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-1207340
-2.868938
-8.195296
1.386869
other
Dy2Cu1Sb3
6
123
5,657.58
mp-1206470
-3.224767
-2.308374
-3.766579
other
Nd2S2F1
5
123
172.82
mp-1221660
-7.107952
-1.850891
5.40995
other
Mn1Al2Cu1
4
123
52.64
mp-1007637
3.298208
-0.611455
-2.345581
other
K1Na1H2
4
123
76.4
mp-1206165
-4.947046
-4.848466
6.27605
other
Dy2Ti1Si2
5
123
119.57
mp-972507
6.244425
11.286228
-0.594679
other
Yb2Co2O5
9
123
101.43
mp-1173426
11.827388
10.561864
2.670733
other
Sr14Nb19O57
90
123
1,266.21
mp-7723
9.064798
0.877938
1.288601
other
Na1Al1F4
6
123
80.68
mp-1103541
-7.899149
-4.193096
5.547851
other
Lu2Ga8Co1
11
123
186.86
mp-862794
11.302277
8.899843
2.670701
other
K2Pu2O5
9
123
158.27
mp-1217560
7.592283
8.39833
-0.20559
other
Tb1Ce1O4
6
123
81.7
mp-1232297
-3.222184
-1.674255
-5.101117
other
Ba1Pd1S2
4
123
101.46
mp-1207244
-3.476809
-5.53284
1.14497
other
K2Mg1P2
5
123
183.66
mp-1224788
-5.142345
-2.935911
-4.302675
other
Ga1Cu1Se2
4
123
75.02
mp-1222274
-2.699027
-2.665008
-5.703385
other
Li1Sm1S2
4
123
87.08
mp-1025366
-7.797531
-3.254991
2.571324
other
Si1Sb1Pt5
7
123
116.16
mp-1221067
-2.806938
-2.614986
-5.200114
other
Na1Ce1S2
4
123
93.41
mp-1017182
-7.987834
-11.599013
6.44533
other
Rb1Mg6W1
8
123
197.59
mp-1207312
-4.890291
-4.982136
6.55229
other
Sm2Mn1Si2
5
123
116.74
mp-1223216
-9.219465
-1.996756
3.74856
other
La5B4Rh15
24
123
388.92
mp-1206359
-5.296234
-4.517267
5.337789
other
Er2Si3Pt3
8
123
166.35
mp-1208372
-7.743151
-6.368283
6.343925
other
Tb9Mg5Ni4
18
123
433.4
mp-1186245
10.453524
8.53225
2.83315
other
Nd2Ho2O5
9
123
164.57
mp-1207314
-2.77686
-8.239449
1.380669
other
Ho2Ag1Sb3
6
123
3,249.92
mp-1078142
-8.004766
-5.638459
4.340369
other
Dy1In5Co1
7
123
153.65
mp-999274
3.299022
-0.804004
-2.397777
other
Rb1Na1H2
4
123
88.66
mp-1229029
-7.961611
-1.47676
2.164094
other
Al3Ni9C1
13
123
143.96
mp-1217880
-5.46276
-3.440375
4.135036
other
Ti16Hg4N5
25
123
507.25
mp-1207240
0.45521
1.432087
-3.223488
other
Sm2I2F1
5
123
239.43
mp-1215216
-6.472931
-3.096883
5.505569
other
Zr1Nb1Al6
8
123
132.69
mp-975140
-3.301089
-4.005309
0.596622
other
Rb1Zn4P3
8
123
164.33
mp-753657
12.843664
10.925028
1.679567
other
Ti1O1F1
3
123
32.24
mp-1220314
11.000491
11.9543
2.525328
other
Nb1O2F1
4
123
63.51
mp-1206867
-7.865424
-3.791074
5.469124
other
Sc2Ga8Co1
11
123
178.11
mp-1025356
-7.969823
-3.106525
2.607536
other
Zn1As1Pt5
7
123
109.99
mp-1207077
-2.949981
-8.319967
1.37122
other
La2Zn1Sb3
6
123
8,710.53
mp-1217556
-5.841477
-4.010242
-1.07985
other
Tb1Er1Te2
4
123
114.85
mp-1218320
2.037257
1.682065
1.656766
other
Sr1Ce1N2
4
123
68.81
mp-1207472
-4.344997
-4.373401
4.169253
other
Zr2Si1S2
5
123
162.6
mp-1206317
-3.008325
-8.299263
1.356301
other
La2Cd1Sb3
6
123
4,143.79
mp-1212335
-4.436316
-4.63218
-1.343826
other
K2Li1Te2
5
123
3,328.64
mp-1214734
-3.920868
-6.138877
5.163984
other
Ba2Mg1Si2
5
123
188.57
mp-1219237
-5.627206
-1.65642
4.274751
other
Si4Mo1W1
6
123
80.4
mp-1207043
0.592751
1.525774
-3.286753
other
Tm2I2F1
5
123
226.85
mp-1216521
-5.56365
-0.759654
2.138377
other
V2Ni1P1
4
123
47.95
mp-1173848
12.132098
11.162201
-1.442397
other
Na14W19O57
90
123
1,166.87
mp-7785
-4.73966
-1.672314
-5.677314
other
Cs1Cu4S3
8
123
152.67
mp-1224798
-7.845928
-1.683243
3.081254
other
Ga2Co1Ni1
4
123
48.69
mp-1226856
-2.189462
0.456644
2.364434
other
Ce3Nd1C8
12
123
184.11
mp-20392
10.470515
10.468671
1.159724
other
La1Ni1O2
4
123
53.46
mp-1078762
-5.394392
-2.916906
-4.333702
other
Rb1Cu4Se3
8
123
161.12
mp-1078092
-8.248934
-5.325609
4.357167
other
Pr1In5Ir1
7
123
167.15
mp-1218915
-5.89011
-3.514654
-2.195077
other
Sn1Te2Pb1
4
123
134.73
mp-1025519
-4.732742
-1.689937
-5.698176
other
Rb1Cu4S3
8
123
142.61
mp-1216528
-3.929092
-1.967925
-5.279073
other
Tl1Bi1S2
4
123
104.16
mp-1228540
-8.18338
-1.467445
2.546941
other
Al2V1Ni9
12
123
130.57
mp-1206336
-3.08805
-8.262435
1.499609
other
La2Ag1Bi3
6
123
5,448.88
mp-1223029
-6.620636
-6.522638
3.255735
other
La1Th1Pb6
8
123
238.89
mp-1222395
-4.495126
-2.587535
-3.495067
other
Li1As1Se2
4
123
80.46
mp-1215463
8.072318
8.370915
0.081829
other
Yb1Pa1O4
6
123
78.71
mp-1101092
-8.006185
-5.829791
4.651258
other
Y2In8Co1
11
123
260.77
mp-1227236
9.800279
8.768423
0.553489
other
Ca1Cd3O4
8
123
106.53
mp-20551
-8.084256
-1.029918
3.352098
other
Ga1Co2Ni1
4
123
46.35
mp-1220329
-6.433408
-1.980966
5.744874
other
Nb1Al6Mo1
8
123
125.01
mp-1217044
-8.120236
-1.583231
2.566554
other
Ti1Al1Ni6
8
123
89.06
mp-1188010
12.389155
9.389048
1.397744
other
Zr2Si2O5
9
123
90.45
mp-22956
1.549986
2.695816
-5.794934
other
K2Pd1Cl4
7
123
204.04
mp-1400159
7.168373
8.824579
-1.626739
other
Al2Bi3O9
14
123
167.62
mp-1407835
9.298302
2.618306
1.801882
other
Ti1Zn1F4
6
123
68.69
mp-1209178
-7.499907
-4.955029
4.368032
other
Sm2Ge3Pt3
8
123
173.54
mp-1214091
0.827836
1.259464
-3.660793
other
Ca2H1Br2
5
123
302.02
mp-1227206
-4.466248
-3.488972
-4.046298
other
Ca1Pb1Se2
4
123
112.18
mp-1206202
-4.521928
-5.583405
1.189369
other
Th2Te2As1
5
123
173.12
mp-753287
9.524958
8.809196
1.277384
other
Ca1Cd1O2
4
123
53.89
mp-27496
11.172535
8.582692
2.344143
other
Y1U1O4
6
123
75.67
mp-556646
9.438774
0.313978
0.731188
other
Rb1Fe1F4
6
123
96.72
mp-1207041
-3.689323
-6.282966
1.181807
other
Th2As1S2
5
123
214.13
mp-20635
-8.164266
-5.336596
4.249345
other
Tb1In5Rh1
7
123
160.02
mp-1025258
-7.688412
-4.192335
1.482309
other
Zn1P1Pd5
7
123
103.4
mp-1224599
2.962638
-0.498166
-1.852343
other
Gd1Y1H4
6
123
72.09
mp-1219408
-8.069612
-2.209361
3.467968
other
Sc5Ir15C4
24
123
344.37
mp-1221548
-8.328975
-2.588975
2.84695
other
Mn1Tl1Rh2
4
123
64.72
mp-1212681
-8.518518
-6.086761
2.834872
other
Eu1Ga4Au3
8
123
161.79
mp-1215589
1.308564
1.5779
2.705618
other
Zr3Al1N4
8
123
92.78
mp-1217252
-5.182969
-3.077947
4.019199
other
Ti6Zn2C1
9
123
172.93
mp-1184711
11.82847
9.450667
-0.332328
other
Ge2Sb2O5
9
123
122.56
mp-1226503
-3.584678
1.79714
2.965472
other
Ce1Sm1B12
14
123
139.91
mp-4513
-7.90275
-4.310435
5.593441
other
Ho2Ga8Co1
11
123
191.96
mp-1018712
-7.826245
-3.753896
4.965158
other
Hf1Ga4Co1
6
123
107.49
mp-5479
8.995129
0.636363
1.404463
other
Rb1Al1F4
6
123
83.42
mp-1209617
-4.6582
-7.037494
2.207755
other
Sr2Ga3Au3
8
123
217.64
mp-863021
9.610393
8.461804
3.232838
other
Ba2Sc2O5
9
123
145.6
mp-1025222
-7.174709
-3.786762
0.59091
other
Zn1Pd5Se1
7
123
109.82
mp-1219718
1.683988
1.45442
2.445434
other
Pr1U1N2
4
123
63.78
mp-1072327
-2.80664
-2.502156
-5.397331
other
Sr2Gd1S3
6
123
236.43
mp-1184487
11.614411
10.159413
1.260504
other
Gd2Cr2O5
9
123
109.68
mp-1102524
-7.284276
-3.84339
0.972133
other
In2Pd8Se1
11
123
179.93
mp-1226600
-2.179728
0.487086
2.41551
other
Ce1Nd3C8
12
123
190.23
mp-1102381
-7.949605
-4.39905
5.582163
other
Dy2Ga8Co1
11
123
193.58
mp-1016559
-8.012821
-11.510272
6.486719
other
Ba1Mg6W1
8
123
194.91