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-759220
13.991721
7.568766
-7.094288
other
Li16Mn8P8O32F8
72
60
784.21
mp-558599
14.066882
7.052814
-6.45776
other
K8Mn8P8O28F8
60
60
821.74
mp-1194885
10.415147
4.322351
-7.087906
other
Na12V4S8O32F8
64
60
804.97
mp-770546
14.218657
7.549307
-6.899498
other
Li8Mn8P8O28F8
60
60
800.57
mp-1205145
10.686765
7.074059
-2.13318
other
Na8Ti4Si16H8O52
88
60
1,081.61
mp-1194697
7.021422
1.251252
-3.935123
other
Ag8B40H48N16Cl40
152
60
2,649.33
mp-1203080
11.237109
4.76215
-6.74076
other
K8Al4S4O16F12
44
60
612.99
mp-1202872
8.262881
1.89877
-0.997682
other
K8B8C8N8F24
56
60
929.57
mp-560219
6.780065
4.934232
-4.403247
other
K16Sb8N12O36F28
100
60
1,621.62
mp-696650
3.028653
3.390182
-4.391043
other
K4H8Au4Cl16O8
40
60
857.32
mp-555002
11.750162
4.14305
-7.497899
other
Li4Er8S8O32F12
64
60
775
mp-24619
10.038206
2.07267
-3.756146
other
Fe4H40N8O4F20
76
60
695.98
mp-1198157
12.355123
5.037655
-5.546961
other
Zn8B8P8H16O48
88
60
900.33
mp-640925
4.662717
2.67106
-3.668189
other
Cu4Hg4C16S16N16
56
60
1,075.3
mp-1204503
8.312569
1.761672
-4.540879
other
Cd4H56C32N8O24
124
60
1,403.01
mp-11165
13.528158
5.192366
-6.851699
other
Na16Mg8P8O32F8
72
60
820.93
mp-1195536
13.409316
6.769323
-7.093739
other
Cs4Li20Mn4P16O56
100
60
1,316.49
mp-1182723
14.244892
7.701209
-5.287544
other
K8Fe8P8O28F8
60
60
1,077.84
mp-758993
14.933514
7.944445
-5.410543
other
Li8Cr8P8O28F8
60
60
794.8
mp-1204117
8.071198
0.558602
-4.513503
other
Be4H48C16S8Br8
84
60
1,126.07
mp-1211929
11.93447
8.474644
-5.302825
other
K8Te4Mo8P8O56
84
60
1,202.54
mp-778018
12.612095
4.77819
-3.444379
other
Li8Cr8B24H24O72
136
60
1,520.8
mp-770642
9.961123
4.880813
-7.360627
other
Li8Mn4S4O16F12
44
60
521.02
mp-699457
12.002202
4.999766
-3.722055
other
Na16Zn8Ge16H32O64
136
60
1,540.91
mp-1200643
6.674706
2.526393
-3.980878
other
K8H8C8S16N8
48
60
967.82
mp-1207565
6.477282
2.77063
-3.949622
other
Zn4H8C16S24N16
68
60
1,191.85
mp-1215083
10.360058
10.366467
-3.607677
other
Ba4U8V8H16O48
84
60
1,427.83
mp-720703
9.184819
2.076483
1.392588
other
Na8U8H8O8F40
72
60
939.85
mp-1196373
13.102353
7.552717
-7.104319
other
Na8Fe8P8O32F4
60
60
836.06
mp-770624
13.085454
7.419735
-7.262918
other
Li16Co8P8O32F8
72
60
756.54
mp-1194940
14.360948
7.470754
-5.448516
other
Na16Fe8P8O32F8
72
60
886.45
mp-560730
8.06477
4.890149
-3.901295
other
H32C4N8Cl8O40
92
60
1,003.09
mp-19304
10.048229
4.703074
-7.350994
other
K8Mn4S4O16F12
44
60
699.21
mp-758798
14.703151
7.860369
-5.898168
other
Li16Fe8P8O32F8
72
60
770.44
mp-8986
8.623872
3.622034
-6.863384
other
Ba8Gd4C8O24F12
56
60
820.25
mp-707055
10.309526
3.275753
-4.149666
other
Na16Ge8H96S16O56
192
60
2,128.25
mp-10448
11.901902
8.711869
-5.282556
other
Tl8Te4Mo8P8O56
84
60
1,257.68
mp-1199718
8.329977
3.236526
-5.734307
other
Mg24H48C56N4O96
228
60
3,626.3
mp-849266
12.459102
4.751758
-3.483378
other
Li8B24H24Se8O72
136
60
1,508.6
mp-651601
13.727596
7.61423
-5.023057
other
K8Fe8P8O28F8
60
60
966.12
mp-8985
8.623464
3.594365
-6.790198
other
Ba8Y4C8O24F12
56
60
810.48
mp-1198868
12.089385
5.136218
-5.279762
other
U4Zn16P8H24O60
112
60
1,199.51
mp-1211268
8.947599
5.0918
-5.544351
other
Rb16Te8H12S32O48
116
60
2,606.79
mp-759202
14.952768
7.919353
-5.537459
other
Li16Cr8P8O32F8
72
60
789.57
mp-24618
9.894363
1.936655
-3.75037
other
Al4H40N8O4F20
76
60
630.05
mp-1213599
8.526361
1.397653
1.038736
other
Cs8Na8Nb8O8F40
72
60
1,327.39
mp-707911
11.708444
5.279459
-5.354292
other
Na8Fe8P24H56O104
200
60
2,165.5
mp-1228408
8.982842
8.935841
2.687336
other
Ba3Sr1Y8Cu4O20
36
6
503.7
mp-1176526
10.187299
8.30665
-7.087824
other
Mn4Fe4Co4P12O48
72
6
865.02
mp-758017
14.16427
7.574314
-6.955562
other
Li4Mn3Co1P4O16
28
6
307.6
mp-2232919
7.889925
9.605114
1.366443
other
Ba2Dy1Mg1Cu4O8
16
6
245.69
mp-2215858
10.655791
12.275345
-3.718894
other
Mg1Ti1V2Cr1O10
15
6
238.99
mp-1235467
13.687831
7.796903
-0.915729
other
Sr2Li1V2Si4O14
23
6
291.14
mp-1223220
10.574389
9.11462
3.005027
other
La4Th2Ta2Cl6O12
26
6
423.73
mp-757068
13.68801
7.680295
-6.898379
other
Li4Cr1Ni3P4O16
28
6
290.99
mp-1176357
9.39882
3.941482
-8.507895
other
Na15Mn6P6C6O42
75
6
959.77
mp-780474
15.560248
6.099696
-2.103691
other
Li6Mn2Fe4B6O18
36
6
371.58
mp-771063
14.755906
7.748069
-5.89197
other
Li4Fe3Ni1P4O16
28
6
298.25
mp-778493
15.455458
5.758994
-2.229232
other
Li6Mn4Fe2B6O18
36
6
375.33
mp-1173197
9.565374
8.77282
3.101693
other
Sr8Ce5Nd3Cu2O24
42
6
732.17
mp-694012
13.644534
4.676584
-1.799968
other
Ca12Y4Al12B16O60
104
6
1,122
mp-1234544
10.764807
10.446177
1.217902
other
Ba2Y2Mg1Fe4O10
19
6
294.09
mp-2229430
11.185775
11.302994
-2.127188
other
K6Mg1V2S2O6
17
6
380.86
mp-753744
12.804272
7.382328
-7.385444
other
Li4Mn1Cu3P4O16
28
6
295.88
mp-676449
12.943402
6.068237
-0.629169
other
Na8Al6Si6N2O26
48
6
800.09
mp-1173431
9.427021
13.002433
-0.648516
other
Nb2Fe2Ni2O8F4
18
6
210.61
mp-2230541
10.454249
3.808741
-4.022162
other
Mg1Cu4H6Cl2O6
19
6
229.49
mp-757423
14.385021
7.987064
-6.509936
other
Li4V1Ni3P4O16
28
6
289.97
mp-2229035
-4.271339
-1.093282
-5.573684
other
Na2Mg1Nb2Cu4S8
17
6
404.71
mp-776070
14.300901
7.413358
-5.492076
other
Li4Ni1Sn3P4O16
28
6
358.7
mp-1173588
9.92087
12.165565
-1.911878
other
Nb2Fe2Ni2O8F4
18
6
320.04
mp-1177409
14.895771
7.946915
-4.97281
other
Li4Fe3Sb1P4O16
28
6
323.38
mp-1176456
10.200906
8.307547
-7.108526
other
Mn4Fe4Co4P12O48
72
6
859.15
mp-532575
10.912329
4.038665
-7.32896
other
Na13Ca7S12O48F3
83
6
1,100.47
mp-2647043
8.275389
0.891143
-4.511906
other
Sn1H6C1N1Cl3
12
6
200.45
mp-774366
15.565806
6.096738
-2.10178
other
Li6Mn2Fe4B6O18
36
6
372.06
mp-1228720
6.87683
9.977841
0.331289
other
Ba8Sr2Yb5Cu15O35
65
6
870.62
mp-1233985
12.003768
7.359043
-3.170058
other
Ba10Mg1As6Cl2O24
43
6
835.27
mp-694970
8.435313
9.659873
1.932165
other
Sr1La7Cu4Sn4O24
40
6
531.34
mp-1176473
10.20122
8.307794
-7.10643
other
Mn4Fe4Co4P12O48
72
6
860.31
mp-1233415
6.900145
10.355044
-0.702442
other
Ba10Mg1Mn6O24F2
43
6
782.52
mp-1218239
7.225566
12.105506
1.838568
other
Sr1Ca5Mn4Ga2O16
28
6
341.88
mp-764415
10.187355
8.311811
-7.098815
other
Mn4Fe4Co4P12O48
72
6
860.3
mp-777585
9.543966
3.785687
-8.51905
other
Na10Fe4P4C4O28
50
6
629.26
mp-1235083
8.757484
10.132224
2.115264
other
Sr1Li1Nd1Co1O4
8
6
114.24
mp-768041
14.971126
7.874619
-5.505217
other
Li4Mn1Cr3P4O16
28
6
311.71
mp-2240071
11.754466
10.480042
2.134889
other
Mg1Zr1Ti1Pb2O6
11
6
188.57
mp-1176500
10.192848
8.30764
-7.096085
other
Mn4Fe4Co4P12O48
72
6
860.61
mp-2231419
9.534915
8.665082
2.651417
other
Ba2Pr4Mg1Cu2O10
19
6
312.54
mp-765840
14.88496
8.410854
-4.293375
other
Li4V3Co1P4O16
28
6
300.28
mp-753896
14.77144
7.655796
-5.881824
other
Li4Mn3Sb1P4O16
28
6
330.96
mp-1235827
8.975586
4.834766
-5.487523
other
K2Li1S2O4F2
11
6
212.63
mp-778859
15.458334
5.752085
-2.233502
other
Li6Mn4Fe2B6O18
36
6
375.14
mp-759618
10.186987
8.307071
-7.084844
other
Mn4Fe4Co4P12O48
72
6
864.96
mp-779006
15.458371
5.758626
-2.22841
other
Li6Mn4Fe2B6O18
36
6
375.98
mp-1076484
11.702436
11.379789
-2.589451
other
K3Na5V2Mo6O24
40
6
490.65
mp-676975
10.311597
11.490723
3.346308
other
Ba3Na7Ti3Nb7O30
50
6
649.09
mp-757170
14.674422
7.531662
-6.307809
other
Li8Mn6Sn2P8O32
56
6
661.18
mp-42163
12.554444
6.108253
-1.798741
other
Ca10Si3S3Cl2O24
42
6
572.92
mp-694954
9.801719
11.146273
3.038798
other
Ca18La2Ti18Mn2O60
100
6
1,155.75