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-1079337
-8.58561
-0.459995
2.908479
other
Fe2Ni6
8
59
86.43
mp-1094542
-6.163955
-4.255623
3.187474
other
Zr8Sn8
16
59
378.4
mp-1392923
12.348275
11.110817
-1.425017
other
W4O10
14
59
201.5
mp-1094382
-5.295
-3.020316
4.056695
other
Mg2Ti6
8
59
144.56
mp-1025478
-8.996458
-6.300179
2.67264
other
Tb2Au6
8
59
159.47
mp-611
-7.817303
-6.522197
1.97511
other
Ag6Sn2
8
59
150.81
mp-1101023
-1.791686
-8.010965
1.735371
other
Ti2S2
4
59
12,910.1
mp-1105178
-7.128007
-5.630623
3.54776
other
Er4Sn10
14
59
362.43
mp-1080590
-9.02922
-6.259971
2.643409
other
Dy2Au6
8
59
158.08
mp-1094388
-4.318844
-3.733147
4.590617
other
Mg8Ti8
16
59
309.26
mp-1539317
10.94549
12.024742
2.978684
other
Ta4O10
14
59
194
mp-1079296
-8.931224
-5.96462
2.514819
other
Hf2Au6
8
59
143.21
mp-20826
-6.166072
-2.834139
-2.336675
other
Cu2Te2
4
59
94.67
mp-1205370
-4.414155
-2.933878
-3.956313
other
Sn4Se4
8
59
229.77
mp-1190190
-0.546886
0.942545
-4.2338
other
Yb8Br16
24
61
709.48
mp-776402
6.443752
0.329223
-3.418222
other
B80H104
184
61
1,725.35
mp-1214607
5.384599
2.967834
-3.690071
other
C64Cl80
144
61
3,158.96
mp-27302
0.589842
0.964216
-3.389899
other
Tm8Cl16
24
61
546.57
mp-581941
-1.022645
1.207444
-1.584818
other
Sm8I16
24
61
862.46
mp-725199
8.203485
7.968731
-3.92408
other
U4O16
20
61
327.63
mp-680329
-4.72909
-4.914422
0.18861
other
K48As112
160
61
5,319.44
mp-1181765
-3.41246
1.660794
2.880027
other
Cu16B80
96
61
869.93
mp-7373
-4.975294
-4.995889
0.165424
other
Cd8As8
16
61
384.45
mp-1190186
10.813945
9.882868
3.953949
other
Zr8O16
24
61
271.25
mp-1203061
9.074368
2.65731
0.666917
other
Tc8F32
40
61
563.43
mp-583070
-4.682124
-0.907404
-1.724752
other
Re24Te60
84
61
2,618.17
mp-1172875
8.792761
14.943425
-0.901216
other
Mn32O48
80
61
889.1
mp-568441
3.47614
-0.720538
-2.469651
other
Mg8H16
24
61
214.01
mp-2125
10.322491
9.209873
-2.149805
other
Te8O16
24
61
375.26
mp-27780
1.906271
2.672461
-4.484489
other
Tc8Cl32
40
61
1,046.38
mp-1006226
-6.040236
-5.707346
0.561474
other
Zn8Bi8
16
61
453.77
mp-776427
10.761855
10.044621
3.789392
other
Zr8O16
24
61
320.65
mp-1080301
-4.281079
-4.169981
-3.404259
other
Ce8Se16
24
61
681.46
mp-1840
10.554535
12.474689
1.918206
other
Ti8O16
24
61
258.45
mp-775757
10.864268
9.795043
3.793745
other
Hf8O16
24
61
272.92
mp-776975
12.644269
10.673311
1.935694
other
Nb8O16
24
61
269.66
mp-560417
9.634701
10.009948
-0.151126
other
Sn8O16
24
61
274.96
mp-570471
4.982358
3.196817
-3.440362
other
Cd8N48
56
61
852.04
mp-780654
13.190844
12.7759
-0.930696
other
V16O24
40
61
423.24
mp-1214748
4.683634
2.342291
-3.374336
other
C64N48
112
61
1,987.56
mp-570799
-1.152564
2.064036
-1.964116
other
Eu8I16
24
61
990.04
mp-23316
3.172981
2.941068
-4.296086
other
B8Cl16
24
61
725.12
mp-30369
-5.868538
-7.305448
3.544598
other
Ca56Au24
80
61
2,534.92
mp-1214163
4.114373
2.315626
-3.199134
other
C8N16
24
61
637.84
mp-1194571
10.302658
9.101316
0.136865
other
In16O24
40
61
503.56
mp-1198787
6.644324
6.085001
-3.718545
other
Ba8O48
56
61
953.83
mp-27461
4.061366
2.355407
-3.365276
other
C8N8
16
61
314.17
mp-27485
8.254572
9.383538
-3.653402
other
Tc8O28
36
61
551.7
mp-7372
-4.789
-4.728247
0.05948
other
Zn8As8
16
61
311.57
mp-1080853
-4.284048
-4.209746
-3.367363
other
Ce8Se16
24
61
683.06
mp-565203
8.796298
14.943883
-0.90148
other
Mn32O48
80
61
888.44
mp-28301
-0.323101
1.449294
-4.040083
other
Os8Br32
40
61
1,197.92
mp-1198173
5.52593
2.093667
-3.007878
other
Ir8C32
40
61
336.07
mp-1321
-5.732925
-5.790513
0.635627
other
Cd8Sb8
16
61
471.4
mp-776490
12.529201
7.528367
0.365824
other
Al16O24
40
61
335.25
mp-1208104
-0.106232
0.583025
-3.047474
other
Tm8Br16
24
61
648.43
mp-669496
-0.991549
2.27864
-3.227089
other
Pt8I32
40
61
1,478.11
mp-27876
6.45499
0.305904
-3.419417
other
B64H96
160
61
1,590.57
mp-1147712
-4.354475
-1.177321
-5.402897
other
Cu4S8
12
61
221.57
mp-23220
1.310859
2.257155
-5.339728
other
Yb8Cl16
24
61
593.1
mp-680395
-4.855627
-4.731972
0.273569
other
Li48As112
160
61
3,692.38
mp-1213029
0.565974
0.930436
-3.291121
other
Dy8Cl16
24
61
567.73
mp-1204799
-5.038677
-1.328657
-1.636578
other
Tc24Te60
84
61
2,516.86
mp-2418
-4.633889
-1.930296
-3.147546
other
Pd4Se8
12
61
276.09
mp-13682
-3.813379
-1.108776
-4.608083
other
Pd4S8
12
61
240.46
mp-613620
8.505197
11.685969
-0.841556
other
Rh16O24
40
61
415.48
mp-1858
10.888152
9.79615
3.83398
other
Hf8O16
24
61
261.35
mp-1094031
11.967587
13.419972
-2.433625
other
V8O16
24
61
245.68
mp-680413
-4.75317
-4.945143
0.209771
other
Rb48As112
160
61
5,862.78
mp-755880
0.625861
2.784209
1.818035
other
W8N16
24
61
288.78
mp-1098708
-4.268774
-4.482395
-3.435842
other
Ce8Se16
24
61
803.02
mp-23207
6.508014
6.060749
-3.63301
other
Cl8O16
24
61
377.69
mp-2284
8.50901
1.155046
-0.353168
other
Ag4F8
12
61
166.01
mp-1209326
7.056559
7.260017
-3.884637
other
Se8O40
48
61
774.5
mp-568531
-6.905283
-4.603576
0.462218
other
Bi16Pt8
24
61
631.36
mp-505510
-6.273178
-2.296239
0.869981
other
Ni8As16
24
61
384.65
mp-753
-5.669099
-5.53336
0.492056
other
Zn8Sb8
16
61
391.76
mp-776404
10.779343
9.929812
3.976692
other
Zr8O16
24
61
283.14
mp-1201287
-3.328868
1.634042
2.833309
other
Cu16B80
96
61
870.76
mp-23181
-1.182494
1.982653
-1.723979
other
Sr8I16
24
61
1,026.77
mp-570480
-0.663801
1.223735
-4.06288
other
Tc8Br32
40
61
1,232.14
mp-776890
8.607282
8.579555
-0.159573
other
Rb16O8
24
61
627.51
mp-1190753
10.553565
12.465072
1.729835
other
Ti8O16
24
61
228.5
mp-27267
-4.935882
-1.580688
1.484044
other
Re8P32
40
61
628.63
mp-1182911
7.34059
7.985686
-3.367702
other
Al8O24
32
61
428.82
mp-557266
7.283572
5.912873
-3.236758
other
Hg4O8
12
61
191.93
mp-27844
-5.746686
-1.444699
1.17963
other
Ni8P8
16
61
199.66
mp-28026
-4.882308
-1.686882
1.312522
other
Tc8P32
40
61
626.92
mp-1209413
4.117028
3.004205
-4.149816
other
S48N16
64
61
1,645.46
mp-776016
8.900827
8.551088
0.221563
other
K16O8
24
61
533.79
mp-1462
-7.816961
-5.732689
2.492231
other
Sn16Au8
24
61
591.64
mp-573631
-4.779015
-5.002834
0.260576
other
Cs24As56
80
61
3,043
mp-30025
-0.101672
0.652024
-3.033572
other
Dy8Br16
24
61
680.93
mp-850049
-5.527678
-0.796416
-3.901276
other
Co4S8
12
61
167.94
mp-1180346
6.692119
6.025301
-3.717932
other
Na8O16
24
61
294.73
mp-1042373
5.920265
9.064174
-1.904677
other
Bi16O40
56
61
823.76
mp-775906
10.045106
8.478341
3.195498
other
Y16O24
40
61
571.72
mp-1178392
8.374967
13.392662
-1.196714
other
Fe16O24
40
61
420.33
mp-680655
-7.618279
-2.317464
3.515826
other
Zr28Ni40
68
61
1,033.21
mp-1180165
6.658925
6.071614
-3.764987
other
Na8O16
24
61
313.48