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-1087497
-4.6759
-0.628748
-3.074405
other
V5Se4
9
87
143.5
mp-11262
-8.684048
-6.123458
2.360046
other
Yb1Au4
5
87
97.16
mp-1080306
-4.258327
-4.53367
-3.428839
other
Ce4Se8
12
87
440.02
mp-644
-5.838162
-3.700694
-2.018683
other
K10Te6
16
87
609.84
mp-30797
-5.355529
-2.030014
-1.350225
other
Nb5Te4
9
87
200.76
mp-1445593
13.009444
10.838824
-0.26199
other
W4O8
12
87
187.22
mp-1383701
12.896922
11.039991
-0.832307
other
Mo4O8
12
87
184.17
mp-7498
-5.465202
-2.004603
-1.496172
other
Ti5Te4
9
87
195.41
mp-684697
11.786797
8.833417
1.633571
other
Sc20O19
39
87
449.72
mp-15837
-4.818062
-1.632632
1.968769
other
Nb5Se4
9
87
172.69
mp-755633
-4.759318
-3.120201
-3.850024
other
K10Se6
16
87
505.58
mp-1394584
9.25041
13.474844
-1.992359
other
Cr4O8
12
87
146.47
mp-1209933
-7.719755
-6.577025
6.571129
other
Nd9Ga4
13
87
377.82
mp-31472
-7.110056
-7.562493
1.785973
other
Rb5Hg19
24
87
763.81
mp-1265115
15.099627
5.8165
0.099877
other
Si8O16
24
87
382.12
mp-12635
-8.700994
-5.995484
2.356174
other
Ti1Au4
5
87
85.02
mp-1271755
11.884003
13.621586
-2.307581
other
V4O8
12
87
143.5
mp-1069697
-8.607923
-5.548122
2.24529
other
V1Au4
5
87
84.9
mp-30387
-8.902655
-6.144403
2.557143
other
Ho1Au4
5
87
94.74
mp-2790
-6.263341
-1.11749
1.073294
other
Ni12P5
17
87
183.02
mp-10734
12.789851
9.999424
1.915355
other
Ti4O5
9
87
90.74
mp-350
-5.040925
-2.536199
-1.002665
original
Zr5Te4
9
87
229.17
mp-1072461
7.356091
8.028137
-3.721437
other
U1O5
6
87
96.75
mp-571224
-5.495912
-2.916014
2.161217
other
Nb5Sb4
9
87
184.85
mp-1104052
-7.735075
-6.650372
6.756642
other
Pr9Ga4
13
87
387.79
mp-1188281
-5.767788
-3.816065
-1.853693
other
Cs10Te6
16
87
797.11
mp-16317
-6.942567
-3.508701
3.36662
other
Si5Pt12
17
87
257.38
mp-796324
5.267741
11.12924
-2.441901
other
Fe4O8
12
87
153.98
mp-1384340
9.696424
9.894829
-0.000601
other
Sn4O8
12
87
186.66
mp-1070583
-8.925803
-6.155362
2.608352
other
Er1Au4
5
87
94.02
mp-764417
12.144853
11.837915
-0.080464
other
Fe14O15
29
87
306.51
mp-1400906
5.915781
13.591811
-2.612592
other
Co4O8
12
87
124.59
mp-12565
-8.642938
-5.473552
2.153411
other
Mn1Au4
5
87
85.34
mp-1191593
-5.856939
-3.17415
-1.769544
other
Cs3Te22
25
87
976.69
mp-30354
-8.258905
-6.709506
2.829166
other
Sc1Ag4
5
87
88.97
mp-2371
-5.94242
-3.232843
-2.108348
other
Ga2Te5
7
87
228.92
mp-11415
-7.76958
-6.620475
6.636023
other
Sm9Ga4
13
87
362.06
mp-27743
8.30282
1.312715
-0.636104
other
Bi1F5
6
87
87.49
mp-1024969
8.698821
1.809863
0.951436
other
Np1F5
6
87
91.36
mp-1211590
-7.582949
-10.048545
6.447093
other
La5Mg41
46
87
1,146.08
mp-1068446
-8.938963
-6.034673
2.507229
other
Sc1Au4
5
87
88.81
mp-1400963
10.700451
12.531722
2.017451
other
Ti4O8
12
87
154.21
mp-11507
-7.71629
-0.823952
2.970108
other
Ni4Mo1
5
87
56.67
mp-1101022
10.572631
12.430948
1.990791
other
Ti4O8
12
87
142.92
mp-30814
-7.201547
-3.067788
3.715773
other
Zr9Ni11
20
87
323.31
mp-1193856
-4.79674
-3.050904
2.846953
other
Zr21S8
29
87
571.51
mp-30859
-7.922655
-3.876232
3.349859
other
Zr9Pt11
20
87
377.78
mp-8312
-5.482322
-2.492358
2.733111
other
Ta5As4
9
87
167.04
mp-542239
-7.137515
-7.557061
1.674122
other
Cs5Hg19
24
87
812.82
mp-1070333
-7.208049
0.682553
3.546463
other
Fe4C1
5
87
45.82
mp-680586
-7.588987
-10.046623
6.418291
other
Ce5Mg41
46
87
1,147.21
mp-1385278
5.72121
11.87177
-1.668314
other
Ni4O8
12
87
129.5
mp-568953
-8.257207
-6.924441
2.836277
other
Lu1Ag4
5
87
92.76
mp-600054
15.58785
5.656053
0.32907
other
Si64O128
192
91
4,278.91
mp-27205
1.580656
2.458068
-5.386217
other
Tl4Cl8
12
88
381.63
mp-1288
7.33638
9.664429
-1.685399
other
Ag8O8
16
88
227.27
mp-574266
-6.576856
-9.117513
4.856839
other
Mg16Ga16
32
88
605.63
mp-1498
-8.000221
-4.204358
4.262242
other
Al42Pd16
58
88
898.69
mp-1208286
-0.138964
0.535027
-3.155278
other
Th4Br8
12
88
423.99
mp-510
12.734849
10.593207
1.872406
other
Ta16O32
48
88
575.45
mp-582201
-8.150078
-4.181682
1.829532
other
Ge16Pd42
58
88
857.78
mp-683983
12.663368
10.769202
2.180295
other
Ta16O32
48
88
733.1
mp-995224
7.894415
4.431342
-6.026199
other
C8O16
24
88
337.71
mp-1982
-7.813588
-3.641774
4.575019
other
Al42Pt16
58
88
895.44
mp-1182806
-3.975457
-7.297314
1.850026
other
K16Fe4
20
88
4,122.44
mp-567431
1.352874
1.965486
-4.930561
other
Th2Cl8
10
88
272.35
mp-9918
-6.154837
-6.398032
3.715902
other
Li8Ge8
16
88
272
mp-30936
7.971138
2.013391
-1.404922
other
B20F24
44
88
604.11
mp-821
12.78183
10.743763
2.086552
other
Nb16O32
48
88
579.29
mp-557057
12.787411
10.745045
2.082166
other
Nb8O16
24
88
288.63
mp-581457
-4.704607
-7.283281
1.290488
other
Rb30Hg32
62
88
2,765.22
mp-634430
11.769625
13.650415
-2.303281
other
V4O8
12
88
147.89
mp-649729
12.593452
10.980713
2.283183
other
Nb16O32
48
88
836.27
mp-795
-3.84133
-5.227763
5.729465
other
Li8Si8
16
88
247.92
mp-570229
-0.302309
0.583776
-3.540712
other
Th2Br8
10
88
321.16
mp-1179307
7.981262
9.179358
-3.66157
other
Re2O10
12
88
180.14
mp-570363
-3.709258
-5.193507
5.837637
other
Li8Si8
16
88
390.85
mp-504768
4.891943
3.261323
-3.570796
other
Cu4N12
16
88
245.04
mp-1199451
-2.912924
-1.034173
-5.40693
other
B100S150
250
88
4,055.02
mp-1095521
8.104511
2.012246
-0.938287
other
K2F10
12
88
206.24
mp-541103
9.663856
0.891098
-0.450083
other
Mn8F32
40
88
470.45
mp-1080630
-4.282938
-4.449435
-3.415029
other
Ce16Se32
48
88
1,536.28
mp-582549
-6.005702
-3.318061
-2.012191
other
In4Te10
14
9
518.02
mp-2804
-3.851738
-3.862378
0.747825
other
La8P16
24
9
556.85
mp-1102371
1.347479
2.184158
0.179151
other
Ba4N8
12
9
302.85
mp-1228524
-6.07113
-3.448472
-2.095988
other
Al4Te6
10
9
327.51
mp-608321
-4.970326
-5.052496
0.398103
other
Eu6As8
14
9
363.64
mp-1178828
9.241798
11.869986
-4.334627
other
V6O16
22
9
285.77
mp-1277117
12.00598
13.516723
-2.372449
other
V6O12
18
9
213.72
mp-1227568
9.664436
8.570395
-0.360979
other
Bi8O10
18
9
344.04
mp-29500
8.92942
2.214741
1.201379
other
Ge14F32
46
9
673.77
mp-344
3.211725
2.554405
0.516125
other
B4N4
8
9
64.83
mp-752600
9.673823
2.287096
-0.148802
other
V2F10
12
9
182.64
mp-1220143
6.831841
11.234792
-1.310039
other
Ni4O6
10
9
132.33
mp-1097042
0.694166
3.058107
1.579512
other
Cr24N48
72
9
1,509.49
mp-555147
14.987069
5.912136
0.074279
other
Si4O8
12
9
151.18
mp-652621
-0.444435
1.20376
-4.474702
other
In40Br56
96
9
3,422.72
mp-1105127
-4.768516
-1.8264
1.092801
other
Mn4P16
20
9
292.26
mp-752616
10.696839
0.158699
0.500197
other
Mn6F16
22
9
336.02
mp-32616
-3.968907
-1.374143
-5.830429
other
Ga4S6
10
9
217.85