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-1078848
3.705761
3.588422
-3.90562
other
Os1Br1N5Cl2O1
10
107
177.51
mp-1227908
7.977931
10.407627
1.249807
other
Ba1Sr6Fe3Bi3O16
29
107
455.58
mp-2219084
9.040749
10.62316
1.232323
other
Sr3Mg1Fe2Br2O5
13
107
253.93
mp-1229109
8.221128
1.128494
0.730355
other
Cs2Os1Br1Cl1F4
9
107
231.17
mp-39542
8.322412
1.083734
1.778808
other
K1Rb2Zr1O1F5
10
107
202.49
mp-1218748
6.56885
11.602272
1.405791
other
Sr4La2Mn2Co2O14
24
107
307.76
mp-1095455
4.197282
3.803766
-3.759904
other
Co1C1S1N6Cl2
11
107
141.14
mp-1238368
11.380731
9.638655
0.724315
other
Al2Fe8Hg4O4F2
20
108
464.86
mp-1191764
6.927836
6.72229
-3.864729
other
Cr2N8Cl2O8F4
24
109
487.82
mp-1229269
2.353232
2.820183
-4.840347
other
Ag4Pb8Cl12O4F4
32
109
737.27
mp-703559
10.868258
3.974951
-4.146991
other
K2Sr2As2H32O24
62
109
611.47
mp-1220889
9.756236
11.051902
3.321269
other
Na1Sr2La1Ti4O12
20
111
242.14
mp-2230111
-3.695149
-1.220631
-5.506299
other
Cs4Mg1Ti2Ag4S8
19
111
528.67
mp-1223053
11.058985
7.853388
2.838812
other
La8Fe2As8Ru6O8
32
111
595.34
mp-1215746
-4.678868
-1.316523
-5.93645
other
Zn1Cd1Cu4Sn2S8
16
111
339.74
mp-2239950
-4.680485
-1.221285
-5.850803
other
Mg1Fe1Cu2Sn1S4
9
111
195.53
mp-694876
9.744775
11.057298
3.323842
other
Na3Sr6La3Ti12O36
60
111
722.54
mp-695514
9.7927
11.061585
3.329042
other
Na3Sr6Nd3Ti12O36
60
111
716.77
mp-2239961
-4.731602
-1.188089
-5.804756
other
Mg1Fe1Cu2Sn1S4
9
111
182.57
mp-1522194
7.190516
8.489008
-2.172255
other
Ca4Eu4Mn4Co4O24
40
111
812.7
mp-1226945
-5.230026
-2.666389
-4.072147
other
Cd1Fe1Cu4Sn2Se8
16
111
392.03
mp-1220894
9.804475
11.054383
3.328583
other
Na1Sr2Nd1Ti4O12
20
111
239.85
mp-1219200
11.1038
7.755711
3.03078
other
Sm4Fe3Co1As4O4
16
111
291.38
mp-2228344
-3.989768
-1.193557
-5.636444
other
Rb4Mg1Ti2Cu4S8
19
111
437.39
mp-686526
12.898767
6.355642
-0.508996
other
Na4Ca4Al4Si8O28
48
113
567.46
mp-18129
-3.01207
-2.190928
-5.824352
other
La4Zn2Ga4S12O2
24
113
542.79
mp-695470
9.677536
11.018236
3.368929
other
Na2Sr16Nd2Ti20O60
100
113
1,214.38
mp-1173815
12.857109
6.147435
-0.455565
other
Na4Ca4Al4Si8O28
48
113
765.69
mp-17244
-3.245693
-1.524
-5.618492
other
Ba4Zn2Ge4S12O2
24
113
620.08
mp-698605
12.979524
6.228599
-2.722276
other
Ca4Ga4Bi4B8O28
48
113
646.81
mp-1208502
-3.422945
-1.635167
-5.727746
other
Sr4Zn2Ge4S12O2
24
113
569.6
mp-723002
9.731048
2.136818
-4.295405
other
Ag4H24S2N8O8
46
114
475.17
mp-698375
8.227532
0.89433
-4.447543
other
Cu8H96C40S32N8
184
114
2,306.56
mp-24144
8.869989
3.475708
-6.766498
other
Na10Sc2H8C8O28
56
114
629.28
mp-1195524
8.356929
3.378905
-4.84434
other
Si2H24C16N16O32
90
114
1,105.3
mp-697925
8.612627
3.954356
-6.480677
other
Na10Yb2H8C8O28
56
114
701.25
mp-1195683
8.838763
3.495802
-6.671735
other
Na10Lu2H8C8O28
56
114
682.18
mp-1197551
8.037308
2.412341
-1.07035
other
Te8N8Cl2O2F40
60
114
1,143.83
mp-1522876
10.382451
10.940325
0.922086
other
Ba2Ca2Eu2W2O12
20
118
305.4
mp-1518192
6.392074
11.098155
1.016924
other
Sr2Ca2Nd2Mn2O12
20
118
266.83
mp-1228577
9.31449
9.320177
0.912178
other
Ba4Na2Sr4Sb6O24
40
118
577.19
mp-1520966
5.918915
8.44269
-0.059439
other
Ba2Sr2La2Bi2O12
20
118
336.79
mp-1522238
7.418719
6.391922
-2.757074
other
Na2Pr2Eu2Ni2O12
20
118
263.3
mp-1518014
9.491112
9.129265
2.291922
other
Sr2La2Eu2Sb2O12
20
118
310.85
mp-733822
10.014067
6.016146
-4.247599
other
Sc2Re8H16N2O40
68
118
927.35
mp-1519646
9.886068
9.284988
1.644227
other
Ba2Dy2Sn2Sb2O12
20
118
300.19
mp-559038
8.570816
2.34606
-4.657244
other
Cu4H48C16N24O24
116
118
1,068.42
mp-1519305
8.937731
9.269461
1.710131
other
Sr2Ca2Eu2Sb2O12
20
118
292.17
mp-1521123
5.905132
8.565084
-0.160794
other
Sr2Ca2Y2Bi2O12
20
118
301.69
mp-1517147
9.548344
9.195327
2.195519
other
Ca2Nd2Eu2Sb2O12
20
118
298.15
mp-1516633
6.01347
8.713394
-0.216397
other
Na2Ca2Ce2Bi2O12
20
118
300.44
mp-1523351
9.999555
9.340183
1.64671
other
Ba2Y2Sn2Sb2O12
20
118
298.75
mp-1517010
10.092331
11.231379
0.959114
other
Na2Pr2Eu2W2O12
20
118
273.31
mp-1521666
8.424464
11.092637
0.414739
other
Na2Sr2Eu2W2O12
20
118
276.21
mp-707097
10.151169
5.791165
-4.194295
other
Na2Gd2Re8H16O40
68
118
932.47
mp-1519350
6.304327
10.137807
-0.045154
other
Ca2La2Fe2Bi2O12
20
118
286.07
mp-1518887
5.903892
8.502493
-0.119121
other
Sr2Ca2La2Bi2O12
20
118
308.54
mp-1195727
12.803591
6.170617
-0.578339
other
K8Ca2U2Si8O28
48
118
736.11
mp-1194556
4.069975
3.415159
-4.011846
other
Fe2Ag2Sb2S8N12
26
118
459.41
mp-1522289
11.348464
9.522193
2.707207
other
Sr2Ce2Eu2Nb2O12
20
118
293.8
mp-1517172
11.295914
10.349435
1.154754
other
Ba2Sm2Eu2W2O12
20
118
304.67
mp-1518829
10.400848
10.902176
1.012513
other
Ba2Sr2Eu2W2O12
20
118
315.14
mp-1518554
8.877708
11.261491
0.407547
other
Na2Ca2Eu2W2O12
20
118
280.64
mp-1181427
4.882052
3.333757
-3.968641
other
Fe2Ag2As2S8N12
26
118
659.26
mp-1518710
8.051979
9.376559
0.888738
other
Sr2Ca2Eu2Sb2O12
20
118
286.31
mp-1518582
9.391999
9.133976
2.208042
other
Sr2Ca2Nd2Sb2O12
20
118
298.46
mp-1519227
10.431914
9.190303
2.233711
other
Sr2Ce2Eu2Sb2O12
20
118
308.59
mp-557748
8.070689
2.314347
-1.387249
other
Sb8Ir8C16O16F48
96
118
1,705.44
mp-1520712
6.246117
9.72564
0.030369
other
Sr2Ca2Cr2Bi2O12
20
118
265.54
mp-1516899
9.707034
11.43854
0.036912
other
Na2Pr2Cu2W2O12
20
118
247.13
mp-1523005
9.919161
9.741987
3.584341
other
Sr2Ca2Gd2Nb2O12
20
118
289.14
mp-703326
9.862207
6.235866
-4.24803
other
In2Re8H16N2O40
68
118
951.74
mp-1518993
9.391172
9.173858
2.135618
other
Sr2Ca2Nd2Sb2O12
20
118
285.9
mp-1519956
10.011095
11.159253
0.952635
other
Ba2Sr2Ca2W2O12
20
118
308.7
mp-729075
4.998443
2.804709
-3.868161
other
Sn20C24S36N8O8
96
118
2,480.32
mp-2228629
7.629574
11.025273
1.928616
other
Sr4Mg1Mn2S2O6
15
115
248.36
mp-1272613
9.089433
11.619093
1.192448
other
Sr2La2V2Fe2O12
20
115
244.15
mp-1223264
11.118114
7.88879
3.018647
other
La2Fe1As2Ru1O2
8
115
149.23
mp-1223274
-2.916798
-2.558195
-5.180618
other
La2Bi2S4O1F1
10
115
222.09
mp-2215783
10.678242
12.252644
-3.706045
other
Mg1Ti1V2Cr1O10
15
115
237.12
mp-2227301
11.801868
9.657702
2.426368
other
Na2Pr2Mg1Ti2O8
15
115
187.4
mp-2228735
10.779659
10.164623
1.342915
other
Sr4Mg1Fe2Br2O6
15
115
272.29
mp-2230509
8.523786
10.405393
-2.791392
other
Mg1Cr2Ag6Cl2O8
19
115
312.04
mp-1048660
7.699851
10.806715
1.396456
other
Sr4Ca1Fe2S2O6
15
115
265.16
mp-2230127
13.090261
8.15713
-0.888109
other
Mg1Ti2Si2Ag4O10
19
115
258.94
mp-2232182
11.811069
9.739721
2.326953
other
Na2Gd2Mg1Ti2O8
15
115
183.54
mp-1228050
8.753284
11.151055
1.178198
other
Ba3Sr1Ca2Mo2O12
20
115
303.13
mp-2228701
12.042006
11.249636
-2.271578
other
Mg1Fe2W2Cl2O8
15
115
274.33
mp-2232337
11.223024
10.173388
2.665055
other
La2Mg1Ti2Ag2O8
15
115
249.87
mp-2221129
8.979403
10.613527
1.568679
other
Sr4Mg1Fe2S2O6
15
115
243.78
mp-2232178
11.544435
9.593855
2.337776
other
K2La2Mg1Ti2O8
15
115
234.31
mp-1048650
6.732147
10.69128
0.904155
other
Sr4Ca1Co2S2O6
15
115
257.77
mp-2232954
-4.806306
-1.229974
-5.7879
other
Mg1Fe2Cu6Sn1S8
18
115
328.35
mp-1235419
10.030389
11.945251
-4.06161
other
Li1Ti1V2Cr1O10
15
115
225.86
mp-2232270
7.831513
10.354843
1.33397
other
Sr4Mg1Ni2Cl2O6
15
115
282.74
mp-1219165
11.12274
7.77238
3.025494
other
Sm4Fe3Co1As4O4
16
115
295.2
mp-2232221
10.597037
10.272438
3.027048
other
La2Mg1Ti2Ag2O8
15
115
217.46
mp-1048638
7.613169
10.870612
1.360837
other
Sr4Mg1Fe2S2O6
15
115
252.56
mp-2230747
12.405856
8.887832
0.501011
other
Na4Mg1Ti2Ge2O10
19
115
259.55
mp-2228621
8.856503
10.668451
1.912645
other
Sr4Mg1Mn2S2O6
15
115
244.18