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-1223150
-6.434335
-5.503995
3.048167
other
La8Sn2Bi4
14
122
483.92
mp-3829
-4.897897
-5.060184
0.228811
other
Cd2Sn2As4
8
122
227.45
mp-1232034
-3.299747
-1.990496
-5.501063
other
Eu8Mg4S16
28
122
610
mp-1209263
7.893947
7.782823
-3.911395
other
Rb2As2O8
12
122
224.4
mp-34009
-2.789114
-2.996226
-4.794414
other
Ce2Sm4S8
14
122
310.32
mp-1245538
0.84052
2.538203
1.713425
other
Mn2Zn2N4
8
122
88.58
mp-34293
1.448611
2.229407
1.8544
other
Cs2Ta2N4
8
122
170.93
mp-1102006
-5.699177
-3.180353
3.515861
other
Zr8Co2P2
12
124
225.03
mp-1102542
-5.797935
-3.272836
3.864291
other
Hf8Ni2P2
12
124
216.36
mp-1103031
-5.884804
-3.205406
3.869213
other
Hf8Co2P2
12
124
215.55
mp-1103166
-5.653511
-2.586718
3.576421
other
Nb8Cu2Si2
12
124
197.22
mp-22396
-5.721497
-2.483864
3.605656
other
Nb8Si2Ni2
12
124
194.3
mp-29170
8.475067
1.723146
-0.639296
other
Hg2Au4F16
22
124
345.96
mp-1213732
-7.417347
-4.988008
2.598436
other
Cr2Sn8Au2
12
124
265.38
mp-569026
-4.379682
-1.103025
-3.086773
other
Nb20Se80I6
106
124
3,099.04
mp-22312
-5.783835
-2.354656
3.713026
other
Nb8Fe2Si2
12
124
195.57
mp-1103567
-5.648369
-3.125077
3.560258
other
Zr8Ni2P2
12
124
225.05
mp-1103012
-5.707736
-1.999674
3.452451
other
Ta8Co2P2
12
124
188.5
mp-1102664
-5.908227
-2.920492
3.956822
other
Hf8Fe2P2
12
124
216.71
mp-29169
8.541227
1.626607
-0.568495
other
Cd2Au4F16
22
124
338.54
mp-22444
-5.642015
-1.722422
3.540564
other
Ta8Fe2P2
12
124
190.08
mp-10003
-5.82386
-2.28864
3.696133
other
Nb8Co2Si2
12
124
194.87
mp-1103609
-5.678643
-2.359638
3.454888
other
Nb8Ni2P2
12
124
189.66
mp-1103352
-5.733733
-3.237092
3.855611
other
Hf8Cu2P2
12
124
219.52
mp-581733
-5.689879
-3.186084
3.595232
other
Zr8Cu2P2
12
124
229.18
mp-1103001
-5.634963
-2.041193
3.4363
other
Ta8Ni2P2
12
124
188.62
mp-1103173
-5.727472
-2.193521
3.509471
other
Nb8Fe2P2
12
124
191.54
mp-21447
-5.776794
-2.216485
3.601581
other
Nb8Co2P2
12
124
190.55
mp-11132
-5.887452
-3.530072
-1.737402
other
K2Pr2Te8
12
125
432.57
mp-1193335
-7.756682
-4.9137
4.794771
other
Nd4Ga24Pd2
30
125
586.8
mp-28505
-5.993429
-3.556809
-1.894305
other
Ba2Al4Te8
14
125
508.8
mp-604613
-7.730564
-4.878793
4.917074
other
La4Ga24Ni2
30
125
592.5
mp-780033
10.545051
10.522993
3.272204
other
Tb2Nb2O8
12
125
148.47
mp-22395
-4.735977
-2.898443
-3.317077
other
K2Ce2Se8
12
125
343.67
mp-753976
11.864421
7.179844
-4.163182
other
Gd2As2O8
12
125
148.73
mp-1019596
10.195431
9.388103
3.7168
other
Ce2Zr2O8
12
125
153.94
mp-7199
-5.878902
-3.543485
-1.713881
other
Rb2Pr2Te8
12
125
453.29
mp-567195
-7.771195
-4.814394
4.906745
other
Ce4Ga24Ni2
30
125
554.13
mp-1104966
-5.871842
-3.495069
-1.712769
other
Cs2Gd2Te8
12
125
458.77
mp-638226
-7.720232
-4.890663
4.787992
other
La4Ga24Pd2
30
125
588.45
mp-11010
-5.90922
-3.543481
-1.71129
other
K2Nd2Te8
12
125
430.31
mp-29685
-4.565631
-2.758116
-4.13151
other
Rb2Ag10Se6
18
125
412.45
mp-19914
-5.874743
-3.497513
-1.72339
other
Rb2Gd2Te8
12
125
437.13
mp-1147739
7.368084
9.482168
-0.516451
other
Ba2Cu8O8
18
125
277.07
mp-568885
-7.702703
-4.871027
4.761271
other
Ce4Ga24Pd2
30
125
572.98
mp-1194385
-7.817099
-4.784898
5.002782
other
Pr4Ga24Ni2
30
125
573.64
mp-11011
-5.893708
-3.558528
-1.684801
other
Rb2Nd2Te8
12
125
450.07
mp-5981
-7.644984
-4.884284
4.868298
other
Ce4Ga24Cu2
30
125
567.99
mp-542281
-5.879604
-3.478112
-1.751381
other
K2Gd2Te8
12
125
418.84
mp-1193493
-7.714917
-4.89351
4.803504
other
Sm4Ga24Pd2
30
125
578.43
mp-581913
1.187925
1.12296
1.056053
other
Sr22Ge8N12
42
125
1,012.17
mp-1193902
-7.75426
-4.857309
4.822176
other
Pr4Ga24Pd2
30
125
589.99
mp-864627
-7.813103
-4.789371
5.012934
other
Nd4Ga24Ni2
30
125
552.49
mp-571623
-4.68892
-3.061422
-3.852886
other
Al8Bi4Se16
28
126
781.94
mp-556712
-3.964004
-1.54545
-5.575457
other
Ga8Bi4S16
28
126
696.86
mp-557737
-3.957314
-1.533112
-5.780895
other
Al8Bi4S16
28
126
690.13
mp-571085
-4.611422
-2.852976
-3.747923
other
Ga8Bi4Se16
28
126
777.52
mp-1204657
-5.363997
-7.201045
1.949948
other
K16Tl20Zn2
38
126
1,479.64
mp-1214818
0.735688
1.52911
-3.332015
other
Ba2H1I2
5
123
974.02
mp-37514
7.481073
9.584836
1.197724
other
Sr1Cu1O2
4
123
52.73
mp-1223307
1.199187
2.434448
-5.649368
other
K1Rb1Cl2
4
123
121
mp-1185776
8.278396
11.659937
-0.545873
other
Mg2Ir2O5
9
123
101.64
mp-1221656
-7.483816
-1.623026
4.290334
other
Mn1Al2Ni1
4
123
50.79
mp-1210481
-3.041962
-6.540417
1.319899
other
U2Ge1S2
5
123
2,095.01
mp-21493
-7.598371
-3.684564
5.03674
other
U2Ga8Ru1
11
123
203.89
mp-1183325
11.871879
10.62263
0.856421
other
Ba2V2O5
9
123
136.17
mp-1225268
-3.408358
1.235312
2.789447
other
Dy1Co1C1
3
123
45.13
mp-1226779
-8.401279
-4.477768
2.434162
other
Ce2B1Pd6
9
123
157.01
mp-1223451
8.608043
1.619508
1.929317
other
K1Ce1F4
6
123
100.3
mp-1226574
-7.771433
-8.935781
6.818334
other
Ce1Y4Mg5
10
123
277.55
mp-2894145
-8.21521
-11.330174
6.059853
other
Li1Mg6Mo1
8
123
160.92
mp-862806
-8.048765
-3.90969
5.501812
other
Er4Ga16Co3
23
123
385.69
mp-1228500
-7.578081
-1.67872
2.099592
other
Al4Ni15Sb1
20
123
231.47
mp-1025301
-7.692504
-4.097384
1.553784
other
Ga1P1Pd5
7
123
103.52
mp-1245582
1.043623
2.270752
1.329664
other
Li1Pd1N1
3
123
36.23
mp-1226483
-3.105024
-3.809302
-3.186384
other
Ce1Th1S2
4
123
95.01
mp-1226493
-9.137445
-5.654776
4.694049
other
Ce1Zn2Fe1
4
123
68.3
mp-1219053
-2.842276
-3.112359
-4.950399
other
Sm1Eu1S2
4
123
94.75
mp-1216906
-8.436501
-4.592647
2.685136
other
Ti1In1Pd2
4
123
66.97
mp-1224169
-7.258656
-2.107384
4.423328
other
Hf1Ti1Ru2
4
123
63.8
mp-1219913
-8.547108
-6.459251
5.160651
other
Pr2Cu1Ag1
4
123
99.79
mp-1184418
8.607606
11.889465
-0.708942
other
Fe2Ir2O5
9
123
101.64
mp-1221811
10.509172
12.803471
-0.223688
other
Mn3Ni1O4
8
123
88.14
mp-15780
-7.959792
-3.068516
2.292438
other
Mg1P1Pt5
7
123
106.49
mp-1221728
-7.61385
-2.20382
2.635887
other
Mn1Cr1Pt6
8
123
118.93
mp-1216541
-3.348813
1.190419
2.788291
other
Tm1Co1C1
3
123
43.57
mp-1217016
-7.349656
-1.362833
3.770549
other
Ti1Al1Co2
4
123
49.75
mp-1206613
-0.614508
1.144378
-4.126217
other
Bi2Br2O1
5
123
154.98
mp-1048116
5.88172
11.398088
-0.806426
other
Ba2Co3O8
13
123
180.19
mp-1207532
-2.482007
-8.380316
1.808633
other
Zr2Cu1Sn3
6
123
3,123.94
mp-1063566
-8.097971
-4.513209
5.051027
other
Mg1Sc2Ru1
4
123
80.97
mp-1016329
-7.323712
-10.455289
6.677581
other
Sr1Mg6Nb1
8
123
193.09
mp-1206100
-2.606644
-8.066401
1.644739
other
Sr2As3Ir3
8
123
723.91
mp-1206949
1.001759
1.568209
-3.455578
other
Dy2Br2O1
5
123
221.24
mp-1016650
-7.081889
-10.734205
6.617324
other
Ba1Mg6Nb1
8
123
205.83
mp-12872
-7.980022
-5.629306
4.303095
other
Er1In5Co1
7
123
152.38
mp-1025201
1.498219
2.734287
-5.854624
other
Rb2Pd1Cl4
7
123
228.49
mp-1229010
-3.680993
-1.409768
-5.367774
other
Ag1Sb1S2
4
123
85.24
mp-1186816
8.039683
11.349815
-1.039405
other
Pt2Rh2O5
9
123
111.95
mp-1215888
-5.810055
-4.008648
-1.149329
other
Y1Tm1Te2
4
123
115.19