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-1225503
-4.789299
-4.307021
6.23238
other
Er2Al2Si2
6
109
120.33
mp-1025144
-7.233793
-4.670794
5.148932
other
Ce2Ga2Ge2
6
109
133.4
mp-7030
-4.924273
-4.07759
5.825086
other
La2Si2Ni2
6
109
122.36
mp-582282
-4.310104
-3.959864
-3.965643
other
Gd2Ag2Se4
8
109
201.13
mp-1077797
-7.951845
-4.522244
3.789696
other
La2Ge2Pt2
6
109
138.11
mp-1206779
-5.762838
-3.338147
5.609096
other
Th2Si2Ir2
6
109
125.95
mp-760402
10.395653
11.66279
0.528196
other
Ta2Rh2O8
12
109
135.03
mp-1077512
-8.026887
-3.318249
4.563097
other
La2Ge2Ir2
6
109
136.22
mp-1206335
-4.97596
-4.03706
5.904854
other
Pr2Si2Ni2
6
109
118.67
mp-1220152
-4.834853
-4.362289
6.050619
other
Nd2Ga2Si2
6
109
126.58
mp-861559
10.308999
12.846943
1.042419
other
Ta6Fe6O24
36
109
414.07
mp-3077
-6.763789
-4.508138
5.77115
other
Sm2Al2Ge2
6
109
129.67
mp-1079429
-4.297417
-4.032193
-3.966924
other
Ho2Ag2Se4
8
109
193.5
mp-1227912
-7.371921
-7.025905
3.227571
other
Ca22Cd36Au8
66
109
1,676.96
mp-1095026
-4.322653
-4.011978
-3.968514
other
Dy2Ag2Se4
8
109
195.16
mp-1077109
-5.208623
-3.863035
5.123694
other
Sm2Si2Pt2
6
109
124.72
mp-27255
-4.046743
-1.500939
-5.596852
other
Ga4Te2S4
10
109
260.17
mp-1222354
10.308061
9.245864
0.174445
other
Li2In2O4
8
109
87.13
mp-1206260
-5.241655
-4.304299
5.897755
other
Th2Si2Ge2
6
109
130.91
mp-11511
-6.771596
-4.522134
5.84689
other
La2Al2Ge2
6
109
141.18
mp-1206485
-5.240215
-3.910311
5.01659
original
La2Si2Pt2
6
109
133.19
mp-756638
10.173358
11.837862
0.417977
other
Nb2Rh2O8
12
109
136.59
mp-20732
-6.132895
-3.827249
0.8819
other
Eu2As2Pt2
6
109
133.82
mp-760507
9.345169
11.298535
-2.009968
other
As2Rh2O8
12
109
119.97
mp-1219972
-4.800453
-4.343867
6.036656
other
Pr2Ga2Si2
6
109
128.97
mp-1222884
-4.805398
-4.358123
6.22091
other
La2Al2Si2
6
109
137.56
mp-1206175
-5.983413
-5.721874
4.724027
other
Eu2Al2Ge2
6
109
139.77
mp-1025108
-6.716809
-4.727437
5.792056
other
Gd2Al2Ge2
6
109
129.33
mp-755244
10.267397
2.678351
1.73738
other
Li2V2F8
12
109
127.62
mp-12921
-5.863477
-2.332732
1.339091
other
Pr2P2Ir2
6
109
121.4
mp-979271
-4.266397
-4.062838
-3.92082
other
Tb2Ag2Se4
8
109
199.25
mp-1080386
-5.261186
-3.840787
5.008771
other
Pr2Si2Pt2
6
109
129.99
mp-1206173
-5.104281
-4.253105
5.931515
other
Ce2Si2Ge2
6
109
126.64
mp-12919
-5.720301
-2.322118
1.394849
other
La2P2Ir2
6
109
123.84
mp-1206852
-6.648829
-4.496303
5.783338
other
Nd2Al2Ge2
6
109
133.46
mp-773064
9.924754
12.076308
-3.059646
other
V2Rh2O8
12
109
127.37
mp-10956
-6.334807
-2.596457
1.446863
other
La2As2Rh2
6
109
132.17
mp-29325
12.935575
10.424659
-0.050902
other
Zn2Mo16O20
38
109
525.89
mp-754757
9.262361
11.131555
-1.031268
other
Sb2Rh2O8
12
109
134.06
mp-760396
11.190497
11.178659
2.364661
other
Ta2Al2O8
12
109
127.52
mp-1025025
-5.383607
-3.476822
5.819259
other
Th2Co2Si2
6
109
114.74
mp-29324
12.940145
10.434757
-0.165536
other
Li2Mo16O20
38
109
516.04
mp-1190809
1.844851
2.328309
0.958465
other
Li16Te2N4
22
109
267.24
mp-1072580
-5.450014
-3.826144
4.838786
other
Ce2Si2Pt2
6
109
127.13
mp-1224619
-4.776884
-4.435297
6.18273
other
Gd2Al2Si2
6
109
123.49
mp-1079321
-2.844846
-2.521223
-5.899656
other
Er2Ag2S4
8
109
171.65
mp-12920
-5.820057
-2.645024
1.46088
original
Ce2P2Ir2
6
109
116.81
mp-10450
-6.695408
-4.448817
5.698151
other
Pr2Al2Ge2
6
109
135.86
mp-1225273
-4.766612
-4.389128
6.278455
other
Dy2Al2Si2
6
109
121.54
mp-1206329
-5.588202
-3.548725
5.678892
other
Th2Si2Rh2
6
109
125.01
mp-1218980
-4.817451
-4.344184
6.130308
other
Sm2Ga2Si2
6
109
122.72
mp-1283513
11.049124
13.356877
-0.530613
other
Cr4Cu2O8
14
109
149.22
mp-12922
-5.760342
-2.300277
1.340403
other
Nd2P2Ir2
6
109
119.65
mp-1285355
12.056331
8.059914
-0.45805
other
Al4Ni2O8
14
109
136.09
mp-1025098
-5.533667
-3.715804
4.883934
other
Th2Si2Pt2
6
109
128.1
mp-1077789
-5.30174
-3.712425
5.52933
other
Th2Si2Ni2
6
109
116.38
mp-755190
12.406961
12.226783
-0.249639
other
Ta2V2O8
12
109
133.06
mp-1225981
-6.984062
-4.376416
5.988106
other
La4Al14Ni2
20
109
404.39
mp-753467
11.330028
12.199279
1.332289
other
Ta2Cr2O8
12
109
130.79
mp-1216479
10.53919
5.151598
-4.280653
other
V4H12O16
32
109
290.22
mp-1222823
-4.788562
-4.373346
5.888464
other
La2Ga2Si2
6
109
134.44
mp-761341
11.422829
13.335812
-2.002118
other
Ti4V4O16
24
109
252.22
mp-758053
11.333803
12.471476
0.903347
other
Nb2Cr2O8
12
109
132.37
mp-20710
-5.24192
-3.775129
5.515976
other
Ce2Si2Ni2
6
109
113.37
mp-1071675
-5.33904
-3.96663
5.077053
other
Gd2Si2Pt2
6
109
122.44
mp-1216730
8.279795
2.546835
1.87331
other
Ti2N2F2
6
109
76.25
mp-1079656
-2.912143
-2.488004
-5.943592
other
Tm2Ag2S4
8
109
169.82
mp-1422345
8.761094
14.528309
-1.219144
other
Mn4Ni2O8
14
109
157.84
mp-28340
-6.128588
-3.557095
0.845551
other
Ca6As6Pt6
18
109
386.74
mp-28423
-4.697501
-2.930422
-3.984133
other
Ga4Te2Se4
10
109
290.97
mp-1069898
-7.449101
-2.581524
5.147882
other
La1Ge3Os1
5
107
100.76
mp-1221904
-7.292625
-1.445002
5.041154
other
Mn2Al2Cu1
5
107
63.83
mp-974769
-7.245007
-4.123361
4.629492
other
Eu1Ni1Ge3
5
107
92.06
mp-29308
-4.086433
-1.247451
-5.287339
other
Na5Co2S5
12
107
243.33
mp-1055899
-6.674537
-2.930716
3.573153
other
Nb1In1Ni1
3
107
50.54
mp-616573
10.855897
12.391865
-3.784154
other
Cs2V5O13
20
107
352.49
mp-1215511
-8.003645
-5.286607
3.790945
other
Yb1Ga3Au1
5
107
99.86
mp-1219105
-7.468299
-4.446247
5.881548
other
Sm1Al3Cu1
5
107
92.4
mp-13122
-7.703653
-3.153705
4.81305
other
Ce1Ge3Ir1
5
107
98.27
mp-22346
-6.80697
-4.821933
3.832329
other
Ba1Ge3Pt1
5
107
108.87
mp-1227349
-6.456955
-6.753218
3.320115
other
Ba1Zn1In3
5
107
137.64
mp-19743
-7.414966
-1.8218
5.474001
other
La1Fe1Ge3
5
107
95.93
mp-1211130
-8.480942
-5.562968
3.931202
other
Lu10In20Pd10
40
107
863.73
mp-1219798
-6.222047
-2.146919
-0.160967
other
Ni6Sb1Te2
9
107
139.54
mp-1207214
-4.863474
-4.170347
5.794734
other
Sm1Si3Pt1
5
107
89.55
mp-30805
-7.04446
-5.663194
2.938622
other
Sr1Ni1Sn3
5
107
122.91
mp-1069147
-7.332875
-1.732182
5.475039
other
Pr1Fe1Ge3
5
107
92.1
mp-1225768
-6.963619
-6.62675
3.66532
other
Eu1Zn1In3
5
107
131.31
mp-1069041
-5.132523
-3.364753
5.959444
other
Nd1Si3Ru1
5
107
88.23
mp-559724
-1.796391
0.77352
-4.068119
other
Ta4S9Br8
21
107
614.61
mp-1068587
-5.098921
-3.41466
6.040506
other
Y1Si3Ir1
5
107
85.31
mp-1207245
-7.457653
-3.787891
5.148189
other
La1Ni1Ge3
5
107
93.81
mp-19763
-7.324162
-4.449769
3.925722
other
Eu1Ge3Pt1
5
107
100.69
mp-1069658
-7.627001
-3.406208
4.580247
other
Eu1Ge3Rh1
5
107
97.91
mp-13120
-5.167989
-3.385625
5.871952
other
Ce1Si3Ru1
5
107
87.5
mp-570702
-7.963523
-5.549527
3.154214
other
Sm2Cu4Sn5
11
107
244.99
mp-1201034
-7.666213
-3.284448
4.820929
other
Zr10Ga20Co10
40
107
620.74
mp-1068387
-7.850514
-2.56999
5.372851
other
La1Ge3Ru1
5
107
99.81
mp-1223753
2.965618
3.004509
-3.975021
other
Ir1N4Cl6
11
107
317.94
mp-1219269
-6.752942
-1.652679
1.13221
other
Si1Ni6Se2
9
107
117.44