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-1444809
9.193419
14.21454
-0.658488
other
Mn2Al2O6
10
194
103.62
mp-1213912
-7.019472
-5.677562
4.115148
other
Ce6Sn6Ge4
16
194
436.92
mp-11022
10.540913
9.223196
2.950733
other
Sc2Ag2O4
8
194
110.83
mp-1193832
-5.907315
-3.264766
3.876052
other
Zr18Fe2Mo8
28
194
568.77
mp-1445377
12.467254
10.362293
0.589326
other
Y2Mo2O6
10
194
144.31
mp-1246033
0.272138
2.540395
1.896809
other
Fe2Co6N6
14
194
133.56
mp-1078547
-8.220127
-4.112633
2.961568
other
Y2Sn2Pt4
8
194
161.6
mp-569807
-0.41338
0.830082
-3.919963
other
Rb2Ti2Br6
10
194
315.62
mp-1018900
-7.80124
-6.64619
3.8669
other
Pr2Cu2Pb2
6
194
149.19
mp-7937
-3.843783
-0.398784
-4.15144
other
Na2Nb2S4
8
194
143.96
mp-8122
-5.289866
-4.006543
5.56403
original
Er2Cu2Si2
6
194
107.27
mp-1078726
-2.914305
-2.585608
-5.655965
other
Cs2Ho2S4
8
194
229.56
mp-28607
-4.391485
1.267589
3.188604
other
U2Re2B6
10
194
113.24
mp-1018821
-7.70487
-7.278824
5.476584
other
Nd2Tl2Zn2
6
194
148.13
mp-22960
-5.893517
-5.885225
0.967793
other
Yb2Cu2Bi2
6
194
146.53
mp-9956
-5.629065
0.025946
3.269165
other
Al2Cr4C2
8
194
87.1
mp-20315
-4.100621
-0.671145
3.020754
other
Ti4In2C2
8
194
120.32
mp-972199
-2.931131
-2.573766
-5.611337
other
Cs2Tb2S4
8
194
234.41
mp-1185209
-4.157033
-5.228384
5.335486
other
Li8Zn4Si4
16
194
249.82
mp-1224372
-5.807231
-1.698316
3.949093
other
Hf4Si2Mo6
12
194
209.14
mp-11217
-5.370858
-6.038369
0.736118
other
Sr2Ag2Sb2
6
194
174.05
mp-541899
-0.441176
1.355411
-4.764099
other
Cs2Cd2Br6
10
194
351.64
mp-1100323
-3.327021
-1.622336
-5.564501
other
Ca4Sn4S12
20
194
501.38
mp-1220700
-6.316675
-2.548296
4.34882
other
Nb4Al6Ir2
12
194
186.15
mp-2647093
-4.646382
-1.239915
2.734725
other
Nb4B2S2
8
194
115.26
mp-1207420
-5.739088
-3.051066
3.739443
other
Zr18Mo8S2
28
194
575.57
mp-1025124
-7.294833
-1.336937
2.737802
other
Fe2Co2Sn2
6
194
83.19
mp-1018669
-7.463233
-6.836226
5.058509
other
Ce2Tl2Zn2
6
194
150.8
mp-997158
7.324322
13.597766
-1.893272
other
Co2Au2O4
8
194
87.72
mp-31148
-6.071897
-6.692497
3.022442
other
Ba2Zn2Sn2
6
194
191.21
mp-13159
-6.890597
-4.812093
5.508943
other
Gd4Zn4Ge4
12
194
246.98
mp-1087532
-3.012914
-2.524805
-5.650275
other
Cs2Lu2S4
8
194
221.29
mp-1206319
-0.664597
1.228712
-4.77457
other
Rb2Co2Br6
10
194
298.4
mp-1018753
-7.554198
-7.222154
5.240929
other
La2Tl2Cd2
6
194
170.15
mp-16733
-2.948496
-0.240136
3.305418
other
Sc4Ga2C2
8
194
139.35
mp-16245
-5.871795
-5.471866
0.667352
other
Ca2Sb2Au2
6
194
154.3
mp-540991
-6.444121
-2.091357
1.062955
other
Ba2Ni18As10
30
194
436.26
mp-30332
-5.480262
-6.276911
1.04192
other
Ba2Ag2Bi2
6
194
205.25
mp-14793
-7.476461
-9.248753
5.134771
other
Mg4Si2Pt2
8
194
134.3
mp-1019280
-6.149076
-7.11315
3.074719
original
Sr2Zn2Pb2
6
194
181.15
mp-1018822
-8.130889
-6.38166
5.395774
other
Nd2Zn2In2
6
194
146.74
mp-1180658
7.592182
9.468884
-0.962904
other
K4Ti4O12
20
194
281.09
mp-28955
1.996741
2.290121
1.613216
other
Mg6B2N6
14
194
177.83
mp-542750
-9.189378
-4.435229
3.952496
other
U4Cu20Sn4
28
194
435.77
mp-23004
1.39998
2.563652
-5.929212
other
Cs2Mg2Cl6
10
194
284.73
mp-1245438
0.119407
2.045517
2.273947
other
V6Cr2N6
14
194
153.15
mp-1194469
-6.050284
-3.117151
3.954091
other
Zr18Re8P2
28
194
563.44
mp-1207973
-7.59117
-4.351007
3.694687
other
U2Ga2Au2
6
194
118.75
mp-3642
10.620614
9.156407
3.042266
other
Sc2Cu2O4
8
194
102.27
mp-1245706
0.498898
2.686975
1.556474
other
Mn2Ni2N4
8
194
71.27
mp-1079867
-6.516095
-6.051182
4.579559
other
Li4Pr2Ge2
8
194
161
mp-29986
-0.798868
0.804898
-1.376743
other
La4Al4I2
10
194
297.64
mp-754469
11.283465
8.232162
2.934558
other
Er4Te2O4
10
194
187.72
mp-555198
12.494102
13.124866
-1.410514
other
Na2V12O22
36
194
409.29
mp-1077233
-8.563369
-6.278687
2.98158
other
Sm2Sn2Au2
6
194
150.33
mp-1245519
0.571937
2.021252
2.309674
other
Hf2Co2N4
8
194
79.81
mp-570351
-6.781174
-6.502083
2.309103
other
Na8Sn12Au4
24
194
611.91
mp-31147
-4.078559
-5.381797
5.111364
other
Ba2Zn2Si2
6
194
162.44
mp-505212
5.293952
3.420938
-0.861021
other
Cs6Au2O2
10
194
378.55
mp-570419
-2.376375
0.138543
2.525392
other
Zr6Al6C10
22
194
268.06
mp-1018668
-7.466485
-6.955829
5.042217
other
Ce2Tl2Cd2
6
194
157.6
mp-1072823
-8.007042
-5.362787
3.371403
other
Lu2Cu2Sn2
6
194
125.1
mp-1212934
-7.032875
-4.424545
5.344975
other
Er4Zn4Ge4
12
194
233.63
mp-1232372
-3.351582
0.827182
2.832915
other
Sc2B2C2
6
194
53.88
mp-645504
-6.217931
-7.100749
4.193059
other
Yb46Mg8Cu14
68
194
2,038.99
mp-1103423
-5.501774
-1.84638
0.928267
other
Er4Ni4P4
12
194
195.53
mp-8683
-4.526063
-5.78976
0.522768
other
K10As4Au2
16
194
547.67
mp-1095307
-6.164338
-4.794551
0.889668
other
Ce4Sb4Au4
12
194
317.82
mp-864942
3.091516
-0.709755
-2.037927
other
Mg6Tc2H14
22
194
209.33
mp-4476
-5.252476
-4.132747
5.630969
other
Ho2Cu2Si2
6
194
108.78
mp-1206855
-7.252524
-1.447922
2.718323
other
Fe2Co2Sn2
6
194
86.32
mp-1214565
-6.450007
-6.326558
1.990697
other
Ba10Sn18Bi12
40
194
1,345.94
mp-1079893
-4.549817
-2.692961
-3.427157
other
Ba2Ti2Se6
10
194
264.79
mp-1252068
12.553969
7.517321
0.570612
other
K2Al22O34
58
194
615.13
mp-27918
-7.962781
-1.838274
2.987332
other
Sc6Si8Ni22
36
194
453.5
mp-1207430
12.415666
8.975124
2.648082
other
Zr18W8O6
32
194
573.72
mp-997010
7.556448
9.56714
-1.340254
other
Tl2Ag2O4
8
194
130.4
mp-19729
-5.428648
-5.040118
0.519649
other
Eu2As2Au2
6
194
142.64
mp-10485
-5.06526
-6.074077
0.800307
other
Ba2Li2Sb2
6
194
194.05
mp-22156
-3.376609
-0.421819
2.814571
other
Hf4In2C2
8
194
140.18
mp-16336
-6.890158
-0.22806
4.953042
other
Zr4Fe6Si2
12
194
175.28
mp-1078811
-3.986824
-0.673907
2.891694
other
Nb4Ge2C2
8
194
116.02
mp-1220716
-6.804637
-1.233821
3.996642
other
Nb4Ga2Co6
12
194
165.57
mp-3597
8.464334
10.687339
1.22471
other
Ba4Ru4O12
20
194
278.85
mp-3098
12.47445
7.694323
-0.089696
other
Al2Cu2O4
8
194
79.07
mp-1077900
-7.541803
-4.828734
3.752968
other
Ce2Ni2Sn2
6
194
133.55
mp-755004
9.318263
8.649958
0.127294
other
Cs2In2O4
8
194
140.78
mp-866833
-3.381733
-1.599607
-5.612329
other
Ca2Sn2S6
10
194
247.75
mp-1219280
-6.570826
-0.718145
3.17898
other
Si2Ni6Mo4
12
194
144.48
mp-1206451
-1.345167
0.893121
-1.138982
other
Nd4Co4I2
10
194
250.85
mp-12947
-8.938026
-5.459859
4.564553
other
La2Mg2Cu4
8
194
165.89
mp-1193397
-5.967996
-3.201346
3.855253
other
Zr18Ni2Mo8
28
194
568.04
mp-13220
-9.634479
-4.663585
3.972221
other
Pr2Mg4Cu18
24
194
349.8
mp-22292
-5.382541
-5.488219
0.651174
other
Eu2Cu2Sb2
6
194
148.55
mp-505562
11.036728
13.302456
-0.272549
other
Cr2Cu2O4
8
194
87.48
mp-997003
9.589323
9.161432
2.432369
other
La2Au2O4
8
194
154.74
mp-1212995
-8.47396
-4.561961
4.433671
other
Dy6Cu22Si8
36
194
529.24
mp-5910
-5.388146
-5.525651
0.657515
other
Ca2Cu2Sb2
6
194
140.3
mp-8119
-5.264915
-4.123763
5.583178
other
Pr2Cu2Si2
6
194
124.19
mp-1238866
-3.16956
0.868216
2.866758
other
Lu2B2C2
6
194
60