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-556044
13.62352
6.574087
-0.931611
other
Si12O24
36
163
680.65
mp-1080030
5.646677
2.091421
-2.576834
other
B1C7
8
156
47.46
mp-557009
-4.841799
-1.743453
-6.704895
other
Zn20S20
40
156
781.95
mp-555628
-4.841909
-1.743944
-6.705517
other
Zn24S24
48
156
938.63
mp-680133
-1.194655
2.838751
-3.002913
other
Cd17I34
51
156
2,040.37
mp-582042
-1.187797
2.845014
-3.005517
other
Cd15I30
45
156
1,895.14
mp-570985
-1.155855
0.557724
2.360921
other
Si27C27
54
156
556.97
mp-556815
-4.84239
-1.744518
-6.707016
other
Zn14S14
28
156
547.58
mp-557058
-4.829134
-1.751038
-6.658599
other
Zn12S12
24
156
494.03
mp-556395
-4.841755
-1.741804
-6.703424
other
Zn8S8
16
156
312.42
mp-1216967
0.245192
2.091187
2.27898
other
W14N12
26
156
310.24
mp-1227622
-5.511863
-1.420768
4.635459
other
Be46Ru7
53
156
497.03
mp-571579
-1.208347
2.842772
-3.005404
other
Cd10I20
30
156
1,137.89
mp-571516
-1.189988
2.843081
-3.005251
other
Cd16I32
48
156
1,988.56
mp-571613
-1.191995
2.841646
-3.004622
other
Cd12I24
36
156
1,470.59
mp-669340
-1.193175
2.83828
-3.003002
other
Cd14I28
42
156
1,684.32
mp-1227597
-5.384245
-1.475078
4.729477
other
Be46Ir7
53
156
498.95
mp-1218093
-7.14779
-0.502348
3.953551
other
Ta3Co9
12
156
146.59
mp-582619
-1.170529
2.81451
-3.007839
other
Cd6I12
18
156
719.51
mp-571538
-1.208405
2.842822
-3.005481
other
Cd10I20
30
156
1,138.57
mp-1018649
5.642779
2.011176
-2.593371
other
B1C5
6
156
36.08
mp-556155
-4.841317
-1.742873
-6.703457
other
Zn20S20
40
156
781.82
mp-680153
-1.194881
2.83867
-3.002874
other
Cd21I42
63
156
2,518.13
mp-1228684
-8.216891
-3.061825
2.246932
other
B2Pt3
5
156
63.99
mp-554999
-4.841535
-1.743323
-6.704259
other
Zn24S24
48
156
938.38
mp-1215293
-7.191184
-1.067118
4.709226
other
Zr3Mn9
12
156
164.12
mp-1226978
-8.571597
-6.036109
2.156259
other
Cd3Au8
11
156
225.31
mp-1227672
-5.438386
-1.448871
4.585391
other
Be46Rh7
53
156
498.51
mp-570437
-1.208342
2.842807
-3.005517
other
Cd3I6
9
156
341.65
mp-1224450
-6.075801
-3.474842
-2.018291
other
In2Te3
5
156
192.2
mp-554820
-4.840688
-1.742229
-6.701684
other
Zn28S28
56
156
1,094.4
mp-569964
-1.207791
2.842447
-3.006016
other
Cd8I16
24
156
912.74
mp-1354141
5.832296
11.733682
-1.666262
other
Ni12O24
36
156
380.56
mp-1044853
10.881018
12.524403
2.05565
other
Ti12O24
36
156
459.97
mp-1358572
9.25677
13.293466
-2.032881
other
Cr12O24
36
156
439.83
mp-569468
-1.186503
2.846454
-3.005711
other
Cd16I32
48
156
2,049.81
mp-569611
-1.193105
2.840881
-3.004236
other
Cd17I34
51
156
2,068.85
mp-1359814
9.692707
9.752854
-0.153835
other
Sn12O24
36
156
559.43
mp-680152
-1.191467
2.837425
-3.003105
other
Cd15I30
45
156
1,807.58
mp-570791
-1.155815
0.554377
2.36161
other
Si19C19
38
156
391.93
mp-627557
-1.207854
2.84229
-3.005856
other
Cd9I18
27
156
1,027.59
mp-557418
-4.841811
-1.743362
-6.704844
other
Zn20S20
40
156
781.89
mp-556950
-4.841558
-1.74315
-6.704159
other
Zn16S16
32
156
625.5
mp-554253
-4.841234
-1.744656
-6.704807
other
Zn26S26
52
156
1,017.71
mp-571568
-1.20815
2.842629
-3.005684
other
Cd8I16
24
156
912.14
mp-571136
-1.208045
2.842684
-3.005851
other
Cd7I14
21
156
798.24
mp-680092
-1.208338
2.843043
-3.005707
other
Cd10I20
30
156
1,138.28
mp-555779
-4.840899
-1.742861
-6.702627
other
Zn16S16
32
156
625.59
mp-680120
-1.207586
2.840124
-3.006352
other
Cd15I30
45
156
1,738.1
mp-570610
-1.20799
2.841985
-3.005475
other
Cd13I26
39
156
1,487.74
mp-553916
-4.841144
-1.742784
-6.703043
other
Zn24S24
48
156
938.21
mp-684676
-4.370128
-1.206319
-6.111085
other
Al48S72
120
156
2,266.23
mp-571583
-1.208564
2.842789
-3.005191
other
Cd10I20
30
156
1,138.13
mp-571595
-1.208327
2.842966
-3.005784
other
Cd10I20
30
156
1,133.65
mp-556543
-4.840585
-1.743652
-6.702684
other
Zn22S22
44
156
860.82
mp-570613
-1.207619
2.840195
-3.005759
other
Cd6I12
18
156
691.93
mp-555666
-4.841216
-1.743114
-6.703465
other
Zn32S32
64
156
1,251.2
mp-570511
-1.20746
2.839923
-3.006561
other
Cd5I10
15
156
579.7
mp-1217101
-3.924007
-0.248874
-4.019366
other
Ti3S4
7
156
121.36
mp-775808
16.728468
9.647991
7.403878
other
Mg6O6
12
156
142.18
mp-556485
-4.827733
-1.749528
-6.663173
other
Zn12S12
24
156
495.39
mp-554986
-4.841123
-1.782731
-6.726696
other
Zn34S34
68
156
1,376.74
mp-571603
-1.208517
2.843252
-3.005562
other
Cd12I24
36
156
1,363.83
mp-570263
-1.190176
2.843007
-3.005102
other
Cd9I18
27
156
1,117.24
mp-680118
-1.207591
2.840169
-3.006354
other
Cd15I30
45
156
1,738.09
mp-752998
11.724351
8.533546
1.903743
other
U3O5
8
156
119.82
mp-556161
-4.84169
-1.74356
-6.704773
other
Zn14S14
28
156
547.44
mp-1094219
-6.767744
-9.301489
3.431696
other
Mg3Sn3
6
156
149.16
mp-1041066
8.074808
13.990758
-1.755566
other
Mn12O24
36
156
429.92
mp-553880
-4.841306
-1.744215
-6.704576
other
Zn26S26
52
156
1,017.34
mp-1096941
-4.644985
-1.420997
-5.33987
other
Cu1S1
2
156
60.48
mp-554608
-4.840883
-1.744105
-6.703653
other
Zn26S26
52
156
1,017.49
mp-1041256
5.910555
11.550359
-1.643408
other
Ni12O24
36
156
386.38
mp-555782
-4.841319
-1.742863
-6.703449
other
Zn20S20
40
156
781.82
mp-571037
-1.208203
2.842752
-3.005691
other
Cd7I14
21
156
796.54
mp-647075
-4.840226
-1.783107
-6.725253
other
Zn64S64
128
156
2,593.36
mp-680148
-1.193303
2.836776
-3.002985
other
Cd20I40
60
156
2,397.4
mp-554630
-4.841177
-1.745805
-6.705662
other
Zn24S24
48
156
940.23
mp-995181
-6.184088
-5.98811
2.600456
other
Sn1Ge1
2
156
207.55
mp-556000
-4.841036
-1.744072
-6.703921
other
Zn22S22
44
156
860.87
mp-1356217
9.598911
9.759984
-0.241085
other
Sn12O24
36
156
535.75
mp-624400
-1.208337
2.843282
-3.005864
other
Cd10I20
30
156
1,136.8
mp-647489
-1.207559
2.840076
-3.0064
other
Cd7I14
21
156
811.13
mp-582034
-1.155974
0.563223
2.359834
other
Si21C21
42
156
433.22
mp-555543
-4.84114
-1.742806
-6.703062
other
Zn24S24
48
156
938.23
mp-571593
-1.207426
2.840276
-3.006854
other
Cd12I24
36
156
1,391.09
mp-571605
-1.208356
2.842583
-3.005302
other
Cd10I20
30
156
1,139.1
mp-703595
-1.165596
2.786786
-3.023988
other
Cd13I28
41
156
1,669.9
mp-669357
-1.207933
2.842521
-3.005904
other
Cd11I22
33
156
1,255.24
mp-680196
-1.199263
2.838043
-3.003344
other
Cd29I58
87
156
3,448.56
mp-554713
-4.841969
-1.743535
-6.705288
other
Zn24S24
48
156
938.33
mp-680114
-1.191822
2.836334
-3.003116
other
Cd11I22
33
156
1,322.03
mp-571514
-1.208048
2.842631
-3.005804
other
Cd8I16
24
156
912.07
mp-680094
-1.191701
2.836767
-3.003091
other
Cd11I22
33
156
1,323.21
mp-1380335
10.903782
12.614572
2.013911
other
Ti12O24
36
156
464.13
mp-571660
-1.189553
2.843582
-3.005234
other
Cd12I24
36
156
1,495.21
mp-669358
-1.191805
2.836513
-3.003122
other
Cd11I22
33
156
1,322.4
mp-570448
-1.188809
2.844015
-3.005345
other
Cd13I26
39
156
1,628.02
mp-680046
-1.193367
2.838385
-3.003008
other
Cd14I28
42
156
1,684.04
mp-680116
-1.193518
2.838459
-3.003003
other
Cd14I28
42
156
1,683.79