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-1214648
-3.00823
-1.333133
-5.474564
other
Ba4Sr10B8S26
48
15
1,163.06
mp-1197317
8.320028
2.464421
-1.151368
other
Na4Mn4O12F16
36
15
593.55
mp-733538
5.567748
3.287701
-4.63303
other
Te4Os12C36O36
88
15
1,689.04
mp-974667
8.74383
3.608192
-6.229396
other
Rb4H4C4O10
22
15
331.53
mp-1305934
11.585301
13.624502
-1.455909
other
Li4V6Co2O16
28
15
290.42
mp-1191939
10.676805
3.521267
-3.850126
other
Al2H12I2O8
24
15
297.81
mp-757428
12.993097
6.360782
-6.410524
other
Cd4Si2P8O28
42
15
599.42
mp-1046118
11.752437
11.460584
2.085694
other
Mg4Ta4Fe2O16
26
15
302.06
mp-1211872
10.561863
7.939807
-6.966781
other
K4Co8P8O32
52
15
816.26
mp-1209280
10.926234
11.026926
-3.602555
other
Rb2Ho2Mo4O16
24
15
330.13
mp-558711
13.893817
8.203428
-6.568078
other
V6Cd10P12O50
78
15
988.63
mp-25961
12.067407
7.541532
-7.543024
other
Li2Fe2P8O24
36
15
468.77
mp-1217729
8.1014
2.921164
-1.49718
other
U4Ni4O22F24
54
15
881.45
mp-765568
11.032684
7.783913
-7.199204
other
Li2Ni2P8O24
36
15
476.63
mp-1277730
12.24416
13.562699
-0.872166
other
Li4V6Cr2O16
28
15
300.31
mp-18369
11.315672
11.725684
2.198229
other
Ta4Mn2Zn4O16
26
15
312.52
mp-1046683
10.892951
7.690445
-2.803286
other
Mg4Mn4Si4O20
32
15
335.19
mp-556679
12.503094
6.296245
-0.31098
other
Na4Ca6Si6O20
36
15
489.19
mp-759680
12.532054
6.749052
-1.032121
other
Li2Si4Bi2O12
20
15
240.76
mp-1194640
10.971019
12.614359
-3.615502
other
Mn6V6Ag4O24
40
15
522.07
mp-1191974
12.940306
6.060327
-6.903905
other
Ca2Ge2P4O16
24
15
288.34
mp-571371
1.341085
2.60444
-5.892339
other
Cs4K8Bi4Cl24
40
15
1,349.36
mp-758368
14.271527
7.940254
-5.348459
other
Li2P8W2O24
36
15
453.75
mp-1211301
8.699118
3.624008
-7.07123
other
K2Sm2C4O12
20
15
269.85
mp-554930
-2.979273
-0.234769
-4.786413
other
Nb8Ag4P4S40
56
15
1,358.22
mp-573096
8.63168
3.789168
-7.051937
other
Cs8U2C6O22
38
15
756.81
mp-1214618
7.471174
10.492641
0.674376
other
Ba6Cd2Ir4O18
30
15
455.51
mp-1195620
7.839071
4.997069
-3.868159
other
Li4H8Cl4O20
36
15
384.33
mp-1193116
13.783316
4.254136
-2.230575
other
K2Be4B6O14
26
15
287.88
mp-1176668
13.783227
6.933239
-6.399846
other
Li2Sn2P8O24
36
15
473.9
mp-777356
10.359293
4.563806
-6.572142
other
Li4Bi4S6O24
38
15
574.71
mp-26261
12.61614
7.178736
-7.132903
other
Li4Cu2P8O24
38
15
473.36
mp-24570
12.103241
5.277805
-5.186326
other
Be6As4H8O20
38
15
396.84
mp-1179891
8.48723
4.208251
-5.220263
other
Na2Fe2S4O4
12
15
243.57
mp-542043
9.190246
3.524058
-5.947342
other
K8H12C4O18
42
15
521.94
mp-1195632
-4.20907
-2.580441
-3.387313
other
Er4Tl8P8Se28
48
15
1,406.95
mp-1202249
10.699582
4.143665
-4.172598
other
Na6Np2H28O24
60
15
590.39
mp-1203003
12.53238
4.246022
-3.05908
other
Cs2B10H16O24
52
15
603.46
mp-1210635
11.03572
11.041651
-3.86697
other
Na4Hf2Mo6O24
36
15
474.18
mp-1046744
11.079151
12.010983
1.93365
other
Mg4Nb4Co2O16
26
15
300.51
mp-555303
13.434749
6.199965
-6.813773
other
Li2Er2P8O24
36
15
470.52
mp-1263953
12.307178
7.179338
-1.459812
other
Mg6Fe4Si8O28
46
15
535.85
mp-1291363
10.522663
13.894726
-0.487262
other
Li4Ti2Cr6O16
28
15
296.76
mp-1182730
5.458693
2.607687
-3.382814
other
Ga8Si8C32N8
56
15
1,162.32
mp-23895
11.082253
6.651545
-6.41601
other
Mn4P4H8O20
36
15
372.88
mp-15547
8.903923
0.99442
1.108
other
Na16Zn8Ga8F56
88
15
1,153.66
mp-1311767
7.712132
13.772744
-1.207614
other
Li4Co4Sn4O16
28
15
328.62
mp-1204512
-6.086495
-3.444301
-2.002998
other
Cs8Mn8In8Te24
48
15
1,916.05
mp-774685
8.367387
14.892434
-0.987457
other
Li6Mn10Fe2O24
42
15
443.81
mp-1202232
9.072062
7.837759
-5.456306
other
Li2Mn2P8O28
40
15
562.74
mp-721053
10.040768
4.832777
-5.749874
other
Hg6H8S4O22
40
15
484.26
mp-1046564
12.54518
11.957413
-0.557886
other
V10Zn8Te6O36
60
15
733.88
mp-6440
12.543623
6.606409
-0.74713
other
Ca4Ti4Si4O20
32
15
369.71
mp-557104
13.869021
4.342204
-2.077644
other
Li4Al4B8O20
36
15
419.72
mp-1181299
7.020206
6.35733
-4.233038
other
Mg2U2S4O42
50
15
757.57
mp-753951
13.674538
7.575535
-0.838047
other
Li4Fe2Si4O12
22
15
267.48
mp-1046866
12.333388
11.570313
1.646048
other
Nb4V2Zn4O16
26
15
309.3
mp-1047012
10.839316
11.431502
2.599813
other
Ca4Nb4Ni2O16
26
15
326.42
mp-1045626
14.452858
7.607293
-5.115469
other
Ca2Ti2P8O24
36
15
497.27
mp-721707
8.2149
2.438677
-4.714296
other
H24C12N16O12
64
15
579.93
mp-1228364
8.232263
11.862761
0.223036
other
Ba2Mn4Ru8O22
36
15
429.97
mp-1209133
10.878944
11.390059
-2.01083
other
Rb2Y2W4O16
24
15
334.73
mp-561132
-3.427528
-1.509838
-5.53089
other
K4Ge4Pb2S12
22
15
633.21
mp-744374
11.120986
5.315236
-5.193854
other
Fe12P8H34O54
108
15
1,070.65
mp-720817
10.846332
3.939182
-4.254415
other
Mg4As4H60O44
112
15
1,007.78
mp-17448
7.350478
10.502602
0.910455
other
Ba6Ca2Ir4O18
30
15
444.43
mp-1302478
12.274977
13.315907
-1.047681
other
Li2V6Zn4O16
28
15
302.27
mp-24674
12.213689
4.890315
-5.369882
other
Be6P4H8O20
38
15
359.38
mp-26846
10.020067
8.312784
-6.899911
other
Li2Mn4P6O24
36
15
422.42
mp-1190195
10.568668
11.399031
-2.492985
other
Li2In2W4O16
24
15
292.49
mp-1213319
10.951293
11.324198
-2.002853
other
Cs2Pr2W4O16
24
15
360.99
mp-504353
13.470922
7.001387
-6.427458
other
Li2Sb2P8O24
36
15
467.58
mp-1211298
9.112395
8.0729
-6.082174
other
Mn6Co4P8O40
58
15
711.03
mp-1213681
10.805931
11.349212
-1.989479
other
Cs2Dy2W4O16
24
15
343.23
mp-1200761
7.859948
0.089814
-4.478471
other
Si12H62C20N2
96
15
1,205.51
mp-1208716
11.674946
7.1544
-2.886107
other
Ta2Ni22B8O40
72
15
698.84
mp-558030
2.215497
2.896129
-4.587644
other
K2Mo4Cl14O4
24
15
689.37
mp-1211428
10.240643
7.279908
-6.024212
other
K2Mg4P4O16
26
15
439.53
mp-1046112
11.739875
11.478651
2.163454
other
Ta4Zn4Cr2O16
26
15
311.56
mp-11009
4.730911
2.738586
-3.576053
other
Ca2C4S4N4
14
15
253.5
mp-561315
11.094484
7.623421
-0.307781
other
Cs6Al2Ge4O14
26
15
513.11
mp-722834
12.991603
5.377983
-6.074918
other
Na12P4H4O18
38
15
446.01
mp-736245
7.819626
6.793499
-4.742379
other
La2S8N10O32
52
15
845.96
mp-1188124
-2.421218
-0.433941
-5.478646
other
Li2Al2P4S12
20
15
440.02
mp-24421
7.149893
5.671639
-3.432503
other
Ba2H4Cl4O14
24
15
348.15
mp-1020628
13.142729
5.776931
-6.919061
other
Sr2Ge2P4O16
24
15
292.65
mp-1191221
6.351398
4.470639
-4.219205
other
Co2N12Cl4O4
22
15
405.43
mp-1042954
12.532369
8.013079
-0.857159
other
Mg2Sn2Ge4O12
20
15
293.59
mp-20529
7.278625
10.492843
0.531089
other
Ba6Na2Ir4O18
30
15
458.35
mp-1249297
13.011719
6.438587
-0.444863
other
Sr4Al8Si8O32
52
15
919.71
mp-8989
12.662921
6.788081
-6.794607
other
Na4P4Pd2O14
24
15
327.21
mp-1046134
11.111853
11.751801
2.271266
other
Mg8Ta8Ni4O32
52
15
590.51
mp-768659
9.683794
4.971803
-6.736472
other
Li4Co4S6O24
38
15
447.79
mp-1208149
7.909636
4.264943
-4.600039
other
Th2H12N4O20
38
15
386.79
mp-1209367
10.849377
11.395695
-2.032635
other
Rb2Er2W4O16
24
15
329.59
mp-17902
7.582766
9.954495
-1.109875
other
K6Na2Ru4O16
28
15
459.97
mp-1213804
11.682253
7.153018
-6.925432
other
Ce2P8N2O24
36
15
490.19
mp-26089
12.588646
7.542667
-7.576901
other
Li8Co4P8O28
48
15
622.58
mp-1216831
-5.366494
-2.946487
5.845589
other
U4Si10Ru4Rh2
20
15
327.6
mp-1211299
9.760281
10.634861
-3.776066
other
K2Yb2Mo4O16
24
15
334.07