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-1196128
8.439754
2.814053
-2.680871
other
Li1Al1H8C16O8F36
70
82
854.92
mp-2232061
8.765625
3.708229
-6.934934
other
Ba4Na1Mg1Cu1C2O10
19
82
331.13
mp-740871
5.353251
3.362536
-4.119479
other
Ba4Zn4C16S16N16O28
84
82
1,706.02
mp-1196193
8.076159
0.827265
-4.369081
other
Fe1Sn4H24C8Se10N2
49
82
892.93
mp-2218118
8.442675
1.312119
-4.282078
other
Mg1Ag1Mo1H4S4N1
12
82
195.92
mp-1199595
8.078341
0.818476
-4.362143
other
Mn1Sn4H24C8Se10N2
49
82
867.2
mp-698410
8.3007
0.794234
-4.41082
other
Mn1Ge4H24C8S10N2
49
82
684.25
mp-1196087
9.011073
2.661045
-4.718853
other
Li1H12Au1C4S4O12
34
82
456.57
mp-1204843
8.023099
3.762252
-3.730034
other
Rb4C8S8N4O20F24
68
82
1,083.85
mp-736330
8.256785
0.79134
-4.422108
other
Fe1Ge4H24C8S10N2
49
82
671.3
mp-1199306
8.075638
1.723623
-4.436409
other
Co4H64C16S16N32Cl8
140
86
1,744.98
mp-723036
8.090589
1.726081
-4.437102
other
Fe4H64C16S16N32Cl8
140
86
1,743.47
mp-1199490
8.08707
1.70227
-4.419829
other
Mn4H64C16S16N32Cl8
140
86
1,865.91
mp-699261
8.089121
1.715795
-4.430505
other
Cd4H64C16S16N32Cl8
140
86
1,882.46
mp-709352
10.402844
3.154609
-4.805564
other
Na8Sc8P16H48C16O52
148
86
1,779.38
mp-731948
4.370206
2.730802
-3.493379
other
K8Re8C24S8N24O8
80
88
1,483.21
mp-1198947
5.174697
3.195194
-4.086233
other
Fe4Hg8C24S8N8O16
68
88
1,562.53
mp-559978
8.121622
2.710905
-2.151825
other
Cu2As4S16N16O8F56
102
88
1,514.97
mp-1201527
8.324018
6.200614
-5.601835
other
Cu4Si4Pb4C4Cl1O28
45
87
616.92
mp-17718
12.416977
7.313899
-0.766474
other
Cs1K1Na2Li12Si4O16
36
87
399.09
mp-42599
10.312591
11.511746
3.19358
other
Na4Y4Ti4Nb4O24F4
44
91
557.9
mp-684861
7.90925
9.360637
-0.745777
other
Na4Yb4Ti4Nb4O24F4
44
91
558.22
mp-43055
10.812621
11.106625
3.045609
other
Na4Ce4Ti4Nb4O24F4
44
91
570.96
mp-42897
10.336496
11.42945
3.24266
other
Na4Pr4Ti4Nb4O24F4
44
91
573.93
mp-43134
10.309815
11.460238
3.224941
other
Na4Nd4Ti4Nb4O24F4
44
91
570.3
mp-738635
9.976586
7.496838
-6.151749
other
Na8Zn8P16H8Cl8O56
104
92
1,453.98
mp-720721
8.869364
2.180559
-4.45066
other
Si4H72C16N32O16F24
164
92
1,570.45
mp-1195389
8.315088
1.430146
-4.496441
other
P8H64Pb4C24N8O24
132
92
1,608.53
mp-1199720
8.299095
0.856326
-4.50522
other
Ge4Sb8H64C16S24N8
124
92
1,743.98
mp-42981
10.28119
11.480707
3.151355
other
Na4Gd4Ti4Nb4O24F4
44
95
563.22
mp-43048
9.105975
10.994491
1.956733
other
Na4Eu4Ti4Nb4O24F4
44
95
567.94
mp-1199530
8.131081
1.611424
-4.475833
other
Cu8H96C24S24I8N48
208
96
2,999.48
mp-1197738
8.116444
1.674711
-4.452109
other
Cu8H96C24S24Br8N48
208
96
2,780.75
mp-1199396
8.115987
1.686621
-4.445886
other
Cu8H96C24S24N48Cl8
208
96
2,678.76
mp-1228046
8.385425
10.675435
0.857372
other
Ba1Fe1Cu1Pb2Cl1O5
11
99
182.99
mp-2232641
11.478745
10.260681
1.160446
other
Sr4Mg1V2Fe2As2O6
17
99
291.21
mp-1227981
8.16011
9.00338
1.588904
other
Ba1Sr3Co2Cu4S4O4
18
99
294.5
mp-2222848
10.177345
10.222734
1.485183
other
Ba1Y1Mg1Co1Cu1O5
10
99
142.33
mp-2230626
11.018808
10.118833
2.773864
other
K2Na2Eu2Mg1Nb2O10
19
99
304.91
mp-2217420
11.12281
10.078878
1.490203
other
Ba1Y1Mg1Cr1Cu1O5
10
99
155.76
mp-2231300
11.584135
9.765926
2.422425
other
K2Na2La2Mg1Nb2O10
19
99
307.28
mp-2230401
11.649323
9.695877
2.378124
other
K2Na2Nd2Mg1Nb2O10
19
99
303.57
mp-2240198
9.244613
10.291344
1.590237
other
Ba1Y1Mg1Co1Cu1O5
10
99
165.79
mp-1228289
8.328845
10.770511
2.338616
other
Ba4Nd4Ti3Mn1Cu4O22
38
99
493.44
mp-2242083
8.733216
9.428551
1.896369
other
Ba1Y1Mg1Cu1Bi1O5
10
99
180.79
mp-2239848
12.106112
9.802223
1.659008
other
Ba1Y1Mg1Ti1Cu1O5
10
99
146.77
mp-2227680
12.009278
10.45053
2.453638
other
La1Mg1Nb2Cu1Cl1O7
13
99
195.18
mp-1236302
10.729128
9.434967
-0.795705
other
Li1Bi3Pb1W1Cl1O8
15
99
237.71
mp-2230291
11.638883
9.670253
2.385013
other
K2Na2Pr2Mg1Nb2O10
19
99
306.25
mp-1228462
8.193936
8.769245
1.503648
other
Ba3Sr1Co2Cu4S4O4
18
99
308.14
mp-2222863
8.335514
9.763358
1.673305
other
Ba1Y1Mg1Cu1Ag1O5
10
99
146.94
mp-1218787
7.481195
10.576953
1.313865
other
Sr4Ce1Y3Cu4Ru2O20
34
99
429.85
mp-2228464
8.685248
9.641411
1.442114
other
Sr2Y1Mg1Tl1Cu2O7
14
99
230.24
mp-2230196
11.18716
10.082881
2.340269
other
Ba2Tb2Mg1Ti2Cu2O11
20
99
274.21
mp-1218475
10.322302
9.633227
2.574676
other
Sr4Mg1Ti1Fe2As2O6
16
99
271.47
mp-2231484
11.694695
9.75741
2.371818
other
K2Na2Sm2Mg1Nb2O10
19
99
299.48
mp-2222919
10.781355
10.226508
1.337233
other
Ba1Y1Mg1Fe1Cu1O5
10
99
145.95
mp-1236216
10.586933
9.624902
-0.900411
other
Li1Bi3Pb1W1Cl1O8
15
99
237.73
mp-1228757
7.960644
10.665045
2.010139
other
Ba2Ca1Eu2Ti3Cu2O14
24
99
304.92
mp-721094
10.295971
11.133322
3.14807
other
Na5Ca2Ce3Ti8Nb2O30
50
99
608.85
mp-1219593
10.7082
11.019329
3.101978
other
Rb1Nd1Ti1Nb1O6F1
11
99
168.49
mp-2241433
8.102403
10.469987
1.767534
other
Sr4Mg1Mn2Cu2S2O6
17
99
294.23
mp-2223891
10.722711
10.13447
1.560177
other
Ba1Y1Mg1Mn1Cu1O5
10
99
150.49
mp-1218622
8.358814
10.429767
2.340925
other
Sr4Ce1Sm3Nb2Cu4O20
34
99
451.19
mp-1228548
9.33766
10.66233
2.954583
other
Ba2Ca1Tb2Ti3Cu2O14
24
99
303.19
mp-1218736
8.01045
10.646338
1.918105
other
Sr6Ce2Y4Fe3Cu3O24
42
99
570.34
mp-2218929
12.110013
10.284759
2.322406
other
La1Mg1Ta2Cu1Cl1O7
13
99
192.24
mp-1235925
10.625357
9.353061
-0.709066
other
Li1Bi3Pb1W1Cl1O8
15
99
237.22
mp-1223617
13.339952
6.751214
-0.798986
other
K4Mg8Al4Fe4Si12H8O48
88
1
1,055.55
mp-1220956
13.346863
5.798209
-2.381863
other
Na8Zr3Ti3Mn2Si8O34F2
60
1
727.11
mp-1202345
13.488411
4.659624
-7.079558
other
Na12Li4Y6Zr6P12C4O68
112
1
1,367.48
mp-1198245
7.893557
0.295479
-4.497183
other
Ga1Si6Bi1H54C18N4Cl4
88
1
1,124.27
mp-1223435
12.792209
6.514076
-0.585168
other
K1Na1Ca1Mg5Si8O22F2
40
1
472.46
mp-1227900
12.61337
6.563897
-0.441122
other
Ba1Li1Mg2Al1Si3O10F2
20
1
248.1
mp-1221508
14.234155
4.318334
-6.939225
other
Na11Ti1Nb2Si4P2O25F1
46
1
564.69
mp-1200090
9.167583
7.380639
-4.740286
other
Na7Ti1Nb2Si4P2O29F1
46
1
591.24
mp-1195233
9.474841
1.73041
-4.35776
other
Al2Zn2B10H40C10N10O20
94
1
877.33
mp-561052
13.271483
5.603831
-3.929734
other
Ba4Na2Ca1Ti3Si4S2O26
42
1
585.52
mp-1229246
8.119768
0.610293
-4.396763
other
B2P6H60Ir2C18O3F8
99
1
1,071.33
mp-1225303
11.410894
5.41521
-5.585386
other
K1Fe8P8H16N7O32F8
80
1
919.33
mp-1223878
12.583179
5.689251
-6.342313
other
K2Al1Fe1B2P4H2O18
30
1
348.11
mp-1223630
12.632136
6.497956
-1.058576
other
K1Ba1Na2Ti3Fe1Si4O18
30
1
394.01
mp-1221134
12.727342
6.568452
-0.467495
other
Na1Ca2Mg5Al1Si7O22F2
40
1
468.28
mp-1223590
12.648073
7.666157
-0.783442
other
K1Mg1Mn2Al1Ge3O10F2
20
1
281.95
mp-1235507
8.361485
9.274912
1.405021
other
Ba1Sr1Li1Nd1Tl1Cu2O7
14
1
210.11
mp-1235732
8.221906
9.391431
1.456838
other
Ba1Sr1Li1Nd1Tl1Cu2O7
14
1
207.1
mp-1195311
12.590776
6.596374
-0.425635
other
Ca2La2Mg2Al4Si6H2O26
44
11
478.33
mp-1210199
12.861346
5.272918
-6.051829
other
Na2Ca2Al2P2H2O10F4
24
11
269.27
mp-1198212
8.12901
3.360257
-3.412672
other
Cs2Mo4H4C14S14O42F42
122
11
2,119.43
mp-707176
12.406867
5.012472
-5.363946
other
Na2Ca4Al4P4H10O22F8
54
11
550.98
mp-1202925
8.228981
1.841876
-4.402506
other
Sb4H10C6S2Cl12O10F6
50
11
992.34
mp-707491
9.271347
4.286568
-4.352001
other
Re12H24Pb6C4S4N8O52
110
113
1,608.52
mp-1218684
7.229074
10.305173
1.244887
other
Sr4Ca1Y1Fe1Cu4Pb1O14
26
119
350.83
mp-1199737
12.898635
5.967257
-0.804912
other
K12Al8Si12B2H8Cl2O48
92
114
1,319.4
mp-1200379
10.172942
7.178817
-2.299525
other
K4Ba2Na4Ti8Mn1Si16O66
101
12
1,379.19
mp-1182654
11.494461
5.528089
-5.686438
other
Ca2Mn2Al8Si2P6H10O40
70
12
871.56
mp-1199709
13.102074
5.363214
-5.741716
other
Ca2Mn2Al8Si2P6H10O40
70
12
681.49
mp-1202327
7.157153
7.984247
-3.363033
other
Al1Cu4Sb1Pb6S2Cl4O26
44
12
647.06
mp-1200316
7.28883
0.292724
-3.905468
other
Sn4Hg1B44H124C24N8Cl2
207
121
2,683.61
mp-698491
9.451699
3.457191
-6.268275
other
Na2Ca4Al8H16C8Cl2O40
80
129
849.41