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-1100602
3.819959
23.172373
-1.344927
other
Li9Mn2Co5O16
32
6
288.6
mp-2227274
2.352973
2.049613
-3.708291
other
Mg1W2Br4O4
11
6
282.98
mp-1236645
7.359689
6.580016
-3.12552
other
Li1Pr2Br2O4
9
6
166.84
mp-2230767
8.574865
14.721089
-1.365278
other
Mg1Mn6O11F1
19
6
219.57
mp-1226181
-5.242582
-2.678811
-4.20808
other
Cu15Bi4Se16I4
39
6
912.98
mp-755441
11.346749
10.295817
3.834709
other
Sr4Ta4N4O8
20
6
269.03
mp-2220202
13.477045
0.562417
1.362553
other
Mg1Fe12O12F12
37
6
438.29
mp-1566976
5.733294
11.769813
0.001231
other
Ba1Sr3Co4O12
20
6
253.83
mp-1100613
4.068022
22.790651
-1.301078
other
Li9Mn2Co5O16
32
6
286.2
mp-720198
7.181954
12.14819
1.772017
other
Ca8Nd8Mn16O48
80
6
926.11
mp-1356795
9.83226
7.472926
-4.624381
other
Zn6Bi4P4O24
38
6
502.2
mp-1229297
-8.232727
-4.722158
4.014345
other
Ce12Al12Pd8Pt4
36
6
749.13
mp-1174095
3.422763
22.400848
-1.539269
other
Li5Mn1Co2O8
16
6
141.26
mp-758178
8.628433
3.68054
-7.303142
other
Li4Cu6C6O18
34
6
355.33
mp-1342713
9.532351
7.926905
-3.789915
other
Mg3Bi2As2O12
19
6
276.34
mp-1233265
9.580678
12.235732
0.552543
other
K4Mg1Mn4O8
17
6
272.9
mp-707515
12.992479
7.255014
-0.594401
other
Mg16Si8H1O32
57
6
566.11
mp-1229301
-7.73441
-4.458116
2.776042
other
Ca16Er8Sn60Pt36
120
6
2,682.57
mp-1217063
-5.217287
0.538326
3.326708
other
Ti7B8Ir2Rh4
21
6
238.11
mp-1223035
7.804202
13.100946
0.649999
other
La1Ho3Mn8O20
32
6
371.25
mp-1221767
-4.689515
-1.14977
-5.640841
other
Mn1In1Cu1S4
7
6
159.75
mp-2228425
12.540883
-0.890611
1.040217
other
Mg1Mn6O6F6
19
6
235.49
mp-1233489
8.663663
10.486689
1.253441
other
Nd4Mg1Rh4O12
21
6
288.54
mp-759569
6.098652
13.465337
-2.043547
other
Li4Fe4Co6O20
34
6
360.19
mp-1218465
7.93204
10.949891
0.868273
other
Sr1Ca3Ru4O12
20
6
239.26
mp-1100566
3.512513
23.535479
-1.460995
other
Li9Mn2Co5O16
32
6
287.92
mp-2230497
8.565146
14.764863
-1.355469
other
Mg1Mn6O11F1
19
6
218.09
mp-1239246
-4.811683
-0.497807
-5.612401
other
Hf4Cr4Ag4S16
28
6
540.57
mp-763205
13.444185
12.651169
-0.472109
other
Li8V4O8F4
24
6
231.98
mp-1175106
3.797138
23.389206
-1.304764
other
Li7Mn2Co3O12
24
6
213.68
mp-2230292
13.25191
0.891108
1.775125
other
Mg1Fe6O6F6
19
6
230.02
mp-1380389
9.878644
7.302299
-5.200014
other
Mg6Bi4P4O24
38
6
514.53
mp-1226694
-8.372292
-4.841767
3.964942
other
Ce3Y3Al6Pd6
18
6
369.94
mp-1234779
11.221103
8.084701
-4.881645
other
Mg1V6H6O18
31
6
381.71
mp-1233577
12.542267
7.91066
0.263638
other
Sm4Mg1H4O8
17
6
248.19
mp-1100611
3.862952
23.081902
-1.343144
other
Li9Mn2Co5O16
32
6
288.37
mp-1100570
3.678344
23.324743
-1.413651
other
Li9Mn2Co5O16
32
6
288
mp-766418
10.799301
8.115685
-7.392588
other
Mn1Fe7P8O32
48
6
578.84
mp-1191502
9.357697
7.663345
-3.914922
other
V2In2Se4O16
24
6
358.67
mp-759556
14.501624
12.452182
-2.352458
other
Li2V6O10F6
24
6
300.25
mp-1178297
12.578623
7.990343
-7.318686
other
Fe3Sb1P4O16
24
6
306.27
mp-1221278
8.364436
11.674677
-0.816643
other
Na3Cd1Rh8O16
28
6
311.25
mp-2230722
8.821516
15.054585
-1.182317
other
Mg1Mn6O10F2
19
6
210.27
mp-1224011
10.580265
11.548072
3.235736
other
K4Na2Nb6O18
30
6
404.23
mp-1227732
6.854218
12.153718
1.483118
other
Ca3La1Mn4O12
20
6
226.35
mp-1220611
-5.014621
0.306311
3.030332
other
Nb3V5B8Ir4
20
6
220.32
mp-753769
9.537602
8.505707
2.894923
other
Sr3Li3La5O12
23
6
340.86
mp-2222932
12.513527
11.110599
-1.759901
other
Mg1Mo2H1O6
10
6
122.67
mp-2230321
13.226385
0.863678
1.762729
other
Mg1Fe6O6F6
19
6
224.9
mp-2217391
9.59946
8.853515
0.305217
other
Na3Mg1Bi1O4
9
6
144.87
mp-2224795
9.201134
13.187462
-1.067927
other
Mg1Fe4O6F2
13
6
148.88
mp-1233894
11.110897
9.441656
2.65653
other
Sm8Mg1Ti4O20
33
6
470.5
mp-1224906
11.185757
7.427326
-2.303249
other
Ge4Pb10S2O24
40
6
686.23
mp-1228883
10.521535
4.416201
-6.79025
other
Ba8Pb4S12O48
72
6
1,066.91
mp-756328
13.728276
7.179109
-6.240673
other
Mn4Sn12P16O64
96
6
1,346.64
mp-1577482
13.915382
8.633829
-5.293529
other
Co2P4W2O16
24
6
300.68
mp-2230552
13.231429
0.838847
1.742161
other
Mg1Fe6O6F6
19
6
236.32
mp-2223644
8.159314
9.822012
0.178204
other
K2Mg1Cu2O4
9
6
161.89
mp-1175309
6.270501
20.363461
-0.443591
other
Li7Mn4Co1O12
24
6
223.29
mp-1223104
10.285582
8.66639
1.885566
other
La3Nd1Ga4O12
20
6
242.69
mp-2230407
10.600533
14.034621
-0.908099
other
Mg1Mn6O8F4
19
6
238.2
mp-1100604
3.985556
22.819275
-1.338268
other
Li9Mn2Co5O16
32
6
287.9
mp-756007
14.451004
7.312347
-5.487504
other
Li3Cu3P2O8
16
6
174.15
mp-850772
6.025765
13.353923
-1.487283
other
Li16Co2Ni18O40
76
6
694.83
mp-1221219
11.267798
11.009814
2.992626
other
Na3Sr1Ta4O12
20
6
243.61
mp-849508
14.813138
5.395045
-2.549844
other
Li5Mn6B6O18
35
6
377.62
mp-775197
13.071708
7.878835
-7.610232
other
Mn3Nb1P4O16
24
6
315.14
mp-1198745
11.528317
6.768469
-6.52612
other
Cd12P14N2O48
76
6
1,017.11
mp-2231020
8.621385
14.831086
-1.383246
other
Mg1Mn6O11F1
19
6
212.7
mp-1234010
1.215413
2.166912
-4.213621
other
Mg1P4Br12O4
21
6
796.71
mp-1239224
-4.834284
-0.465561
-5.476731
other
Zr4Cr4Cu4S16
28
6
538.59
mp-778661
13.805992
7.452615
-4.853191
other
Li2Cu10P4O16
32
6
363.32
mp-2228830
8.831002
15.069518
-1.183126
other
Mg1Mn6O10F2
19
6
211.95
mp-1305942
7.985973
10.810012
2.09866
other
Sr12Nb4Co4O28
48
6
671.98
mp-1233065
10.048447
9.27038
3.097591
other
Y14Mg1Re2O28
45
6
626.73
mp-2232249
8.912924
14.739326
-0.695343
other
Mg1Mn4H2O8
15
6
155.4
mp-2226785
8.234624
14.399949
-1.169011
other
Mg1Mn1Co1O4
7
6
82.42
mp-1227182
7.533631
11.976026
2.068089
other
Ca1La3Mn4O12
20
6
241.42
mp-1205288
12.815413
5.853547
-1.772911
other
Mg48Si34H62O147
291
6
3,024.05
mp-1228040
7.636548
6.497673
-4.473403
other
Ca1U2P2O18
23
6
443.63
mp-2220273
13.472001
0.49956
1.366004
other
Mg1Fe12O12F12
37
6
435.83
mp-775177
9.474221
8.260806
-6.267575
other
Co3Cu1P4O16
24
6
274.44
mp-2227701
11.788873
12.456981
-2.887205
other
Mg1V2Fe2O8
13
6
165.57
mp-1100598
3.824002
23.030794
-1.360359
other
Li9Mn2Co5O16
32
6
289.21
mp-2229330
12.180084
11.536571
1.881507
other
Mg1Ti4Zn2O10
17
6
228.64
mp-1229073
10.512145
4.418533
-6.787893
other
Ba8Pb4S12O48
72
6
1,063.68
mp-1100595
3.953087
22.905424
-1.335557
other
Li9Mn2Co5O16
32
6
288.99
mp-2228934
11.337542
9.44632
2.665552
other
Dy4Mg1Ti2O10
17
6
244.76
mp-1222863
12.002097
9.855139
2.306872
original
La1Y3Ti4O12
20
6
240.04
mp-759292
15.244919
6.030457
-2.351056
other
Li4Fe6B6O18
34
6
356.12
mp-1220286
10.672956
8.557452
2.539565
other
Nd3Gd1Al4O12
20
6
215.51
mp-2230927
5.566963
11.915168
-2.080629
other
Mg1Fe6O11F1
19
6
205.91
mp-1233033
1.17156
2.143291
-4.240283
other
Ca1P4Br12O4
21
6
800.28
mp-1228464
12.092171
6.748646
-4.043826
other
Ba10As4S4O24
42
6
779.45
mp-1177329
6.674309
13.748669
-1.836829
other
Li8Ti4Co14O36
62
6
636.48
mp-2225287
10.328572
2.472252
1.899938
other
Mg1Fe2O2F2
7
6
90.83
mp-1236232
13.480865
7.260921
-5.28805
other
Li1As4P4O16
25
6
370.22
mp-2229015
12.148629
10.868856
2.435695
other
Mg1Nb4I4O8
17
6
336.79
mp-1215584
-4.947555
-2.774318
-4.205183
other
Zn2Ga1Ag1Se4
8
6
199.52
mp-756099
11.587737
8.001319
-8.012991
other
Mn3Sn1P4O16
24
6
305.04