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-1033689
16.375
9.374113
6.201937
other
Rb1Mg6B1O7
15
99
208.86
mp-1033646
16.083391
9.708393
5.638358
other
Rb1Hf1Mg6O7
15
99
226.76
mp-1031286
16.470863
9.542359
7.191898
other
K1Rb1Mg6O7
15
99
194.9
mp-1040168
16.987925
9.940371
6.286594
other
K1Hf1Mg30O31
63
99
647.5
mp-1033624
16.430416
9.413673
6.632819
other
Rb1Mg6B1O7
15
99
181.98
mp-1033679
16.454952
9.650071
6.610696
other
Rb1Hf1Mg6O7
15
99
220.72
mp-1039762
17.316074
9.787927
6.909282
other
Rb1Mg30B1O31
63
99
614.72
mp-1228387
-3.674344
-1.557306
-5.124629
other
Ba2Co1Ni1S4
8
99
173.4
mp-1225219
-7.966582
-5.083478
4.275138
other
Eu1Al8Si1Au4
14
99
266.96
mp-1031332
16.611145
9.349142
7.632892
other
K1Li1Mg6O7
15
99
172.88
mp-2226121
10.405663
9.317879
0.312619
other
Mg1Fe1Bi1O3
6
99
113.27
mp-1031160
15.844986
9.544192
5.00403
other
Li1Mg6B1O7
15
99
150.73
mp-1031453
16.551134
9.36457
7.609143
other
K1Na1Mg6O7
15
99
197.23
mp-1031273
16.521841
9.464142
6.420022
other
K1Mg6B1O7
15
99
173.94
mp-1033590
15.510452
9.732685
4.671326
other
Na1Hf1Mg6O7
15
99
165.79
mp-1079416
10.683521
10.673486
2.509174
other
Zr1Ti1Pb2O6
10
99
142.12
mp-2218863
11.736607
10.716022
1.117112
other
Sr3Mg1V2O7
13
99
184.24
mp-1247680
6.87215
12.18524
1.328633
other
Ca8Mn7Cr1O23
39
99
444.98
mp-1031127
16.461853
9.290143
7.592154
other
Rb1Li1Mg6O7
15
99
203.02
mp-1223427
-5.744604
-1.738197
0.843244
other
La2Ni4Ge1P3
10
99
159.32
mp-1225406
-5.445679
-4.101943
5.154991
other
Eu2Cu4Si3Ge1
10
99
169.97
mp-1218493
8.025642
10.825213
2.121237
other
Sr12Ti6Fe2O28
48
99
633.69
mp-1223692
12.880321
10.462337
2.40221
other
K3Nb8O10F4
25
99
386.62
mp-1217227
7.601016
7.157041
-4.512226
other
U2Cu1P2O20
25
99
444.04
mp-1079292
7.110805
8.314094
-2.408874
other
Cu1Pb2Cl2O4
9
99
180.91
mp-1031024
16.801968
9.492216
7.434341
other
Cs1Li1Mg6O7
15
99
176.98
mp-1030967
15.754295
9.764638
4.937895
other
K1Hf1Mg6O7
15
99
187.99
mp-1228025
7.95682
2.126788
1.07396
other
Ba3Sr1Cl4F4
12
99
280.66
mp-1182245
7.033793
11.000669
1.271775
other
Ba1Nd1Co2O5
9
99
121.82
mp-1237057
10.42368
11.304408
2.581002
original
Ca1Ti2Pb1O6
10
99
124.48
mp-1099242
16.358131
9.583677
7.347283
other
Cs1Li1Mg6O7
15
99
193.85
mp-1033223
14.679736
9.554218
3.981083
other
Hf1Mg6B1O7
15
99
164.22
mp-2225597
10.912043
10.615118
0.085999
other
Mg1Fe1Bi1O3
6
99
96.47
mp-1223223
10.331123
8.116128
2.825299
other
La2Br1Cl1O2
6
99
125.4
mp-2210773
12.315899
9.683942
1.661546
other
Ba1Mg1Ti1O3
6
99
97.06
mp-1039741
16.9953
9.943227
6.285494
other
Na1Hf1Mg30O31
63
99
637.58
mp-1040077
17.255634
9.770974
6.817065
other
Li1Mg30B1O31
63
99
612.35
mp-1040107
17.658907
9.793944
7.678452
other
Na1Li1Mg30O31
63
99
624
mp-1217355
11.241467
8.836197
2.747473
other
Th2Zr1U1O8
12
99
162.86
mp-2227479
10.301787
10.648636
-0.491894
other
Mg1Co1Bi1O3
6
99
94.54
mp-1031178
16.411377
9.505053
5.93435
other
Li1Mg6B1O7
15
99
154.69
mp-1031421
16.471151
9.350499
7.64734
other
K1Na1Mg6O7
15
99
198.16
mp-2228257
10.920446
10.496354
0.560363
other
Na1Mg1Ru1O3
6
99
93.88
mp-1031116
16.505091
9.520407
6.010914
other
Li1Mg6B1O7
15
99
148.64
mp-1031661
15.952225
9.443025
6.886652
other
K1Rb1Mg6O7
15
99
239.83
mp-1228519
7.24033
9.719911
1.159272
other
Ba2La1Cu3O7
13
99
184.86
mp-1224737
-7.947566
-1.766337
2.934726
other
Fe2Cu1Ni1Pt4
8
99
110.13
mp-1031065
16.282784
9.772534
5.708092
other
K1Hf1Mg6O7
15
99
206.05
mp-1225028
9.068546
10.756896
-0.314251
other
Fe1Co1Bi2O6
10
99
138.24
mp-1223511
-8.225257
-5.364834
3.23187
other
La1Gd1Cu4Sn4
10
99
214.43
mp-1217969
8.447627
2.045479
2.355777
other
Sr1Sm1Cl2F2
6
99
115.48
mp-1205663
9.932803
10.30569
3.758442
other
Sr2Zr1Ti1O6
10
99
136.4
mp-1228508
8.550844
11.252116
0.382908
other
Ba2Fe4Bi2O11
19
99
264.08
mp-1030924
16.544405
9.334007
7.700428
other
Na1Li1Mg6O7
15
99
158.42
mp-1031144
15.236964
9.71414
4.402979
other
Li1Hf1Mg6O7
15
99
166.25
mp-1033572
15.163928
9.682825
4.374044
other
Na1Hf1Mg6O7
15
99
167
mp-1033656
16.394663
9.420156
6.540089
other
Rb1Mg6B1O7
15
99
183.14
mp-1247695
7.270777
12.153874
1.63853
other
Ca8Ti1Mn7O22
38
99
453.6
mp-1222977
-5.534062
-2.437232
5.920564
other
La1Y3Mn4Si4
12
99
228.85
mp-2240893
7.479495
11.280478
1.265098
other
Sr3Mg1Fe2O7
13
99
182.49
mp-1031596
16.517702
9.576584
7.336124
other
Cs1Na1Mg6O7
15
99
193.57
mp-1042556
10.736132
11.244461
-2.094004
other
Ba1Cu1W1O5
8
99
132.48
mp-1309013
8.239283
10.909448
2.217036
other
Sr6Ta2Co2O14
24
99
334.31
mp-1031103
14.82495
9.656063
4.035177
other
Li1Hf1Mg6O7
15
99
161.35
mp-1030968
15.332744
9.712175
4.528134
other
K1Hf1Mg6O7
15
99
177.98
mp-1031026
16.91794
9.469727
7.537003
other
Rb1Li1Mg6O7
15
99
164.96
mp-1031240
16.565655
9.429065
6.599191
other
K1Mg6B1O7
15
99
174.12
mp-1223072
10.250074
8.185281
2.843913
other
La4Br1Cl3O4
12
99
244.9
mp-1106129
10.095237
8.923
-1.363706
other
Bi4Te2Br2O9
17
99
304.62
mp-1223332
-5.505485
-2.447004
5.863896
original
La3Y1Mn4Si4
12
99
243.22
mp-2240575
11.645469
9.725441
2.082163
other
Ba2Mg1Ti1O4
8
99
160.51
mp-1031039
16.402195
9.670341
6.229762
other
K1Hf1Mg6O7
15
99
204.55
mp-1030743
16.485243
9.496871
6.063737
other
Na1Mg6B1O7
15
99
155.72
mp-1223395
8.773026
9.53198
2.33519
other
La5Dy3Cu4O16
28
99
374.02
mp-605060
11.371375
7.901408
2.979566
other
Ce2Fe2As2O2
8
99
144.11
mp-1030910
16.834614
9.398556
7.825378
other
Na1Li1Mg6O7
15
99
158.49
mp-1031107
15.412467
9.743676
4.545265
other
Li1Hf1Mg6O7
15
99
159.84
mp-1222800
10.255577
8.171392
2.770634
other
La1Gd1Cl2O2
6
99
113.24
mp-1098107
16.462503
9.372491
7.565613
other
Cs1Na1Mg6O7
15
99
215.65
mp-1031012
16.679104
9.372762
7.802314
other
Na1Li1Mg6O7
15
99
161.06
mp-1042220
9.596601
10.807909
-1.43903
other
Ba1Cu1Re1O5
8
99
121.06
mp-639347
7.873
11.155667
1.066402
other
Ba1Eu1Fe2O5
9
99
122.83
mp-1030747
16.645897
9.491704
7.461688
other
Rb1Na1Mg6O7
15
99
178.59
mp-1033591
15.315713
9.712841
4.49804
other
Na1Hf1Mg6O7
15
99
172.39
mp-1031307
16.719622
9.359991
7.63215
other
K1Li1Mg6O7
15
99
172
mp-557322
10.029344
8.910796
-1.532297
other
Bi4Te2Br2O9
17
99
318.17
mp-1038412
17.204336
9.82923
6.829022
other
Hf1Mg30B1O31
63
99
635.26
mp-2222270
5.969582
11.357864
0.385221
other
Ba1Pr1Co2O6
10
99
120.24
mp-1031383
16.477877
9.361073
7.461822
other
K1Rb1Mg6O7
15
99
213.01
mp-550998
10.339992
9.678261
0.440703
other
Ti1Zn1Bi2O6
10
99
140.36
mp-1033722
15.999567
9.7035
5.520702
other
Rb1Hf1Mg6O7
15
99
224.78
mp-1223467
-7.339764
-2.682478
2.78093
other
La2Ni4Ge3P1
10
99
169.88
mp-1042186
7.739936
10.81639
0.415931
other
Ba1Al1Cu2O5
9
99
106.6
mp-1099221
16.397205
9.444901
6.52545
other
Cs1Mg6B1O7
15
99
188.58
mp-1072191
1.49662
2.397575
-3.600981
other
Sn1C1I3N1
6
99
213.52
mp-1222815
10.448517
7.983831
2.554562
other
La1Gd1Br2O2
6
99
131.03
mp-1222768
-5.555277
-2.358589
5.821057
original
La1Y1Mn2Si2
6
99
115.95
mp-1033833
16.376364
9.616425
7.056838
other
Cs1Rb1Mg6O7
15
99
209.76
mp-1211557
-6.070868
-3.45962
-1.849439
other
K1La2Ag3Te8
14
99
430.29
mp-2226666
10.306208
9.382784
-0.086447
other
Mg1Co1Bi1O3
6
99
105.29