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-1227001
-5.096786
-2.865507
-4.113494
other
Cd2Ga1Cu1Se4
8
121
208.18
mp-1079426
-4.515027
-2.99637
-3.99088
other
Tl2Si1Hg1Se4
8
121
230.37
mp-1219779
-6.043043
-3.770003
-2.013011
other
Pr1Tl2In1Te4
8
121
281.43
mp-19896
-3.50735
-1.570366
-5.770265
other
Li2Ge1Pb1S4
8
121
170.71
mp-569859
-6.019069
-3.493623
-2.2247
other
Mn1Tl2Sn1Te4
8
121
267.46
mp-1087540
-6.139914
-3.136517
-2.232325
other
Cd1Cu2Si1Te4
8
121
229.1
mp-752844
13.491824
7.617403
-0.796638
other
Li4Mn2Si2O8
16
121
174.41
mp-1220512
-5.557675
-2.450679
2.800062
other
Nb8Fe2Sb4Pd1
15
121
277.22
mp-764642
12.752145
7.288519
-1.562682
other
Li8Co4Si4O16
32
121
336.6
mp-9490
-3.572802
-1.368453
-5.564963
other
K1Ag2Sb1S4
8
121
213.8
mp-1215797
-4.690135
-1.34107
-5.749537
other
Zn2Cu10Sb4S13
29
121
568.56
mp-12854
-6.177444
-3.012633
-2.317542
other
Zn1Cu2Ge1Te4
8
121
224.01
mp-1025568
-5.975361
-3.199414
-2.220573
other
Mn1Ag2Ge1Te4
8
121
255.75
mp-1078292
-4.653149
-1.322826
-5.870643
other
Cd1Cu2Sn1S4
8
121
173.4
mp-2222834
-4.60835
-1.312768
-5.790191
other
Mg1Cu2Ge1S4
8
121
157.85
mp-1227008
-6.099599
-3.277491
-2.320148
other
Cd2Ga1Cu1Te4
8
121
255.4
mp-20002
-4.463542
-1.11418
-5.695566
other
Fe1Ag2Sn1S4
8
121
186.41
mp-16566
-5.023942
-2.744932
-4.230657
other
Cu2Sn1Hg1Se4
8
121
204.22
mp-1227478
10.0117
7.387816
-1.629726
other
Ca4Al4Si2O16
26
121
354.06
mp-1226169
-4.613003
-1.348791
-5.782212
other
Cu10Hg2Sb4S13
29
121
590.28
mp-1239142
-5.396791
-2.356325
-3.888887
other
Mn2In1Cu1Se4
8
121
177.64
mp-1079645
-4.713837
-3.077637
-3.877037
other
K2Cd1Sn1Se4
8
121
242.71
mp-1025540
-6.142461
-3.035049
-2.180598
other
Mn1Cu2Si1Te4
8
121
220.39
mp-1087471
-5.37875
-2.449367
-4.029619
other
Fe1Cu2Ge1Se4
8
121
177.68
mp-11771
-5.292273
-2.474597
-4.038066
other
Co1Cu2Sn1Se4
8
121
183.62
mp-560465
6.779171
10.332276
-1.371103
other
K11Li1Mn4O16
32
121
564.39
mp-1227025
-6.125772
-3.327423
-2.297803
other
Cd2In1Cu1Te4
8
121
269.05
mp-22053
-4.717501
-1.075054
-5.646463
other
Fe1Cu2Ge1S4
8
121
149.17
mp-1226848
10.634188
7.787505
2.961297
other
Ce4Cu3S4O4
15
121
249.59
mp-1147586
-4.082777
-1.460094
-5.63476
other
Sr1Cu2Ge1S4
8
121
165.29
mp-1215550
-6.09167
-3.349911
-2.306795
other
Zn2In1Ag1Te4
8
121
258.18
mp-6602
13.270373
4.986352
-2.885686
other
Sr2Cu4B4O12
22
121
282.52
mp-1021497
-3.575394
-1.551719
-5.905462
other
Li2Si1Sn1S4
8
121
161.79
mp-1520143
11.417184
10.499509
2.664726
other
La1Ti2Ga1O6
10
121
121.61
mp-1080691
-6.006909
-3.63161
-1.951226
other
Rb2Sn1Hg1Te4
8
121
299.92
mp-1215565
-6.179568
-3.178455
-2.379347
other
Zn2Ga1Cu1Te4
8
121
230.36
mp-1191338
-3.437669
-1.333731
-5.585748
other
Tl4Hg4As4S12
24
121
723.96
mp-1225202
5.294115
2.860519
-3.208411
other
Fe4P6S1N12
23
121
230.73
mp-1233253
10.891283
9.306926
0.648652
other
Dy6Mg1Sb10O24
41
121
657.5
mp-1079889
-4.19517
-1.402796
-5.943285
other
Zn1Ag2Sn1S4
8
121
189.26
mp-1225890
-4.625067
-1.277709
-5.629317
other
Cu9Sb1As2S12
24
121
457.92
mp-1079848
-6.07891
-2.952721
-1.746187
other
Ga1Fe2Ag1Te4
8
121
235.68
mp-569246
-6.026565
-3.625395
-2.200392
other
Tl2Hg1Ge1Te4
8
121
266.39
mp-1220464
-5.596806
-2.589008
2.749289
other
Nb8Si2Sb4Pd1
15
121
278.19
mp-11770
-4.778343
-1.024846
-5.679812
other
Co1Cu2Sn1S4
8
121
156.97
mp-1215701
-6.174482
-3.193515
-2.348089
other
Zn2In1Cu1Te4
8
121
242.53
mp-1220095
-6.030736
-3.794404
-2.001304
other
Nd1Tl2In1Te4
8
121
282.09
mp-1215816
-5.219076
-2.843058
-4.198053
other
Zn2In1Cu1Se4
8
121
195.33
mp-1223282
5.98652
8.831778
-1.017395
other
K1Sr1Bi2O6
10
121
156.49
mp-19722
-4.85152
-1.150984
-5.824815
other
Mn1Cu2Sn1S4
8
121
164.26
mp-1521419
12.651834
10.096132
2.08025
other
Ce1Nb2In1O6
10
121
134.29
mp-1218102
7.077608
11.983849
1.861559
other
Sr1Nd1Mn2O6
10
121
118.96
mp-12015
10.844972
7.77719
-2.972483
other
K1Ag2As1O4
8
121
130.08
mp-39412
7.085458
11.959595
1.954111
other
Sr1La1Mn2O6
10
121
119.23
mp-12855
-5.078605
-2.79095
-4.248722
other
Cu2Hg1Ge1Se4
8
121
192.48
mp-2227170
-4.599214
-0.633801
-5.44497
other
Mg1Cu2W1S4
8
121
175.36
mp-2217111
11.616922
9.9108
1.394854
other
La2Mg1Mo1O6
10
121
164.26
mp-16565
-5.14239
-2.823244
-4.129693
original
Cd1Cu2Sn1Se4
8
121
202.83
mp-1206870
-6.15876
-2.975344
-2.231138
other
Mn1Cu2Ge1Te4
8
121
224.58
mp-1079468
-6.114153
-3.143337
-2.305398
other
Zn1Cu2Sn1Te4
8
121
235.27
mp-1227581
-4.670739
-1.351703
-5.692576
other
Cd2Cu10Sb4S13
29
121
592.12
mp-1226135
5.679988
2.97662
-3.410718
other
Co4P6S1N12
23
121
226.14
mp-752853
13.766012
8.003893
-0.859914
other
Li8Fe4Si4O16
32
121
343.97
mp-1223667
-5.861345
-3.759255
-1.837801
other
K2Ba1Sn1Te4
8
121
315.09
mp-6498
-4.647501
-1.102616
-5.538576
other
Co1Cu2Ge1S4
8
121
146.79
mp-1228424
9.756883
9.620031
3.884323
other
Ba8Ca2Zr10O30
50
121
755.23
mp-10967
-5.15085
-2.857006
-4.165494
other
Cd1Cu2Ge1Se4
8
121
191.22
mp-1091413
-6.062127
-3.189752
-2.260054
other
Cd1Cu2Sn1Te4
8
121
247.57
mp-10824
-5.213549
-2.797804
-4.203897
other
Zn1Cu2Ge1Se4
8
121
180.4
mp-570051
-6.071151
-3.684374
-2.202179
other
Tl2Sn1Hg1Te4
8
121
275.87
mp-1080805
-3.138804
-0.922283
-4.912078
other
Ag2As1S4N1
8
121
183.83
mp-2240539
-4.685386
-1.319825
-5.816326
other
Mg1Ti1Cu4S4
10
121
170.97
mp-1197065
-4.630739
-5.335549
0.498039
other
Ba13Si6Sn8As22
49
121
1,475.55
mp-1078676
-4.592404
-3.001487
-4.001681
other
Tl2Sn1Hg1Se4
8
121
241.4
mp-1212038
-5.531838
-2.397826
-4.026733
other
In1Fe1Cu2Se4
8
121
186.41
mp-1078498
-6.169899
-3.080607
-2.293539
other
Zn1Cu2Si1Te4
8
121
212.44
mp-1025500
-4.704658
-1.287228
-5.988552
other
Zn1Cu2Sn1S4
8
121
157.16
mp-12532
-2.580774
-0.53505
-5.498148
other
K1Ag2P1S4
8
121
188.36
mp-20505
-5.656413
-3.191372
-1.67976
other
Ta2In1Cu1Te4
8
121
268.4
mp-1095411
-8.030371
-3.227245
4.34836
other
Eu1In2Ge4Ir4
11
121
217.12
mp-568890
-6.037384
-3.545309
-2.247742
other
Tl2Cd1Ge1Te4
8
121
266.77
mp-1215542
-5.215079
-2.802695
-4.227669
other
Zn2Ga1Cu1Se4
8
121
185.04
mp-570076
-6.076078
-3.592602
-2.254856
other
Tl2Cd1Sn1Te4
8
121
274.56
mp-16564
-5.213361
-2.797369
-4.175762
other
Zn1Cu2Sn1Se4
8
121
190.97
mp-1223855
-6.034843
-3.614568
-1.991798
other
K2Sn1Hg1Te4
8
121
288.45
mp-1232397
-5.132926
-2.862694
-4.257187
other
Zn1Cu2Si1Se4
8
121
174.92
mp-7611
12.049059
7.29563
-0.579622
other
Li2Ca1Ge1O4
8
121
90.9
mp-10952
-4.490399
-1.349731
-5.97587
other
Cu2Hg1Ge1S4
8
121
159.07
mp-1025532
-6.097344
-3.085522
-2.204027
other
Mn1Cu2Sn1Te4
8
121
237.77
mp-752606
11.687634
7.415356
-2.290172
other
Li2Cu1Si1O4
8
121
83.14
mp-6408
-4.618454
-1.296991
-5.900062
other
Zn1Cu2Ge1S4
8
121
147
mp-1221883
-6.027771
-3.218144
-2.156136
other
Mn2In1Ag1Te4
8
121
267.14
mp-1225567
-3.607916
-1.667411
-5.549257
other
Dy1Tl2In1S4
8
121
216.65
mp-1215696
-4.435906
-1.37327
-6.076558
other
Zn2In1Cu1S4
8
121
167.34
mp-1147571
-4.20098
-1.410089
-5.622499
other
K1Cu2Ge1S4
8
121
168.88
mp-1079012
-6.075181
-3.281993
-2.190147
other
Cu2Sn1Hg1Te4
8
121
250.15
mp-11769
-4.611252
-1.150369
-5.751919
other
Co1Cu2Si1S4
8
121
141.7
mp-1221849
5.947146
2.923636
-3.151773
other
Mn4P6S1N12
23
121
233.78
mp-1206353
-4.960946
-2.760977
-4.206014
other
Zn2Ga1Ag1Se4
8
121
197.7
mp-7394
-3.474408
-1.513811
-5.65618
other
Ba1Ag2Ge1S4
8
121
195.47