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-1094685
-5.962149
-8.106976
5.641331
other
Mg16Al13
29
8
577.89
mp-1039481
-6.896418
-6.185976
5.548544
other
Ce3Mg3
6
8
153.45
mp-684978
-2.61069
-2.865847
-5.361835
other
Sc29S42
71
8
1,499.74
mp-1226390
-4.863637
-4.304708
6.143171
other
Dy12Si16
28
8
584.66
mp-1073481
-3.208975
-5.092
6.705172
other
Mg4Si8
12
8
203.24
mp-1038993
-6.273906
-10.442163
5.810168
other
Ca2Mg4
6
8
174.72
mp-1075515
-2.095178
-5.914428
7.470885
other
Mg10Si12
22
8
401.74
mp-1074285
-2.915718
-7.480995
7.60903
other
Mg8Si6
14
8
263.42
mp-1064952
4.857681
3.042321
-3.353932
other
Na1N3
4
8
60.74
mp-1039086
-5.119538
-7.352888
3.82362
other
Ca5Mg1
6
8
237.57
mp-1393712
-4.035559
-1.221624
-5.36436
other
Ag4S2
6
8
129.1
mp-1235698
6.654379
5.756897
-3.766248
other
Li1O8
9
8
123.35
mp-20250
-4.233635
-1.19125
-4.490922
other
Pd8S8
16
84
277.96
mp-754983
12.247381
11.891482
0.506345
other
Cr8O8
16
84
192.77
mp-796340
8.171212
14.326324
-1.665578
other
Mn6O12
18
84
248.42
mp-21165
-4.727527
-1.935792
-3.076303
other
Pd8Se8
16
84
320.76
mp-30594
-9.239823
-4.398269
3.392244
other
Cu16Pd4
20
84
244.42
mp-561384
8.754501
1.542348
1.088389
other
Zr8F32
40
84
483.12
mp-1205321
-4.299104
-1.636848
-4.008158
other
Pt8S8
16
84
275.52
mp-568380
-4.468191
-3.06643
-4.141375
other
Tl20Se12
32
85
936.79
mp-23228
2.43505
2.700601
-4.453012
other
P4Cl20
24
85
661.12
mp-684555
-4.158521
-3.60444
-2.566111
other
U10Se20
30
85
770.55
mp-572283
14.901083
5.905385
-0.021071
other
Si16O32
48
85
606.35
mp-1041273
6.153604
9.143155
-1.68771
other
Bi8O18
26
85
451.52
mp-870701
-4.88776
-0.869246
-4.536024
other
Fe8S10
18
85
640.27
mp-1370177
10.754725
12.509508
-3.903172
other
V8O18
26
85
362.19
mp-32711
-0.144287
0.870054
-3.769062
other
Sr10Br20
30
85
979.31
mp-1103129
6.074504
3.978824
-3.823113
other
I2N10
12
85
134.47
mp-756640
9.772633
2.289973
-0.191664
other
V2F10
12
85
159.24
mp-23311
-0.076506
0.972922
-3.939889
other
Eu10Br20
30
85
949.58
mp-567618
-6.936299
-3.505916
3.340506
other
Si20Pt48
68
85
1,034.78
mp-1041443
7.793885
10.445678
-3.621759
other
Cr8O18
26
85
381.91
mp-570870
-5.842759
-3.613853
1.862705
other
Hf10Sb18
28
85
674.56
mp-775910
10.822119
9.887214
3.906962
other
Zr10O20
30
85
328.31
mp-1199934
-5.640531
-2.724744
3.266742
other
Ti24As8
32
86
524.33
mp-505528
-5.328309
-2.363274
2.860596
other
Nb24P8
32
86
531.95
mp-1203324
-5.865319
-3.710999
3.703431
other
Zr24Ge8
32
86
675.26
mp-17861
-7.337282
-6.262274
5.777859
other
Tm24Sb8
32
86
902.57
mp-504812
-5.553491
-3.109755
3.596753
other
Hf24P8
32
86
600.81
mp-652044
-4.11855
-3.949168
-3.253024
other
Ce20Se38
58
86
1,470.98
mp-639805
-5.487698
-2.262033
3.505336
other
Ta24Ge8
32
86
553.25
mp-1198302
-5.670945
-2.443013
3.457627
other
Nb24Ge8
32
86
565.46
mp-645688
-2.931218
-2.585633
-4.899802
other
Ce20S38
58
86
1,275.22
mp-10534
-2.782561
-2.596575
-5.495111
other
Sm20S38
58
86
1,243.71
mp-560786
-2.740992
-2.668193
-5.614094
other
Nd20S38
58
86
1,302.59
mp-17848
-5.543609
-2.701306
3.615388
other
Nb24Si8
32
86
549.95
mp-646008
-2.761487
-2.562029
-5.576072
other
Gd20S38
58
86
1,217.52
mp-18350
-5.529366
-1.139849
2.452269
other
V24P8
32
86
408.27
mp-1200894
-5.556992
-3.084134
3.376945
other
Zr24As8
32
86
664.61
mp-558229
-2.658357
-2.605891
-5.470677
other
La20S38
58
86
1,373.28
mp-1200337
-6.584271
-5.354114
5.401113
other
Ce24Ge8
32
86
850.13
mp-22447
-5.404243
-2.92142
3.357364
other
Zr24P8
32
86
631.16
mp-1198134
-5.467352
-2.188556
3.227314
other
Ta24As8
32
86
549.27
mp-1196393
-7.236037
-6.366112
5.753577
other
Y24Sb8
32
86
964.21
mp-8866
-4.170554
-4.017944
-3.639645
other
La20Se38
58
86
1,550.77
mp-14650
-4.17699
-4.171416
-3.759466
other
Nd20Se38
58
86
1,478.81
mp-1202616
-5.958552
-3.666161
3.841486
other
Hf24Ge8
32
86
644.36
mp-1189365
11.527784
8.009562
-3.058469
other
As8O12
20
86
375.78
mp-980420
-5.427381
-2.876158
4.074346
other
Ti24Si8
32
86
519.98
mp-29832
-4.199381
-4.14482
-3.654528
other
Sm20Se38
58
86
1,429.03
mp-504502
-5.365
-2.073004
3.172031
other
Ta24P8
32
86
520.04
mp-568646
-5.323583
-2.529929
3.42317
other
Ta24Si8
32
86
537.88
mp-1204382
-2.685066
-2.709281
-5.661474
other
Tm20S38
58
86
1,131.59
mp-1197830
3.494657
2.473465
-3.330237
other
C16I16
32
86
1,428.01
mp-776321
0.623262
2.781162
1.819223
other
W8N16
24
86
288.72
mp-1200912
-5.41205
-3.635375
4.116355
other
Zr24Si8
32
86
661.72
mp-31214
-5.280968
-2.437805
3.259097
other
Ti24P8
32
86
491.43
mp-645273
-5.557062
-3.752599
-1.232131
other
Ce20Te38
58
86
1,845.83
mp-504425
-5.597959
-2.491834
3.018281
other
Nb24As8
32
86
561.68
mp-561375
-2.659985
-2.66113
-5.598665
other
Pr20S38
58
86
1,332.55
mp-14613
-4.080852
-4.219961
-3.770304
other
Pr20Se38
58
86
1,509.33
mp-1078930
4.09508
3.037829
-3.354109
other
Mg1N8
9
87
172.49
mp-1068773
-8.855448
-6.137779
2.537204
other
Lu1Au4
5
87
92.37
mp-1743
-5.896305
-1.323813
2.328443
other
Mo5As4
9
87
152.64
mp-11765
-4.611018
-1.69057
-2.613838
other
Ti5Se4
9
87
164.38
mp-1105101
-5.062388
-7.093644
3.353939
other
Ba9In4
13
87
603.66
mp-8046
0.817665
1.517213
2.782003
other
Ta4N5
9
87
100.96
mp-1210708
-5.751344
-0.667497
2.817583
other
Mo21S8
29
87
431.01
mp-1133
-4.485887
-0.13855
-3.342735
other
V10S8
18
87
253.37
mp-30811
-7.629083
-0.981729
2.940615
other
Ni4W1
5
87
56.84
mp-9948
-6.091409
-1.885144
-1.446513
other
V5Te4
9
87
186.9
mp-31381
-5.098489
-2.154691
2.383734
other
Nb21S8
29
87
484.41
mp-1207436
-8.07498
-4.820355
3.190904
original
Zr9Pd11
20
87
368.42
mp-1070789
-8.712923
-5.658316
2.167428
other
Cr1Au4
5
87
85.75
mp-1188785
-7.585443
-2.745892
3.683948
other
Hf9Ni11
20
87
312.88
mp-568221
-5.31454
-2.757087
2.636039
other
Ta5Sb4
9
87
184.57
mp-1068348
-8.921305
-6.178265
2.580768
other
Tm1Au4
5
87
93.45
mp-1199923
-7.622244
-9.961439
6.492934
other
Nd5Mg41
46
87
1,128.56
mp-1201293
-7.625313
-9.997976
6.482676
other
Sm5Mg41
46
87
1,113.69
mp-2598
-5.332604
-2.686249
2.55612
other
Ta5Sb4
9
87
189.97
mp-7927
0.813867
1.549243
2.761348
other
Nb4N5
9
87
103.68
mp-1197847
-7.629158
-10.01249
6.506104
other
Pr5Mg41
46
87
1,137.41
mp-274
-5.630505
-2.882309
2.156453
other
Nb5Sb4
9
87
194.34
mp-569319
-6.037453
-1.378425
2.360798
other
Mo5As4
9
87
142.97
mp-19395
8.188153
14.341637
-1.660333
other
Mn4O8
12
87
134.77
mp-1220234
8.494184
11.821039
-0.839656
other
Ni5O4
9
87
89.31
mp-1852
8.857786
2.061209
1.342353
other
U1F5
6
87
92.19
mp-12884
-5.231701
-3.432377
2.746194
other
Hf5Te4
9
87
217.04
mp-30536
-6.262782
-2.508391
1.716225
other
V5Sb4
9
87
168.57
mp-1402765
6.524183
9.051328
-1.143684
other
Bi4O8
12
87
244.83