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-1078150
1.76798
2.347831
-3.582768
other
Pd1Br4N2
7
123
182.5
mp-1220041
-8.194969
-6.881193
5.483547
other
Pr1Gd1Zn2
4
123
96.73
mp-1183870
9.47704
12.198937
-0.517451
other
Cr2Ir2O5
9
123
103.43
mp-1216177
-8.512387
-4.221476
2.539402
other
Y4U1Pd15
20
123
345.85
mp-1219346
-9.169216
-4.611958
4.489929
other
Sc1Al1Cu2
4
123
61.08
mp-1224421
-2.415821
0.389277
2.461296
other
Gd1U1C4
6
123
80.62
mp-1208607
-2.996562
-6.753888
1.271702
other
U2As1S2
5
123
1,947.6
mp-1220370
-7.069236
-1.372317
3.424514
other
Nb1Co2Sn1
4
123
60.67
mp-1207264
-3.266696
-2.527587
-3.570172
other
Ho2S2F1
5
123
154.94
mp-1224944
-8.73537
-1.354631
2.687859
other
Ga1Cu4Ni15
20
123
221.94
mp-1120753
-6.04187
-1.887186
1.217108
other
Cs1Fe4As3
8
123
152.23
mp-1185574
7.913312
11.773964
1.835986
other
Eu2Mn2O5
9
123
120.28
mp-1224448
-5.898502
-3.477839
-2.241149
other
Ge1Te4Pb3
8
123
269.03
mp-1225486
-4.281065
-4.029834
-3.879355
other
Er1Ag1Se2
4
123
94.75
mp-1217070
-6.250353
-1.826875
4.068935
other
Ti2Re1Pt1
4
123
61.25
mp-1223896
1.86895
2.597836
-3.705347
other
Hg1Br1N1
3
123
81.39
mp-1207167
-3.059936
-3.018739
-2.251183
other
Bi2O1F2
5
123
136.38
mp-1207368
-2.793326
-8.38209
1.357992
other
Sm2Sb3Pd1
6
123
8,080.94
mp-1207290
-5.932233
-4.257698
1.279758
other
U2Bi1Sb2
5
123
150.12
mp-1209753
-5.458806
-6.268432
0.752207
other
Rb2Mn1Bi2
5
123
237.04
mp-1226604
12.201745
8.89378
1.870624
other
Ce1Al1O2
4
123
51.96
mp-1095457
-8.071426
-5.735322
4.742445
other
Nd2In8Co1
11
123
262.6
mp-1207366
-2.767195
-8.298438
1.393838
other
Tb2Sb3Pd1
6
123
4,059.77
mp-1219416
-8.500263
-2.418271
3.779815
other
Sc5B1Rh15
21
123
316.42
mp-1223789
-7.431978
-5.884512
3.438552
other
Ho1Ag1Sn2
4
123
92.74
mp-1218205
16.192896
9.762442
5.573429
other
Sr1Mg3O4
8
123
87.76
mp-1206328
-2.910077
-7.923647
1.282222
other
Pr2As3Au1
6
123
2,857.38
mp-1209510
-3.855568
-6.693357
1.204423
other
Rb2Ca1As2
5
123
240.31
mp-861587
-8.04656
-5.764729
4.476183
other
Pr2In8Pd1
11
123
273.73
mp-1222282
-4.296773
-4.189525
-3.898559
original
Li1Nd1Se2
4
123
102.13
mp-1099312
-8.090919
-11.55274
6.42071
other
K1Mg6W1
8
123
188.22
mp-979416
12.551226
9.742468
1.230012
other
Ta2Be2O5
9
123
80.23
mp-1222694
1.200921
2.805026
-3.797468
other
Li2Br1O1
4
123
75.05
mp-1207044
0.868655
1.595935
-3.398467
other
Yb2Br2F1
5
123
336.89
mp-1221982
-8.490162
-6.548921
2.456748
other
Mg1Zn4Ag5
10
123
167.12
mp-1208260
-4.012939
-5.602669
1.689751
other
Th2Se2O1
5
123
176.97
mp-1210906
-3.256428
-7.945209
1.061874
other
Na2Mn1Sb2
5
123
748.78
mp-1078003
-8.06649
-3.824277
5.402
other
Dy1Ga5Co1
7
123
117.61
mp-1206574
-6.901
-6.255263
6.227036
other
Sm2Ti1Ge2
5
123
131.38
mp-1216536
10.851414
8.901847
3.148668
other
Tm1Pa1O4
6
123
75.08
mp-1208973
-7.816558
-4.207572
5.363142
other
Sc2Ga8Ni1
11
123
179.28
mp-1247932
-5.871106
-3.45295
-2.144095
other
Ag7Sb7Te14
28
123
820.19
mp-1224988
-8.095017
-6.899657
5.811876
original
Gd2In1Ag1
4
123
102.7
mp-1206475
-2.920964
-8.304165
1.391497
other
La2Ag1Sb3
6
123
3,433.77
mp-1206493
-4.128123
-6.214792
0.973789
other
K2Cd1As2
5
123
192.27
mp-1228060
-3.470848
1.743438
2.948786
other
Ba3Sm1B24
28
123
303.21
mp-1025225
-8.078853
-3.706519
5.387256
other
Er1Ga5Co1
7
123
116.08
mp-1207053
-7.553397
-5.946628
3.597018
other
Pr2Cu3Sn3
8
123
208.71
mp-1227071
11.263271
11.952665
0.14813
other
Ca1Mn3O4
8
123
97.6
mp-1206204
-5.11399
-4.32823
5.29806
other
U2Si3Au3
8
123
157.47
mp-510564
-8.1874
-5.35702
4.328703
other
Nd1In5Rh1
7
123
164.99
mp-1217914
0.50926
1.438259
2.753576
other
Ta1Ti1N2
4
123
41.04
mp-3702
-8.010272
-2.066823
2.973835
other
Fe1Cu1Pt2
4
123
55.07
mp-27243
-0.547005
1.198338
-4.512695
other
K2Pt1Br4
7
123
239.4
mp-1221702
-8.219561
-2.207835
3.373256
other
Mn1Al1Rh2
4
123
55.88
mp-1217670
-8.31851
-6.694378
5.326049
other
Tb2Zn1Ag1
4
123
92.62
mp-1221763
-6.200347
-0.188133
3.42368
other
Mn7Sn1N2
10
123
114.16
mp-1025261
-7.632152
-4.192698
1.333551
other
Mg1P1Pd5
7
123
105.78
mp-1008881
2.896245
-0.621174
-1.734418
other
Mg1Ni1H1
3
123
31.06
mp-1077911
-7.692968
-3.426916
5.155179
other
U1Ga5Os1
7
123
128.03
mp-1206205
-5.297273
-4.551668
5.476806
other
Nd2Si3Pt3
8
123
165.74
mp-1229119
-8.485286
-1.516961
2.743019
other
Al1Ni12Pt3
16
123
190.33
mp-1223927
-8.719973
-5.97487
6.655229
other
Ho2Ga1Ru1
4
123
82.84
mp-1023193
-7.486714
-10.389977
6.679908
other
Ca1Mg6Nb1
8
123
185.03
mp-1220807
-4.511318
-2.724878
-3.51553
other
Na1As1Se2
4
123
89.14
mp-1217680
-8.809875
-6.301861
4.887648
other
Tb2Ag1Pd1
4
123
93.43
mp-1183496
9.564466
8.676585
2.934834
other
Ca2Pr2O5
9
123
144.11
mp-1219830
-7.336504
-6.202847
6.4866
other
Pr3Mg1Al2
6
123
165.81
mp-22772
12.934244
10.3765
2.353071
other
Sr2Nb5O9
16
123
214.94
mp-1219706
2.365108
1.675888
1.892418
other
Pr1Th1N2
4
123
69.54
mp-974861
8.465643
13.626779
-1.393919
other
Mn2Co2O5
9
123
96.84
mp-1186240
11.536993
10.19547
1.298281
other
Nd2Cr2O5
9
123
112.84
mp-1184430
12.175756
10.016727
2.402462
other
Eu2Ti2O5
9
123
116.98
mp-1210597
-2.778338
-7.560085
1.511073
other
Mn3As1N1
5
123
92.34
mp-1207247
1.139102
1.60379
-3.47263
other
Er2Cl2O1
5
123
209.34
mp-1219176
-3.527749
-4.306939
-3.503588
other
Sm2As1Se1
4
123
103.48
mp-1217690
-6.768982
-4.03335
6.214502
other
Tb2Zr1Al9
12
123
225.26
mp-1217699
-8.217523
-6.707885
5.637176
other
Tb2In1Ag1
4
123
101.22
mp-1222273
-4.319863
-4.117716
-3.876821
other
Li1Y1Se2
4
123
93.4
mp-1222231
3.467421
-0.770937
-2.407788
other
Mg13Nb2H32
47
123
426.09
mp-1226732
-3.670759
-4.060796
-2.823097
other
Ce2Te1Se1
4
123
115.45
mp-1096766
1.592905
1.966154
1.725598
other
Ce1Cu1N2
4
123
50.08
mp-1228938
-8.554485
-1.401928
2.671402
other
Al1Cu1Ni6
8
123
89
mp-1210104
3.240855
0.129835
-2.181843
other
Ni3H12Cl6
21
123
239.56
mp-1206361
-2.882476
-7.790605
1.351297
other
Er2Cu1As3
6
123
3,485.29
mp-1206253
-2.956328
-8.340471
1.299653
other
Eu2Bi3Pd3
8
123
1,173.76
mp-1219166
-9.188186
-1.831698
3.785641
other
Sm5B4Rh15
24
123
373.9
mp-1206196
-5.552409
-5.500277
0.715657
other
Sr2Sb3Pd3
8
123
225.98
mp-1223836
-4.816839
-2.67983
-4.100379
other
In1Ag1Se2
4
123
92.34
mp-30493
-8.152403
-3.719892
2.848149
other
Zn1Cd1Pt2
4
123
62.55
mp-646456
-8.009588
-5.890064
4.657501
other
Tm2In8Co1
11
123
256.54
mp-1077185
3.040256
-0.437352
-1.915805
other
Mg1Ti1H4
6
123
46.58
mp-1228972
-8.599936
-1.139683
2.7704
other
Al1Co1Ni6
8
123
87.77
mp-1025212
-7.913302
-3.198874
2.58647
other
In1As1Pt5
7
123
115.2
mp-1226543
12.145745
9.077048
1.893849
other
Ce1Ga1O2
4
123
55.73
mp-1222312
-3.214983
-2.040937
-5.445271
other
Li1Eu1S2
4
123
87.52
mp-10422
-0.632183
0.602363
-0.183442
other
Na1Au1C2
4
123
76.18
mp-1214258
-3.157475
-8.08331
1.988269
other
Ca2Mn1Si2
5
123
753.52
mp-1227032
10.885865
10.674244
0.948431
other
Ca2Mn2O4
8
123
101.96
mp-1102211
-7.848046
-4.243161
5.788664
other
Ho2Ga8Fe1
11
123
199.49