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-1383106
8.164987
10.830632
-0.332109
other
Zn4Cu4O8
16
2
197.55
mp-1191892
6.694008
5.983214
-3.557055
other
Ce2Br6O14
22
2
428.31
mp-1297854
12.558322
13.312373
-1.179414
other
Li4V10O20
34
2
385.57
mp-1217798
-7.673954
0.962337
4.822771
other
Th6Fe66C8
80
2
1,004.83
mp-1174312
7.123378
19.458485
-0.169206
other
Li8Mn6O14
28
2
261.17
mp-1246058
1.432859
1.843692
1.51673
other
Ca8Re2N8
18
2
280.22
mp-1046324
11.142137
10.799171
0.567057
other
Ca4Fe4O8
16
2
239.76
mp-1173506
-4.093475
-0.063522
-3.779244
other
Nb9Ir1S20
30
2
644.32
mp-888651
8.551336
9.782669
2.032032
other
La8Cu3O16
27
2
374.07
mp-756055
5.948738
12.371021
-2.43449
other
Fe6O8F4
18
2
203.14
mp-772666
7.78337
10.087488
-3.950568
other
Li4Cr4O14
22
2
290.4
mp-1246061
1.648045
1.843694
1.409751
other
Sr8Co2N8
18
2
319.84
mp-569330
-0.573589
0.792909
-0.820684
other
Ce8C8Br6
22
2
491.52
mp-1182670
8.072585
5.764618
-2.755297
other
Ca2Sn2O6
10
2
173.27
mp-1191461
7.721014
8.044147
-3.851187
other
P4Pb2O16
22
2
342.78
mp-1246115
2.183699
2.184957
1.49539
other
Mg8Sn2N8
18
2
233.32
mp-1101547
9.811278
7.969164
-6.346642
other
Ni6P8O28
42
2
507.6
mp-1041122
10.221305
9.597162
-0.558804
other
Ca2Sb8O18
28
2
476.28
mp-5065
12.539048
7.092676
-0.182063
other
Al8Si4O20
32
2
292.71
mp-1203927
8.127957
8.289691
-4.015719
other
Mo8N4O30
42
2
717.74
mp-1232043
-4.328357
-4.095597
-3.787917
other
La8Mg4Se16
28
2
971.03
mp-1327009
-5.615306
-5.92256
0.480613
other
Bi26Pt6I14
46
2
1,634.43
mp-757601
6.455539
11.194012
0.579383
other
Ba8Fe8O21
37
2
544.04
mp-1100534
7.158734
19.58815
-0.118135
other
Li9Mn7O16
32
2
296.7
mp-1191309
8.560874
10.449615
-4.225048
other
Ca2V4O16
22
2
363.01
mp-1045981
8.312389
11.24284
-0.214205
other
Mg4Cu4O8
16
2
187.05
mp-1232194
-4.373457
-4.144743
-3.876412
other
Y8Mg4Se16
28
2
885.7
mp-779095
11.62821
-0.270003
1.404895
other
Mn6O2F10
18
2
232.44
mp-653243
5.52264
3.26735
-4.636783
other
Ru8C28O26
62
2
1,074.63
mp-1206760
8.887036
1.794774
1.819552
other
Ba3Mn1F6
10
2
213.78
mp-1101566
10.090763
8.168943
-6.835009
other
Co3P4O14
21
2
266.74
mp-1215396
-8.589697
-0.659667
4.27165
other
Zr4B15Ir12
31
2
349.57
mp-1206101
8.306133
1.373289
-0.46916
other
Ag1Pb1F6
8
2
121.43
mp-665901
1.98535
2.889529
-4.387847
other
Re1Te2Cl12
15
2
465.11
mp-1212121
8.524245
1.535125
-0.070392
other
Li3Rh1F6
10
2
256.69
mp-772149
11.707639
7.389977
0.227223
other
Sm8Ge8O28
44
2
591.26
mp-27314
8.301051
2.394637
-0.988284
other
Sb2Cl2F16
20
2
290.92
mp-1175505
4.249404
19.322256
-1.840676
other
Li9Co7O16
32
2
283.91
mp-1208449
-7.896534
-3.870314
4.467824
other
Tb4Al24Pt9
37
2
625.77
mp-685542
11.410034
11.258179
-2.493217
other
La2W19O57
78
2
1,115.32
mp-560626
9.311755
0.682174
0.075846
other
Ba2Ni7F18
27
2
345.74
mp-743867
11.341449
13.003613
0.998574
other
Ti2Mn2O6
10
2
113.57
mp-1204313
7.520145
6.487942
-4.618042
other
Cu3P6O32
41
2
613.66
mp-14241
-4.588017
-3.107602
-3.909927
other
Tl4Si2Se6
12
2
359.84
mp-1413517
7.855516
5.679585
-1.691093
other
Li8W2O10
20
2
187.54
mp-19368
10.883479
12.256877
-3.411753
other
Sr8V8O28
44
2
641.93
mp-530429
8.558957
1.457209
1.171893
other
Y4Zr12F60
76
2
1,050.45
mp-761163
5.813026
12.489341
-1.438537
other
Na2Ni7O14
23
2
269.73
mp-1396571
7.37185
5.280759
-1.739473
other
Li2Ni4O8
14
2
133.07
mp-1214277
6.350756
5.218727
-4.669109
other
Ce6N8O33
47
2
806.37
mp-1100926
10.239166
12.177972
-3.910823
other
V8Ag8O24
40
2
609.66
mp-760203
5.999873
12.695621
-1.356485
other
Na7Ni10O20
37
2
383.48
mp-540993
0.44061
3.543564
-4.690351
other
Na2Mo12Cl26
40
2
1,008.06
mp-782638
5.916108
12.336858
-2.44432
other
Fe6O8F4
18
2
204.69
mp-1789447
6.739562
12.393697
-1.19297
other
Ca2Ni4O8
14
2
163.6
mp-2219398
12.514367
11.657512
1.962229
other
Mg1Ti4O8
13
2
139.45
mp-1175343
7.043093
19.527668
-0.19969
other
Li14Mn10O24
48
2
444.22
mp-1204820
6.165007
5.427788
-4.447709
other
Y2N6O24
32
2
520.73
mp-558279
10.341007
9.173841
-2.048646
other
Tl4Te6O14
24
2
437.81
mp-1245593
1.312159
2.425328
1.885102
other
Mg8Ru2N8
18
2
216.43
mp-1210040
1.144943
1.788481
-5.24294
other
Na2Dy2Cl8
12
2
300.93
mp-1174316
7.007163
19.770761
-0.148434
other
Li8Mn6O14
28
2
258.84
mp-1333722
9.356322
13.56953
-0.949565
other
Mn13Fe11O32
56
2
657.64
mp-1222112
10.996494
13.366244
-0.198277
other
Mn10Cr8O24
42
2
484.28
mp-641754
12.101206
6.759265
0.327202
other
Ca54Si18O90
162
2
2,231.76
mp-1204346
7.042543
6.42897
-4.236221
other
Fe4S4O34
42
2
644.93
mp-1200693
6.899779
6.181039
-4.001524
other
Ca6As4O36
46
2
679.26
mp-1207335
8.803353
2.780187
1.058192
other
Zr3Co1F6
10
2
496.91
mp-1189208
9.044973
7.82607
-5.22983
other
Cu5P2O12
19
2
213.77
mp-1232229
-3.162572
-2.194488
-5.339767
other
Yb8Mg4S16
28
2
679.39
mp-766688
12.337745
7.327852
-1.762146
other
Mn8Si8O26
42
2
509.57
mp-1212076
8.444551
1.403641
0.72773
other
K3Os1F6
10
2
286.11
mp-757308
12.511966
11.479877
1.924886
other
Na7Ti13O26
46
2
564.64
mp-760938
10.062416
12.274652
-4.600791
other
V6O12F6
24
2
294.06
mp-1194732
11.693005
7.153019
-3.654091
other
Ba8As8O28
44
2
738.71
mp-1246026
0.873265
2.421007
1.785644
other
V6Pb6N10
22
2
367.01
mp-1304400
12.798397
13.113088
-0.875396
other
Na6V10O20
36
2
438.8
mp-1209549
10.596673
10.687918
-3.89063
other
Rb4Mo8O26
38
2
597.89
mp-758162
7.745267
10.831253
1.005185
other
Sr16Ru15O48
79
2
1,006.78
mp-1178323
8.251391
9.855812
2.082984
other
La6Cu6O15
27
2
353.63
mp-607525
-5.591942
-6.183016
0.87422
other
Ba11Cd8Bi14
33
2
1,243.52
mp-756476
14.021235
11.955209
-2.251215
other
V6O6F12
24
2
316.37
mp-1237280
8.930532
2.624217
1.444511
other
Zr3Mn1F6
10
2
198.57
mp-676106
10.455237
9.865141
4.094405
other
Nd1Zr9O20
30
2
340.39
mp-764858
11.075943
11.167603
-2.524315
other
Na6W10O33
49
2
707.04
mp-1274955
9.180669
14.902517
0.078019
other
Li5Mn4O8
17
2
165.25
mp-1210162
9.001592
2.865033
0.924856
other
Nb1V3F6
10
2
446.06
mp-988070
-0.464512
0.954701
-1.669616
other
La24Al12I21
57
2
1,939.41
mp-1103868
7.816014
8.833224
-3.69742
other
Zn1Re2O12
15
2
259.71
mp-1174271
4.214648
19.118767
-1.879235
other
Li7Co5O12
24
2
208.32
mp-2371615
12.880835
10.328705
0.27248
other
Zn2W4O8
14
2
188.2
mp-1246332
1.354395
1.837895
2.250887
other
Ba6Ta6N10
22
2
415.28
mp-1210246
-7.067728
1.572762
-4.25583
other
Na2Mo6Se8
16
2
350.84
mp-1180184
7.011852
6.379321
-4.238077
other
Ni1S2O12
15
2
313.47
mp-5169
11.465741
7.516657
-6.567606
other
Cu8P4O18
30
2
336.74
mp-1100523
7.192436
19.393475
-0.134042
other
Li9Mn7O16
32
2
299.29
mp-760860
6.050912
12.600927
-1.359151
other
Na9Ni7O16
32
2
324.08
mp-1209284
-3.725017
-0.278987
-2.629693
other
Re12Te16Br12
40
2
1,234.4
mp-1193032
6.682892
6.121309
-3.780973
other
Y2Br6O20
28
2
546.12
mp-1003545
7.37732
4.90745
-1.671856
other
Mg1Mn4O8
13
2
152.64