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-2217893
7.873735
8.485729
0.541338
other
Ba2Yb1Mg1Bi1O6
11
2
188.76
mp-1519405
11.243763
10.44873
1.205473
other
Ba2Sr2Y2W2O12
20
2
300.68
mp-1520469
11.324991
10.412178
1.154663
other
Ba2Eu2Y2W2O12
20
2
299.61
mp-778891
12.51048
5.445283
-5.331467
other
Li2V1P4H8O16
31
2
335.8
mp-1205173
2.887397
2.928474
-4.498753
other
Re8P12N8Cl60O12
100
2
2,797.35
mp-1235202
11.306752
7.578983
-2.96758
other
Li1Bi2As2Pb2O10
17
2
309.45
mp-561174
10.231461
9.323926
-1.83204
other
Ba4Cu8Te8Cl8O22
50
2
928.87
mp-1196049
10.474688
9.500958
-4.160627
other
V12H4Pb8Se6O52
82
2
1,161.96
mp-1375010
8.023756
5.154058
-1.68213
other
Sr2Ca2V2P4O16
26
2
347.35
mp-1521197
9.183904
9.132933
2.2081
other
Ba2Ca2Gd2Sb2O12
20
2
297.03
mp-1106362
4.848652
2.991109
-3.687426
other
Te1C4Se4N8Cl2
19
2
383.3
mp-774775
8.450241
5.690324
-7.303971
other
Na4Mn4P4C4O28
44
2
595.83
mp-1218936
9.713089
11.366641
0.576586
other
Sr10Fe3Co2Mo5O30
50
2
612.24
mp-849277
13.024324
6.111133
-5.987123
other
Li4Cu2P6H4O20
36
2
406.35
mp-1221322
10.875846
3.778625
-4.791013
other
Na8P8H20N8O22
66
2
728.79
mp-697924
10.198007
3.12114
-3.922419
other
Mg2Co2H32Cl8O16
60
2
661.4
mp-604964
9.159103
2.22063
-4.549626
other
P4H36C4N16O16
76
2
687.41
mp-1391114
7.818876
5.362068
-2.0805
other
V1Cr1P2O8F2
14
2
173.81
mp-1237121
10.489818
4.543052
-4.291779
other
Na4Ni1H38W6O40
89
2
944.17
mp-560235
12.826402
6.21489
-0.430818
other
K9Sm3Si12O32F2
58
2
925.12
mp-677734
9.652417
5.721348
-4.64291
other
K8P2H10Se6O32
58
2
875.1
mp-2223077
12.159071
10.109374
1.318967
other
Sr2Mg1Ti1Mo1O6
11
2
148.66
mp-624052
5.811135
3.372983
-4.649802
other
Fe4Mo2C20Se4O20
50
2
886.87
mp-774552
12.017124
9.811547
2.374424
other
Li11Y14Ti14S14O35
88
2
1,215.18
mp-1204876
11.811119
4.732918
-5.061276
other
Li2Mn2P6H20O28
58
2
609.85
mp-706652
5.628081
3.282323
-4.680659
other
H2Os6C20Cl2O20
50
2
867.88
mp-1221864
10.003602
11.855132
-3.44507
other
Mn1V4Fe1Pb4O18
28
2
401.86
mp-698046
13.444635
6.703871
-1.045012
other
Na6V2Si8H4O24
44
2
543.41
mp-768672
9.403129
3.852907
-8.621099
other
Li10Fe4P4C4O28
50
2
549.64
mp-1646256
9.865565
4.045179
-7.961276
other
K8V4P4C4O28
48
2
745.19
mp-1517918
10.753915
9.738441
3.014357
other
Ba2Tb2Nb2Sn2O12
20
2
302.71
mp-707041
9.201639
1.744871
-4.229522
other
P2H20S2N6O4
34
2
375.24
mp-1173505
1.379325
2.479882
1.439789
other
Rb8Na2W4N10O2
26
2
555.26
mp-1212507
7.85328
2.51734
-3.64735
other
Nd2H20C42O22F30
116
2
1,353.71
mp-1203262
8.412601
1.946958
-4.384021
other
Si1H12C4N10F6
33
2
311.68
mp-607931
12.725798
5.517625
-1.775897
other
Cs6Na2Li4B4O12
28
2
492.69
mp-1194400
9.505315
1.34067
0.721311
other
Ca4Al2H4O2F14
26
2
305.2
mp-698160
11.820379
4.47111
-4.758358
other
Al6P4H28O30F6
74
2
658.52
mp-1202409
7.793999
0.212743
-4.546746
other
In2Ge4P2H48C16
72
2
915.74
mp-1190652
9.363719
5.451823
-6.264771
other
Eu2Cu1Te2S2O14
21
2
304.41
mp-1227178
12.56556
6.502499
-0.619617
other
Ca4Zr1Ti3Si4O20
32
2
391.3
mp-774575
8.21064
6.352222
-6.121137
other
Na6Ni4P4C4O28
46
2
595.31
mp-25413
9.244121
8.145917
-5.841069
other
Li2Ni2P2O8F2
16
2
175.97
mp-1203102
9.41929
2.706921
-4.544745
other
V2Cu1H18N6O10
37
2
360.35
mp-1218929
10.203315
11.346483
0.561103
other
Sr10Fe5Mo4W1O30
50
2
645.91
mp-1518565
11.29222
10.391642
1.200656
other
Ba2Eu2Dy2W2O12
20
2
300.7
mp-558959
6.270681
3.564481
-3.966212
other
C2S10N10O6F2
30
2
524.23
mp-1519421
11.241754
10.46406
1.19527
other
Ba2Tb2Eu2W2O12
20
2
300.55
mp-1204159
12.163678
4.936435
-5.271497
other
K2Mg1P4H8O16
31
2
374.91
mp-699467
7.848266
1.036621
-4.165276
other
B12H48C4N16O4
84
2
762.17
mp-1212323
8.27859
3.90077
-6.078173
other
K6U2H10C10O24
52
2
903.51
mp-555994
1.456303
2.082156
1.50553
other
Sr6Li2Cr2N8O1
19
2
294.06
mp-603257
8.035879
9.676785
-3.725608
other
Cs2Cr4Cu1H4O16
27
2
420.43
mp-1218676
5.62419
11.284813
-0.148229
other
Sr4La1Fe2Co3O15
25
2
297.41
mp-1177151
9.404976
3.852376
-8.660779
other
Li10Fe4P4C4O28
50
2
548.83
mp-1195724
13.492671
7.321
-0.858233
other
Ca2Mn6Zn2Si10O30
50
2
605.28
mp-1234027
13.233213
6.761038
-0.345107
other
Ca1Ho2Cu1Si4O12
20
2
271.6
mp-1176697
8.425152
6.328515
-6.694312
other
Li2Fe2P2C2O14
22
2
287.58
mp-695965
12.111201
4.935447
-5.232336
other
Rb2Na4P6H12O24
48
2
592.42
mp-756327
9.616717
3.622272
-8.762444
other
Li6Mn2P2C2O14
26
2
297.63
mp-643841
10.683714
6.992903
-6.060567
other
K1V2P2H4O13
22
2
262.01
mp-755383
14.130903
7.323288
-6.313423
other
Li3Fe1P2H1O8
15
2
140.51
mp-762594
12.429752
5.315304
-5.642592
other
Na4In4P8H12O34
62
2
728.06
mp-554058
8.74853
3.494279
-6.047976
other
K6Nd2H12C12O30
62
2
800.52
mp-662720
4.170863
2.995393
-4.326775
other
P12S6N18Cl30O6
72
2
1,639.02
mp-1213484
11.007844
5.378362
-5.404578
other
Fe3P6H14N3O24
50
2
529.29
mp-755739
14.882552
7.909623
-5.510737
other
Li12V4P8H4O32
60
2
595.66
mp-1196551
12.0663
7.088169
-7.106315
other
Rb7Sm1Fe6P8O34
56
2
858.48
mp-557658
12.789349
5.448506
-6.215951
other
Rb2Zn2B2P4O16
26
2
369.13
mp-25416
14.419926
8.900475
-3.47943
other
Li2P2W2O8F2
16
2
201.99
mp-510474
8.355428
3.351913
-5.734272
other
Na2Cu3H8C8O16
37
2
461.24
mp-677680
11.583845
4.2364
-7.987878
other
Li2Mg2Al6S12O48
70
2
863.08
mp-755477
11.330654
7.481137
-7.49033
other
Li4Mn4P4H4O20
36
2
362.13
mp-942701
9.928135
4.869931
-6.81939
other
Li4Co4S4O16F4
32
2
371.5
mp-1203129
11.330906
4.323443
-4.457493
other
Mg1Al2As2H18O18
41
2
363.55
mp-731953
8.108418
5.289979
-2.667465
other
K2Fe1H4S2O10
19
2
237.54
mp-821974
8.930806
5.045454
-3.675902
other
Mn1V2P2H8O14
27
2
355.26
mp-2217979
11.645753
10.672429
-0.456677
other
Mg1Co1Pb2W1O6
11
2
173.38
mp-1180719
7.983588
4.571897
-6.370801
other
Mn4P2C10N2O22
40
2
523.79
mp-1202099
12.030456
4.665833
-5.130996
other
Al6Cu1P4H16O28
55
2
475.92
mp-1203967
7.404346
3.92632
-4.525702
other
K2Mo4C8Cl2O16
32
2
673.01
mp-1217518
5.897317
2.573937
-3.637057
other
Te1H4C2N6Cl6
19
2
387.12
mp-1199637
13.758356
4.155182
-2.214996
other
Sr8Li2B22H2O43
77
2
825.66
mp-758349
12.210782
6.033502
-6.145786
other
K4Fe4P16H16O56
96
2
1,181.87
mp-1519994
10.163686
9.60445
3.425017
other
Sr2La2Eu2Nb2O12
20
2
304.29
mp-698457
8.87187
3.210121
-5.532818
other
Na4Li4H16C8O20
52
2
577.74
mp-559852
13.103346
5.900585
-6.364251
other
Cs2U2Ga2P4O20
30
2
537.06
mp-643666
9.983327
2.112847
-3.424197
other
In2H10N2O2F8
24
2
235.12
mp-677510
10.034635
4.805444
-6.90012
other
Li2Mg2S2O8F2
16
2
204.4
mp-1180472
7.472685
6.589342
-3.821017
other
Na2Ni1H4Se2O10
19
2
297
mp-1198649
12.784368
6.220424
-0.451898
other
K9Y3Si12O32F2
58
2
908.18
mp-2240747
10.239979
8.963289
1.810389
other
Ba2Nd1Mg1Sb1O6
11
2
200.57
mp-769482
8.573953
5.334707
-7.765226
other
Na6Mn4P4C4O28
46
2
617.54
mp-560060
3.081314
2.967769
-4.499234
other
Nd2Sn4P20Cl74O24
124
2
3,581.09
mp-1173601
9.364791
11.399199
0.812691
other
Sr20Mg4Fe6Mo10O60
100
2
1,282.42
mp-1518348
9.43351
9.225826
0.972656
other
Ba2Sr2Bi2Sb2O12
20
2
315.83
mp-1200383
7.814452
0.281282
-4.545241
other
In6Sn12P6H144C48
216
2
3,085.43
mp-1233468
11.546029
9.554252
-0.12164
other
Mg1Fe6Sb10I6O18
41
2
874.73
mp-1196504
10.203667
5.251472
-4.221442
other
K4Cr2Mo12H46O64
128
2
1,520.06
mp-1198219
10.445944
5.378046
-5.281747
other
Zn5P6H14N2O22
49
2
667.57