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-1224090
-7.84764
-3.508237
5.900728
other
Ho4Al4Co4
12
38
207.01
mp-1224402
-5.822105
-1.891944
4.161216
other
Hf4Al4Mo4
12
38
209.79
mp-1016428
-6.550634
-11.475479
6.160728
other
Sr1Mg6C1
8
38
188.54
mp-1023143
-6.86999
-10.746918
5.755349
other
Ca2Mg12Cd2
16
38
394.62
mp-989613
2.987754
2.684796
1.23468
other
Ti1P1N3
5
38
65.01
mp-1021737
-8.193581
-11.226431
5.809797
other
Mg12Ni2Mo2
16
38
297.44
mp-1099096
-7.494694
-10.422112
6.273995
other
Ce1Mg14Cd1
16
38
373.29
mp-1028380
-6.742412
-11.208248
5.837517
other
Cs1Mg14Ni1
16
38
390.32
mp-1026760
-7.113363
-10.573982
6.17137
other
Na1La1Mg14
16
38
399.93
mp-1219437
-7.196581
0.181723
5.209968
other
Sc4Fe6Si2
12
38
170.5
mp-1227601
-7.109509
-5.115656
5.127814
other
Ce10Ge4Pd2
16
38
417.04
mp-1021310
-7.811549
-9.662846
6.741479
other
Hf2Mg12Ti2
16
38
348.96
mp-1017476
-7.548731
-9.986556
6.365226
other
La2Mg12Cd2
16
38
404.91
mp-1021157
-6.335314
-11.336637
5.983883
other
Cs1Mg6Si1
8
38
273.25
mp-1218708
-6.930406
-6.205662
3.021946
other
Sr2Pt1Au1
4
38
111.64
mp-1022135
-6.458978
-11.371011
5.834229
other
Cs2Mg12Co2
16
38
433.24
mp-1028031
-7.752536
-10.515422
6.252511
other
Mg14Ti1Co1
16
38
334.9
mp-1022534
-7.416018
-10.150961
6.316365
other
Li2Mg12Zr2
16
38
358.18
mp-1016632
-8.03116
-10.303351
6.425766
other
Mg12Nb2Cr2
16
38
324.78
mp-1028050
-6.930309
-11.186259
5.87379
other
Rb1Mg14Fe1
16
38
383.43
mp-1017277
-7.022017
-11.624645
5.65635
other
Mg6Ga1C1
8
38
152.45
mp-1028202
-7.271631
-10.937629
5.428054
other
Mg14Al1Zn1
16
38
348.44
mp-1022713
-7.093074
-10.990452
6.569932
other
Y1Mg6C1
8
38
194.18
mp-1216998
-5.394454
-3.506438
3.62253
other
Zr5Ti5Pb6
16
38
345.6
mp-1028397
-7.714618
-10.955703
5.778745
other
Mg14V1Ni1
16
38
336.19
mp-1026465
-7.068585
-11.405091
5.296403
other
Mg14Sb1C1
16
38
361.19
mp-1027831
-8.019316
-11.07665
5.888464
other
Mg14Fe1Mo1
16
38
327.71
mp-1026616
-6.503406
-11.146544
6.017267
other
Cs1Sr1Mg14
16
38
429.6
mp-1026713
-6.934193
-11.309534
5.889637
other
Na1Mg14C1
16
38
358.59
mp-1028238
-7.838077
-11.022495
5.869065
other
Mg14Al1Mo1
16
38
339.19
mp-1099287
-7.380748
-11.166812
5.551102
other
Mg6Fe1C1
8
38
149.97
mp-1100989
13.036819
8.158074
-0.55617
other
Tm6B6O14
26
38
319.99
mp-1017322
-7.181449
-11.464274
4.841334
other
Mg12Si2Bi2
16
38
364.69
mp-1022081
-7.186801
-11.587173
5.596149
other
Mg6Co1C1
8
38
141.35
mp-1021410
-8.360863
-11.436823
5.833453
other
Mg12Sn2W2
16
38
328.17
mp-1023047
-6.66915
-11.197309
6.014421
other
Ba2Mg12Mn2
16
38
421.13
mp-1215259
-6.47421
-3.310272
3.778823
other
Zr4Ti4Pt4
12
38
219.72
mp-1228855
-6.050779
-6.249179
1.366668
other
Cs1Rb2Au7
10
38
280.34
mp-1028329
-7.339095
-11.08146
4.85556
other
Mg14Ni1Bi1
16
38
351.82
mp-1022188
-6.482485
-11.2515
5.820615
other
Ba2Mg12Cu2
16
38
425.5
mp-1021698
-6.873706
-11.151195
6.126831
other
Ba2Mg12V2
16
38
418.2
mp-1026829
-6.876379
-11.034411
5.627389
other
K1Mg14Cd1
16
38
389.04
mp-1028117
-6.923948
-11.135134
5.867651
other
Rb1Mg14Mn1
16
38
386.62
mp-1026792
-7.302666
-10.614882
6.243495
other
La1Mg14Si1
16
38
373.83
mp-1227330
-5.966031
-6.917128
3.386326
other
Ca2Ga1Sn1
4
38
115.33
mp-1219358
-7.321658
-0.629286
5.577941
other
Sc4Al4Fe4
12
38
194.36
mp-1021166
-6.754484
-11.073236
5.82123
other
Na2Mg12Si2
16
38
354.03
mp-1023005
-7.385399
-11.078812
5.755656
other
Mg12Mn2Si2
16
38
314.43
mp-1022875
-7.592844
-10.180852
6.548362
other
Y2Mg12Zn2
16
38
371.06
mp-1022051
-7.208889
-11.533769
5.595358
other
Mg6Co1C1
8
38
142.61
mp-1026642
-6.967818
-11.110825
5.903852
other
Rb1Mg14Cr1
16
38
391.62
mp-1099323
-7.665152
-9.966431
6.470944
other
Ce1Mg6Cu1
8
38
189.64
mp-1017055
-7.272704
-10.912227
5.106796
other
Mg12Cd2Ga2
16
38
346.82
mp-1216085
-8.967069
-6.395485
3.246268
other
Y3Zn2Au4
9
38
187.22
mp-1206030
-7.105391
-4.297311
4.83216
other
Tm2Ge6Pt1
9
38
181.34
mp-1017034
-8.564152
-11.222717
6.064595
other
Mg12Ga2W2
16
38
314.07
mp-1100164
-6.319856
-11.635372
6.101191
other
Rb1Mg6B1
8
38
213.3
mp-1173766
6.865945
10.501747
-1.756943
other
Na4Co6O12
22
38
372
mp-1026806
-7.010853
-11.380118
5.793736
other
Li1Mg14B1
16
38
339.59
mp-1022075
-7.776206
-10.22059
6.593511
other
Hf2Mg12Cu2
16
38
332.62
mp-1017287
-6.872159
-10.888283
5.41094
other
Na2Mg12Cd2
16
38
375.32
mp-1217902
-5.689836
-1.928505
3.629167
other
Ta1Nb1Mo1
3
42
51.83
mp-1216598
9.372112
9.066235
2.80148
other
Tm2Cu1O4
7
42
85.19
mp-1215196
-5.291735
-3.621186
3.53547
other
Zr1U1Nb1
3
42
61.68
mp-757549
8.409798
10.383971
2.148022
other
La9Ni5O19
33
42
476.55
mp-1222953
-5.361219
-4.24074
0.490915
other
La2As4Au2
8
42
180.9
mp-1217897
-5.953687
-1.337393
3.751766
other
Ta1Mo1W1
3
42
49.42
mp-1217901
-5.703675
-2.003727
3.607839
other
Ta1Nb1W1
3
42
51.97
mp-1221118
-5.135213
-4.525916
6.212548
other
Nd30Si14Ni4
48
42
1,262.43
mp-669400
-5.523261
-2.010106
4.990318
other
Sc4Re8Si12
24
42
368.24
mp-1217987
-6.103033
-1.497904
3.862153
other
Ta3Co2Mo1
6
42
89.74
mp-1217551
-6.564097
-3.704608
3.88083
other
U6Ga4Ge6
16
42
317.8
mp-765569
11.480057
11.249666
-2.504823
other
Sb3W20O60
83
42
1,212.84
mp-1220705
-5.852577
-1.455416
3.730736
other
Nb2Cr1Mo2
5
42
80.28
mp-1227652
-5.11695
-4.491694
5.799387
other
Ce10Si5Ni1
16
42
378.13
mp-1224255
1.276646
2.371716
-5.415239
other
In8Sn8Cl24
40
42
1,116.48
mp-1220810
-5.627283
-2.73508
3.349026
other
Nb10Sn3Ge3
16
42
292.51
mp-675286
1.788063
1.650494
1.64228
other
Ca3U1N4
8
42
119.73
mp-1220102
-8.38573
-0.44741
4.453167
other
Pr2Ga6Co20
28
42
369.5
mp-1228123
-4.458454
-3.303051
-3.873595
other
Ba5Ga4Se10
19
42
566.98
mp-1210701
6.435495
0.440823
-3.578493
other
Li2B11H11
24
42
266.42
mp-567067
-5.471169
-6.211906
3.812727
other
Ba7Al4Ge9
20
42
586.22
mp-1216241
-5.904383
-0.69126
3.547897
other
V1Re1Mo1
3
42
44.53
mp-770118
9.518487
10.330195
3.134983
other
Ba3Ti2O7
12
42
177.76
mp-1173025
-1.76011
0.752911
-5.150025
other
Ag6S2I2
10
42
247.26
mp-1227328
5.896406
2.254894
-2.908758
other
Ca1B2C6
9
42
104.31
mp-1224087
-7.152651
-6.607494
4.394669
other
La6In2Pb8
16
42
498.43
mp-619101
-4.474206
-6.0969
1.85872
other
Cs18Zn3Ge24
45
42
1,692
mp-1217498
-5.350194
-3.403479
4.896409
other
U6Ga4Si6
16
42
299.91
mp-1216348
-6.196838
-0.74496
3.617619
other
V1Cr1Mo1
3
42
41.03
mp-565227
11.121827
12.532152
-3.442761
other
Na8V16O40
64
42
846.04
mp-1219326
-5.727768
-0.262917
3.405038
other
Si3B3W10
16
42
213.51
mp-1220369
-6.055407
-1.264627
3.856509
other
Nb1V1Re1
3
42
46.72
mp-625941
10.017373
4.474056
-4.083927
other
Te1H6O6
13
42
128.36
mp-1224379
-0.508079
1.171749
-4.525415
other
In8Sn8Br24
40
42
1,271.9
mp-755419
9.868207
8.609862
-0.292018
other
Bi2Te1O2
5
42
104.46
mp-676598
1.405726
2.308044
-5.345824
other
Tl8Pb8Cl24
40
42
1,153.26
mp-1225108
-8.180589
-6.135368
6.125787
other
Er10Ga5Co1
16
42
389.93
mp-37695
7.108692
9.502871
-1.88515
other
Ag7N1O11
19
42
241.21
mp-1216731
-6.580529
-1.481981
4.33761
other
Ti1Mn1V1
3
42
40.61