-1218636
-6.01754
-1.960751
1.378557
other
Sr1Ca2Fe6As6
15
12
257.44
mp-1213720
-1.095408
1.295707
-1.755811
other
Cs2Pr10Os2I17
31
12
1,348.77
mp-1173979
5.332247
20.905201
-0.862731
other
Li5Mn2Co1O8
16
12
139.56
mp-1079632
10.883923
9.447274
2.821529
other
Ba2Ce1Nb1O6
10
12
162.2
mp-1217860
-7.458277
0.745248
4.843962
other
Tb2Ga3Fe14C2
21
12
272.15
mp-2219466
14.12536
7.952286
-1.979021
other
Mg1Nb2B2O8
13
12
137.12
mp-1174084
4.430813
22.58534
-1.052873
other
Li6Mn2Co2O10
20
12
183.71
mp-1104411
1.083017
2.317403
-5.392389
other
Hg3Bi2S2Cl8
15
12
429.18
mp-1210943
-1.050281
1.184295
-1.718732
other
Rb2La10Co2I17
31
12
1,340.92
mp-1228494
6.162584
8.452352
-0.787108
other
Ba2Pr1Pb1O6
10
12
178.26
mp-760200
13.695483
13.168919
-0.818622
other
Li9V6O12F6
33
12
340.6
mp-1235516
11.496017
9.999691
1.680969
other
Li1Y5Mo2O12
20
12
262.92
mp-1193764
7.516127
6.939899
-4.430082
other
U2Mn1P2O22
27
12
475.69
mp-1078269
-3.434217
-1.910443
-5.22654
other
Sr2U1Cu2S5
10
12
220.75
mp-765706
11.120685
13.670074
-0.671311
other
Li4V2Fe2O8
16
12
146.02