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-1215623
8.718708
13.310076
-1.044299
other
Zn1Fe4Co1O8
14
216
155.91
mp-2232152
10.241232
12.46159
-0.728958
other
Mg1Fe4Co2O8
15
216
186.43
mp-2232277
-5.047485
-0.834603
-5.011836
other
Mg1Zn2Co4S8
15
216
270.85
mp-1219300
-7.93448
-2.612567
3.187025
other
Sc1Co1Ni1Sn1
4
216
60.84
mp-1226247
-5.566465
-0.361095
-5.827331
other
Cr4Ga1Cu1S8
14
216
248.99
mp-1221684
-5.62193
-0.356701
-5.55569
other
Mn1Cr4Co1S8
14
216
250.21
mp-1215758
11.188054
13.136952
-0.150789
other
Zn1Cr4Ni1O8
14
216
151.69
mp-1226289
-5.729028
-0.359241
-5.418579
other
Cr4Fe1Ni1S8
14
216
235.56
mp-1221358
9.387096
14.015237
-0.738029
other
Mn6Bi1P1O12
20
216
238.26
mp-1222043
11.579625
12.941752
-0.024482
other
Mg1Cr4Fe1O8
14
216
154.41
mp-551629
11.255663
11.174979
-3.687726
other
Cs1Li1Mo1O4
7
216
147.76
mp-1226342
-5.694785
-0.259508
-5.415471
other
Cr4Co1Ni1S8
14
216
231.69
mp-1233438
7.299153
10.884554
0.040545
other
Yb4Mg1Ru4O14
23
216
281.29
mp-1104718
2.902664
-0.56789
-1.763086
other
Nd1Mg1Ni4H7
13
216
112.25
mp-1104869
8.042893
8.896313
-3.625961
other
Cd1Re2N4O8
15
216
294.87
mp-998971
-6.64513
-0.710871
3.624473
other
Ti1Fe1Co1Si1
4
216
46.9
mp-14432
-8.492212
2.285778
-3.982765
other
Ga1Te4Mo4Se4
13
216
313.04
mp-1104454
-5.456686
-1.823054
-1.800204
other
Ta4Ga1Te4Se4
13
216
334.55
mp-1213862
7.454563
8.174513
-3.591051
other
Cd1Os2N4O8
15
216
316.5
mp-571584
-6.631067
-4.418283
0.858656
other
Li1Mg1Sb1Pt1
4
216
69.89
mp-1202832
-4.841035
-7.44251
3.294374
other
Ba38Na58Li26H1
123
216
5,148.87
mp-1233556
11.997366
8.020272
-1.065164
other
Mg1In4Ge4O14
23
216
269.79
mp-1066609
-6.719181
-0.688999
3.262856
other
V1Fe1Co1Si1
4
216
45.12
mp-1225020
-5.439563
-0.897495
-4.032159
other
Fe1Cu1Rh4S8
14
216
232.28
mp-7554
-7.880537
-6.133555
2.480553
other
Li1Mg1Sn1Au1
4
216
75.6
mp-1225195
5.248478
3.813255
-4.205212
other
Fe2C6N6O4
18
216
324.64
mp-2220780
8.269452
11.627949
-0.970506
other
Mg1Cu2Rh4O8
15
216
195.33
mp-1225064
-5.427768
-0.901985
-3.854149
other
Fe1Co1Rh4S8
14
216
228.74
mp-1235586
7.377664
10.896183
-0.040513
other
Li1Yb4Ru4O14
23
216
273.78
mp-1211167
-5.479193
-0.223004
-5.865242
other
Li1Cr4Ga1S8
14
216
256.75
mp-1018024
-7.168814
-0.556337
3.336521
other
Mn1Fe1Co1Ge1
4
216
46.77
mp-1104410
11.158744
10.942337
0.450825
other
Ba1Dy1Fe4O7
13
216
188.01
mp-1215619
-5.553322
-1.855935
-3.929062
other
Zn1Cr4Cu1Se8
14
216
290.26
mp-1221328
-7.829794
-2.05837
2.718942
other
Mn1Ni1Sn1Rh1
4
216
59.51
mp-1226341
-5.576975
-0.299124
-5.684254
other
Cr4Cd1Co1S8
14
216
260.25
mp-985592
-3.101899
-1.104666
-5.782326
other
Li6P1S5Cl1
13
216
271.55
mp-1226044
-5.642972
-0.674994
-4.137228
other
Co4Cu1Ni1S8
14
216
207.36
mp-1226405
-5.656777
-1.655811
-3.909427
other
Cr4Cu1Ni1Se8
14
216
275.84
mp-22413
4.282414
2.358694
-3.290249
other
Fe1Cu2C6N6
15
216
264.27
mp-1221332
-7.703142
-2.854433
2.490702
other
Mn1Ni1Sn1Pd1
4
216
61.3
mp-560544
9.706474
8.753101
1.261147
other
Ba6Zn10In4O22
42
216
624.11
mp-2227944
-5.221939
-0.798658
-5.381456
other
Mg1Mn4Zn1S8
14
216
267.45
mp-1213726
-6.715209
-0.587873
3.448501
other
Cr1Fe1Co1Si1
4
216
44.04
mp-1385922
7.83998
11.447567
-1.496479
other
Ca1Fe1W1O6
9
216
120.15
mp-2226796
13.02158
8.525805
-0.212105
other
Mg1Al4Cu2O8
15
216
180.57
mp-1182061
3.251037
-0.797722
-2.337596
other
Ba1Na1H6Ir1
9
216
120.71
mp-21498
4.298513
2.391263
-3.227766
other
Fe1Ni2C6N6
15
216
252.25
mp-1226293
-5.519977
-0.268278
-5.870874
original
Cr4In1Ag1S8
14
216
272.26
mp-1221710
-5.707342
-1.053284
-4.814299
other
Mn2Cr4Se4S4
14
216
281.66
mp-1221633
-7.37178
-0.478758
3.814498
other
Mn1Al1Fe1Co1
4
216
46.09
mp-1018012
-6.723756
-0.633937
3.435551
other
Ti1Fe1Co1Ge1
4
216
49.15
mp-1221688
8.946046
13.467571
-1.012506
other
Mn1Fe4Cu1O8
14
216
159.13
mp-7555
-7.854835
-5.446527
2.545102
other
Li1Mg1Sn1Pd1
4
216
69.36
mp-15862
-5.091232
1.171646
-4.861582
other
Ga1Mo4C1S8
14
216
264.35
mp-998964
-6.887343
-0.735385
3.733312
other
Ti1Ga1Fe1Co1
4
216
47.76
mp-1233547
7.817256
11.042542
-0.410517
other
Ca1Ag4Ru4O12
21
216
297.81
mp-1235436
12.862749
8.104094
-0.264635
other
Li1Sc4Si4O14
23
216
214.23
mp-1214416
11.048403
10.998895
0.462241
other
Ba1Er1Fe4O7
13
216
192.03
mp-2232749
7.623685
10.740735
-0.643224
other
Mg1Cu6Pb1O8
16
216
233.9
mp-1221854
-7.5667
0.350955
3.56353
other
Mn1Co21B6Mo1
29
216
281.54
mp-998980
-6.883085
-0.589112
4.028802
other
Ti1Al1Fe1Co1
4
216
49.02
mp-1226682
-8.338371
-5.870974
3.850668
other
Ce1In1Cu1Ag1
4
216
84.23
mp-1210055
9.499682
7.273345
-2.369357
other
Na1Al1Si1O5
8
216
116.08
mp-570185
-4.836882
-7.43402
3.288408
other
Ba38Na58Li26N1
123
216
5,089.56
mp-1215697
11.245893
13.113281
-0.082099
other
Zn2Cr8Co2O16
28
216
305.01
mp-866690
2.521485
2.015
1.866012
other
La17Al4Si9N33
63
216
922.05
mp-10179
-6.339852
-4.768754
0.708174
other
Li1Mg1Sb1Pd1
4
216
70.61
mp-1214187
10.138016
11.69119
-0.282626
other
Ba1Yb1Fe4O7
13
216
190.86
mp-999552
-7.404984
-0.408736
3.575179
other
Mn1Ga1Fe1Co1
4
216
46.69
mp-1221649
-7.592096
-1.64737
2.710618
other
Mn1Co1Ni1Sn1
4
216
54.68
mp-1235058
6.707728
5.72935
-3.225864
other
Li1Ag1Cl1O4
7
216
111.77
mp-1226300
-5.65375
-0.416413
-5.339164
other
Cr4Fe1Co1S8
14
216
237.14
mp-2232276
-5.38264
-0.868796
-4.077117
other
Mg1Cu2Ir4S8
15
216
280.43
mp-2232381
-4.896539
-0.975116
-5.489723
other
Mg1Mn4Zn2S8
15
216
301.34
mp-2228612
11.287997
9.303158
-0.242646
other
Mg1Ga4Cu2O8
15
216
192.15
mp-985582
-3.159893
-1.060336
-5.738246
other
Li6P1S5I1
13
216
277.42
mp-1217928
-5.204838
-2.643267
-4.007764
other
Ta1Nb1Cu6Se8
16
216
368.82
mp-2226987
7.688478
10.644809
-0.826452
other
Mg1Al2Cu4O8
15
216
164.9
mp-1198152
7.856273
8.423923
-2.740751
other
Al13Si5Cl1O38
57
216
683.47
mp-11806
-7.770569
-4.969537
2.692363
other
Li1Mg1Sn1Pt1
4
216
66.65
mp-1221622
-7.768003
-1.917905
2.795233
other
Mn1Co1Sn1Rh1
4
216
58.65
mp-1235296
8.363385
11.484008
-0.825329
other
Li1Cu2Rh4O8
15
216
174.86
mp-1221813
-5.517266
-0.432785
-5.739309
other
Mn1Cr4Cd1S8
14
216
268.64
mp-1233142
7.334874
10.704314
0.034468
other
Ca1Yb4Ru4O14
23
216
290.37
mp-1211182
-5.47053
-0.207965
-5.892238
other
Li1Cr4In1S8
14
216
267.41
mp-1221753
-5.462747
-1.91466
-3.831573
other
Mn1Cr4Cd1Se8
14
216
313.93
mp-1066581
-7.18261
-0.51464
3.445187
other
V1Ga1Fe1Co1
4
216
47.23
mp-1215673
-5.666815
-1.088243
-4.830199
other
Zn2Cr4Se4S4
14
216
275.79
mp-1234279
11.810465
8.400067
-0.990419
other
Ca1In4Ge4O14
23
216
283.32
mp-2232207
7.483657
13.516985
-1.596302
other
Mg1Be2Co4O8
15
216
149.35
mp-1216950
-7.609173
-1.963833
2.894991
other
Ti1Co1Ni1Sn1
4
216
56.65
mp-2228597
-5.578707
-0.595165
-4.429639
other
Mg1Zn1Co4S8
14
216
229.81
mp-1226914
-4.61403
-2.207897
-4.862087
other
Cd2In4Se4S4
14
216
363.11
mp-1235767
6.774364
5.640404
-3.115423
other
Li1Ag1Cl1O4
7
216
130.49
mp-1221573
-8.381325
-4.942625
2.35954
other
Mn1In1Ag1Pd1
4
216
69.48
mp-998974
-6.893237
-0.717296
3.155252
other
Ti1Fe1Co1As1
4
216
49.77
mp-1226315
-5.655579
-1.864856
-3.865672
other
Cr4Fe1Cu1Se8
14
216
288.11
mp-2228675
7.475736
11.911633
-1.278246
other
Mg1Cu2Ni4O8
15
216
170.86
mp-1221630
-7.875096
-2.244691
2.571707
other
Mn1Cu1Ni1Sn1
4
216
57.09
mp-1226265
-5.660819
-0.259186
-5.619091
other
Cr4Co1Cu1S8
14
216
236.38