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-1068235
-7.53738
-3.236298
4.639237
other
Sr1Ge3Ir1
5
107
101.41
mp-1220217
-7.893838
-5.580145
4.98442
other
Nd1Ga3Ag1
5
107
104.66
mp-1070321
-5.066769
-3.639324
6.031787
other
Nd1Si3Rh1
5
107
87.67
mp-20747
-3.401689
-5.130453
6.532835
other
Li1Si3Pd1
5
107
79.23
mp-20910
-7.765263
-3.05154
5.012836
other
La1Ge3Ir1
5
107
99.91
mp-1069882
-4.997382
-3.470592
5.933858
other
La1Si3Os1
5
107
91.66
mp-19973
-7.682573
-3.008751
5.254805
other
La1Co1Ge3
5
107
92.61
mp-1215208
-5.378576
-2.656706
2.686659
other
Zr1Ti3As2
6
107
101.4
mp-1220156
-8.287465
-5.486804
4.571544
other
Nd1Ga3Au1
5
107
99.62
mp-1070137
-4.213638
-4.788656
5.720978
other
Ba1Si3Pd1
5
107
100.48
mp-1068256
-5.255832
-3.242317
5.764254
other
U1Si3Ir1
5
107
85.45
mp-1068732
-5.203297
-3.327845
5.810599
other
Th1Si3Ru1
5
107
88.57
mp-1069477
-5.144234
-3.437488
5.940835
other
Gd1Si3Ir1
5
107
87.16
mp-1070238
-5.085337
-3.456468
5.906586
other
Th1Si3Rh1
5
107
87.81
mp-1218743
0.532641
-0.012471
1.754524
other
Sr2Li1N1
4
107
106.49
mp-1068588
-5.121652
-3.355852
5.967704
other
Tb1Si3Ir1
5
107
85.39
mp-1219979
-8.259741
-5.476339
4.552846
other
Pr1Ga3Au1
5
107
100.62
mp-1226791
-7.576571
-5.129595
4.805451
other
Ca1Al3Au1
5
107
100.52
mp-1212252
-8.482924
-5.512364
4.034291
other
Ho10In20Pd10
40
107
861.66
mp-1215654
-5.101035
-3.660185
5.378161
other
Zr2Si7Ni3
12
107
178.06
mp-14625
-7.689169
-3.108882
5.252503
other
Nd1Co1Ge3
5
107
90.4
mp-21660
-7.661231
-3.364629
4.885061
other
Hf10Ga20Co10
40
107
591.63
mp-978987
-6.947392
-4.920969
3.874215
other
Sr1Ge3Pd1
5
107
103.33
mp-1228222
9.208498
8.76922
1.726549
other
Ba4In2O7
13
107
259.8
mp-13125
-7.698166
-3.06525
5.239337
other
Pr1Co1Ge3
5
107
91.34
mp-1218236
-7.786849
-6.431246
2.965048
other
Sr1In3Au1
5
107
132.29
mp-1215537
-7.335281
-5.389853
4.58779
other
Yb1Zn1Ga3
5
107
97.6
mp-1068869
-5.170108
-3.451869
5.92297
other
Th1Si3Ir1
5
107
88.58
mp-1213359
-8.510015
-5.524866
3.931267
other
Er10In20Pd10
40
107
855.88
mp-1226793
-4.40239
1.829696
2.852399
other
Ce4Ni8B12
24
107
279.31
mp-1227072
-7.819797
-4.630971
4.078515
other
Ca1Ga3Pt1
5
107
96.64
mp-10690
-7.465074
-3.218733
4.963239
other
Eu1Co1Ge3
5
107
90.66
mp-1070394
-5.100414
-3.541673
5.883768
other
Ce1Si3Rh1
5
107
87.57
mp-1224113
-7.622414
-4.539249
5.804975
other
Ho1Al3Cu1
5
107
89.11
mp-1218359
-6.363606
-5.482851
5.211712
other
Sr1Al3Ag1
5
107
108.56
mp-1070247
-7.195068
-4.168359
4.407491
other
Ba1Ge3Rh1
5
107
106.66
mp-1219797
-6.286655
-2.243111
0.489324
other
Ni6Sn1Te2
9
107
139.43
mp-1205484
-7.696324
-5.453709
3.138233
other
Pr2Cu3Sn6
11
107
263.62
mp-644385
4.762664
2.202206
-3.569064
other
H1C1N1
3
107
46.34
mp-1227995
-7.567919
-5.600272
3.443932
other
Ba1In3Pt1
5
107
135.86
mp-1210938
-8.475095
-5.628406
4.110226
other
Sm10In20Pd10
40
107
897.39
mp-1067925
-4.251212
-4.895275
5.586174
other
Sr1Si3Au1
5
107
97.13
mp-1228030
-4.836506
-6.545487
1.635339
other
Ba4Bi2O1
7
107
269.72
mp-1212218
-4.145509
-3.977757
-3.639224
other
La32Sb8Se60
100
110
2,916.99
mp-27344
5.463096
-0.312662
-2.954748
other
Be8B16H64
88
110
838.49
mp-1204294
8.619515
9.368941
-3.747241
other
Zr4Mo8O44
56
110
896.94
mp-985637
13.50558
7.737631
-0.81814
other
Li8Si16O28
52
110
662.09
mp-1207524
8.528602
9.578245
-3.489351
other
Zr4W8O44
56
110
861.04
mp-1098011
11.766529
4.441054
-2.506821
other
Li8B16O24
48
110
1,078.46
mp-1200259
13.34082
4.807036
-2.32948
other
Li8B16O24
48
110
845.51
mp-1201586
9.204944
7.637985
-5.173657
other
Zr4P8O32
44
110
723.67
mp-4779
13.800436
4.204748
-2.421779
other
Li8B16O28
52
110
466.65
mp-1195765
-2.733675
-2.639592
-5.621522
other
Nd32Sb8S60
100
110
2,450.12
mp-554935
-2.636096
-2.656928
-5.64103
other
Pr32Sb8S60
100
110
2,505.36
mp-1195582
-2.626466
-2.574602
-5.506892
other
La32Sb8S60
100
110
2,564.34
mp-560463
13.532419
4.245767
-2.36439
other
Li8B16O28
52
110
655.31
mp-1181782
10.210137
10.660306
-3.407203
other
Cu8Re8O32
48
110
750.34
mp-1212167
-4.850062
-2.86668
-3.972363
other
In5Cu1Se8
14
111
394.83
mp-2232683
11.768818
11.300146
-2.167433
other
Mg1W4O12
17
111
226.28
mp-568598
-1.244202
2.572855
-3.129865
other
Cu2Hg1I4
7
111
234.65
mp-1222579
-5.000877
-4.857927
0.591876
other
Li7Mn1As4
12
111
229.59
mp-1216735
-4.610414
-2.967161
-4.009469
other
Tl5In3Se8
16
111
481.43
mp-1212666
-4.9254
-2.707548
-4.047354
other
Ga5Cu1Se8
14
111
335.43
mp-1212671
-6.034457
-3.305119
-2.247297
other
Ga5Cu1Te8
14
111
425.17
mp-1106199
-3.349383
-3.847193
0.575359
other
Cr1Ga7P8
16
111
330.73
mp-861184
-4.338941
-0.403867
-5.088344
other
Li2W1S4
7
111
200.8
mp-1078049
-4.158675
-1.343769
-5.922215
other
Zn1Ga2S4
7
111
144.86
mp-505244
-5.555357
-2.224271
-3.778574
other
Fe2Cu2Se4
8
111
167.55
mp-8976
-4.622912
-0.583544
-5.2077
other
Cu2W1S4
7
111
160.74
mp-707703
2.868871
-0.312481
-1.775633
other
Th24Al12H33
69
111
1,127.38
mp-504587
-5.090861
-1.01482
-5.410145
other
Fe9Cu9S16
34
111
582.27
mp-1228096
-6.720447
-6.204822
2.243727
other
K48Cu48Sn84
180
111
5,634.71
mp-758876
10.149687
0.855898
1.507525
other
Li2Mn1F4
7
111
97.26
mp-1078053
-5.072587
-2.372715
-3.824795
other
Ga2Fe1Se4
7
111
174.83
mp-571103
-4.815824
-2.829218
-3.959798
other
In5Ag1Se8
14
111
407.66
mp-568032
-4.816242
-2.855217
-3.992955
other
Cd1In2Se4
7
111
205.77
mp-1219397
-7.53897
-4.973211
4.867192
other
Sm8Ga48Cu3
59
111
1,101.89
mp-1220615
-7.628664
-4.920081
4.909914
other
Nd8Ga48Cu3
59
111
1,117.81
mp-570256
-1.184896
2.737066
-3.128649
other
Ag2Hg1I4
7
111
267.88
mp-1025150
-5.198965
-2.078667
-3.994641
other
Cu2W1Se4
7
111
170.7
mp-569813
-6.112679
-3.414067
-2.125125
other
In5Ag1Te8
14
111
505.16
mp-1365819
-3.910422
-1.576887
-5.705535
other
Al20Bi12S48
80
112
2,088.72
mp-1212660
-0.324968
1.303939
-4.31965
other
Ga2Cu2Br8
12
112
355.69
mp-29362
1.652765
2.37735
-5.218759
other
Ga2Cu2Cl8
12
112
297.33
mp-1102536
-0.320918
1.274348
-4.321147
other
Al2Cu2Br8
12
112
348.67
mp-28020
1.694008
2.382956
-5.238425
other
Al2Cu2Cl8
12
112
294.72
mp-1336703
-4.715677
-3.087004
-3.821332
other
Al20Bi12Se48
80
112
2,363.87
mp-1102285
-2.448683
-0.476116
-5.46902
other
Al2P2S8
12
112
303.32
mp-1268005
-4.690414
-2.853063
-3.707211
other
Al4Bi4Se16
24
112
662.93
mp-35327
4.086298
2.243811
-3.1416
other
Al2C6N6
14
113
281.35
mp-606393
-0.178859
1.433145
-4.047108
other
Nb4Br12O4
20
113
555.41
mp-766847
9.267513
3.127882
0.351611
other
W4O4F12
20
113
333.17
mp-3551
-6.127975
-3.6191
-1.720467
other
Tb2Ag2Te4
8
113
240.3
mp-758096
8.215114
2.393694
-0.911314
other
Sb4O4F12
20
113
327.4
mp-1079680
11.04173
10.856876
0.656375
other
Ca4Fe4O8
16
113
213.76
mp-1198660
11.569813
11.108596
-3.890748
other
Y4Mo6O24
34
113
598.53
mp-1078789
5.13827
3.363142
-3.66726
other
C2N4O2
8
113
168.31
mp-632734
8.57526
3.210869
-4.649945
other
H8N4O6
18
113
164.13
mp-1209807
11.64508
11.096519
-3.957448
other
Pr4Mo6O24
34
113
627.25
mp-1176513
6.875737
5.171363
-4.541306
other
Na6N2O6
14
113
184.8