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-15514
-4.488232
-2.449624
-3.668388
other
Na8Se16
24
122
636.49
mp-1042100
-7.195605
2.804439
-5.804023
other
W2S4
6
122
144.61
mp-1042098
-3.907157
-0.573937
-4.689877
other
Ti2S4
6
122
170.7
mp-32672
-4.606244
-2.500268
-2.352574
other
Pu16Se24
40
122
996.93
mp-1077316
7.699099
5.173767
-4.792838
other
C2O4
6
122
47.01
mp-684712
-2.696932
-2.716114
-5.426402
other
Gd16S24
40
122
892.51
mp-1080260
-4.274349
-4.8293
-3.393042
other
Ce2Se4
6
122
254.78
mp-32594
-4.074736
-4.224453
-3.621858
other
Sm16Se24
40
122
1,034.3
mp-1042115
-4.752744
-0.846469
-4.705716
other
Ni2S4
6
122
116.46
mp-10074
-4.525687
-2.790876
-3.542392
other
Ge2Se4
6
122
168.66
mp-752
-5.793996
-1.526212
4.769149
other
Mn30Si52
82
122
983.51
mp-673650
-4.117422
-4.270618
-3.644207
other
Lu16Se24
40
122
945.24
mp-1232184
-4.23482
-4.195572
-3.539402
other
Pm16Se24
40
122
1,047.97
mp-32606
-3.4924
-4.99872
1.257007
other
Ba24P16
40
122
1,452.16
mp-569841
-5.21723
-7.124034
3.41333
other
Ba38Li88
126
122
4,237.51
mp-684708
-2.615715
-2.785225
-5.517453
other
Er16S24
40
122
840.23
mp-1080332
-4.259735
-5.015083
-3.402402
other
Ce2Se4
6
122
395.17
mp-32798
-3.994677
-4.144969
-3.63085
other
La16Se24
40
122
1,131.05
mp-1760
8.800429
2.006056
1.301377
other
U4F20
24
122
410.1
mp-32642
-2.635643
-2.799554
-5.642555
other
Lu16S24
40
122
817.84
mp-7583
-3.300306
-1.643357
-5.72479
other
Si2S4
6
122
134.03
mp-32850
-4.12279
-4.220105
-3.688928
other
Tm16Se24
40
122
957.87
mp-1202035
-5.407145
-0.999521
-4.311382
other
Ni36S32
68
122
1,009.49
mp-685003
-4.077146
-4.281058
-3.625936
other
Tb16Se24
40
122
990.01
mp-673644
-2.624359
-2.776421
-5.481735
other
Tb16S24
40
122
870.3
mp-1188205
6.926576
5.930037
-3.56127
other
Rb8O12
20
122
417.71
mp-1042086
-4.895997
0.769639
-4.374545
other
Mo2S4
6
122
162.51
mp-684680
-3.108
-2.326097
-5.115954
other
Yb16S24
40
122
922.38
mp-542044
-5.791247
-3.643951
1.956954
other
Zr22Sb36
58
122
1,406.16
mp-32688
-4.046704
-4.235887
-3.69826
other
Nd16Se24
40
122
1,070.84
mp-1759
8.915714
2.095864
1.460108
other
U4F20
24
122
358.85
mp-1042111
-4.856195
-0.173678
-5.524716
other
Cr2S4
6
122
144.39
mp-1173507
-5.589412
-3.829128
-0.342645
other
Np16Te24
40
122
1,201.5
mp-1397283
-4.793807
-0.784731
-4.97162
other
Mn2S4
6
122
140.97
mp-32933
-2.592212
-2.809794
-5.52553
other
Tm16S24
40
122
832.61
mp-1002063
-3.521017
-1.470181
-5.56181
other
Sn2S4
6
122
172.5
mp-32891
-2.673672
-2.721802
-5.529151
other
Y16S24
40
122
870.81
mp-1101173
0.849557
2.864917
1.645939
other
W2N4
6
122
146.03
mp-684911
-5.825297
-3.863901
-1.285962
other
Sm16Te24
40
122
1,273.32
mp-1042106
-4.465603
-0.581997
-4.763479
other
Co2S4
6
122
125.66
mp-684787
-5.323929
-3.610981
0.44154
other
U16Te24
40
122
1,174.19
mp-1195042
-5.386072
-7.200484
3.56452
other
Sr38Li88
126
122
3,878.5
mp-1227413
-5.825518
-4.245986
-1.640205
other
Bi4Te2
6
122
203.96
mp-32736
-4.109955
-4.240328
-3.597392
other
Er16Se24
40
122
965.86
mp-32645
-2.794198
-2.77388
-5.309706
other
Sm16S24
40
122
916.07
mp-1394093
-4.716063
-1.599387
-5.666179
other
Cu4S2
6
122
84.77
mp-32581
-5.790014
-3.858452
-1.352493
other
Pr16Te24
40
122
1,335.67
mp-1383615
-4.584366
-0.825826
-4.959851
other
Fe2S4
6
122
132.39
mp-32906
-2.582665
-2.746189
-5.355872
other
La16S24
40
122
1,008.87
mp-12180
-2.882907
-0.950549
-5.337737
other
Na8S16
24
122
535.22
mp-684844
-5.482033
-3.247599
-0.235525
other
Pu16Te24
40
122
1,207.44
mp-32692
-2.625221
-2.821199
-5.470479
other
Pr16S24
40
122
974.19
mp-1042127
-3.75613
-1.741418
-5.126662
other
Bi2S4
6
122
225.41
mp-32787
-2.631902
-2.723003
-5.534103
other
Ho16S24
40
122
850.82
mp-546794
15.455894
5.721725
0.354766
other
Si2O4
6
122
89.74
mp-1042075
-3.392974
-1.08222
-5.116474
other
Sb2S4
6
122
213.01
mp-32826
-2.614417
-2.719497
-5.500012
other
Dy16S24
40
122
860.49
mp-673656
-4.060515
-4.22498
-3.681099
other
Y16Se24
40
122
994.32
mp-684922
-3.893222
-3.507418
-2.781995
other
Np16Se24
40
122
973.75
mp-1102681
6.318649
2.854294
-3.087494
other
C4N8
12
122
71.99
mp-32800
-2.703668
-2.744747
-5.564225
other
Ac16S24
40
122
1,118.41
mp-685041
-4.050311
-4.285026
-3.660891
other
Ho16Se24
40
122
976.29
mp-32689
-3.995
-4.280803
-3.706343
other
Pr16Se24
40
122
1,094.12
mp-32578
-3.918695
-4.048652
-3.155604
other
Ce16Se24
40
122
1,056.97
mp-32586
-2.742961
-2.820793
-5.418191
other
Nd16S24
40
122
951.66
mp-32629
-2.876271
-2.851526
-4.664156
other
Ce16S24
40
122
928.39
mp-33239
-4.225128
-2.22008
-2.953392
other
Pu16S24
40
122
865.08
mp-22909
1.583711
2.347172
-5.324923
other
Zn2Cl4
6
122
154.7
mp-1203373
-8.047937
-2.528407
3.798879
other
Ge44Rh34
78
122
1,247.37
mp-1182382
6.581416
5.805576
-3.609841
other
Ca2O20
22
124
264.42
mp-600006
15.435577
5.734107
0.303125
other
Si20O40
60
124
1,009.53
mp-1182576
6.605364
5.853779
-3.650322
other
Ba2O20
22
124
348.43
mp-1179224
6.588648
5.854406
-3.620026
other
Sr2O20
22
124
302.41
mp-20196
-5.632167
-2.32771
-1.562567
other
Nb2Te8
10
124
304.65
mp-1182183
6.61781
5.902283
-3.656682
other
Ca2O20
22
124
312.47
mp-1078815
-4.523807
-1.214463
-3.026251
other
Nb2Se8
10
124
229.63
mp-1179236
6.607208
5.906377
-3.679527
other
Sr2O20
22
124
368.54
mp-1182511
6.603391
5.845374
-3.751976
other
Ba2O20
22
124
398.71
mp-1182404
6.637909
5.79296
-3.62634
other
Ba2O20
22
124
334.42
mp-22817
-5.665079
-2.38253
-1.501987
other
Ta2Te8
10
124
304.72
mp-1526
-7.959228
-7.30172
3.901419
other
Ti2Hg2
4
123
74.59
mp-1213
-6.28192
-5.144985
2.111646
other
Nd1Sb1
2
123
58.28
mp-7754
-5.806628
-2.260885
5.411381
other
Si2Ru1
3
123
43.79
mp-1206688
10.72833
9.182582
-0.123533
other
Sn2O1
3
123
87.06
mp-1225170
-5.767727
-1.55698
4.65458
other
Fe4Si10
14
123
186.6
mp-1009583
-5.459332
-4.213065
0.686618
other
Pr1As1
2
123
50.54
mp-1208775
-2.64671
-8.308964
1.643945
other
Tb2Ga12
14
123
3,837.76
mp-1206755
-7.273261
-6.812038
4.991542
other
Ce1Tl1
2
123
59.01
mp-1219175
12.157009
8.716381
2.008472
other
Sm2O1
3
123
62.82
mp-11841
-7.995667
-6.305182
4.164334
other
Ce1Ag1
2
123
47.59
mp-1207280
-4.171355
-4.791814
-1.471976
other
Ho2Te3
5
123
3,292.48
mp-10177
-6.154624
-4.968204
1.799603
other
La1Sb1
2
123
60.94
mp-1219474
-5.821445
-5.240762
0.450909
other
Sb3Au1
4
123
110.86
mp-522
-8.907406
-5.151921
2.715299
other
Cu2Au2
4
123
58.21
mp-1147758
1.778016
2.502592
-5.08631
other
Cu1Cl2
3
123
88.24
mp-1057320
-8.474935
-1.947511
2.240343
other
Ni1Hg1
2
123
31.35
mp-985825
-7.389226
-3.846303
5.755528
other
Al3Cu1
4
123
58
mp-1018810
0.870069
1.965828
-4.542992
other
Na4Cl2
6
123
159.24
mp-568748
-7.090446
0.884266
3.821868
other
Fe2B1
3
123
30.61
mp-1105489
-8.193189
-0.383166
4.105144
other
Hf1Co7
8
123
96.05