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-1217046
-5.207628
-3.503386
5.294695
other
U2Cu3Si4Ni1
10
115
154.41
mp-1223892
9.258776
0.372174
0.400337
other
K3Rb1Mn2F12
18
115
303.11
mp-1226778
-5.729588
-2.520468
5.792823
other
Ce2Si4Os1Ru3
10
115
171.35
mp-1227184
8.143142
10.260164
-3.484547
other
Ca1Nd3Cr4O16
24
115
352.91
mp-1216768
-6.122006
-2.999928
-2.201214
other
Tl2Fe1Cu3Te4
10
115
251.86
mp-1216669
-5.521163
-1.860676
-3.245147
other
Tl2Co3Ni1Se4
10
115
204.34
mp-1215994
-9.43841
-0.464528
4.463744
other
Y1Lu1B8Rh8
18
115
212.65
mp-1228465
7.842348
9.471796
1.435499
other
Ba2Y1Cu3O6
12
115
195.45
mp-1226110
-5.659578
-0.280719
-5.377952
other
Cr8Co3Ni1S16
28
115
463.78
mp-1216037
4.218503
2.280114
-3.208821
other
Zn3Rh2C12N12
29
115
601.61
mp-1215947
-9.038281
-0.814685
4.191272
other
Y1Lu1B8Ir8
18
115
217.17
mp-1226784
10.93758
7.750337
3.033547
other
Ce2Mn1Se2O2
7
115
147.92
mp-1222531
12.74966
13.310993
-0.96141
other
Li3V8Zn1O16
28
115
299.12
mp-2223055
9.158573
10.68195
0.208233
other
K2Mg1Co2O4
9
115
119.35
mp-651268
-4.850853
-1.212472
-5.739965
other
Fe2Cu6Sn1S8
17
115
307.74
mp-1220437
-5.389212
-2.072078
5.816595
other
Nd2Mn1Fe3Si4
10
115
159.76
mp-1105236
-4.743584
-1.266869
-5.85328
other
Fe1Cu6Sn2S8
17
115
329.44
mp-1227056
-7.821064
-2.441974
5.25492
other
Ce2Co1Ge4Ru3
10
115
178.19
mp-1217925
-4.505295
-1.210271
-5.59871
other
Ta1Nb1Cu6S8
16
115
340.05
mp-1235441
11.968633
9.218588
2.578678
other
Li1Zr2Se2O2
7
115
119.25
mp-1216993
-7.613347
-2.916311
4.925171
other
U2Co3Cu1Ge4
10
115
161.76
mp-1222099
11.61808
12.814664
-0.034255
other
Mg1Cr8Fe3O16
28
115
311.77
mp-1223127
10.133629
10.792463
3.015573
other
La8Ti8Co4O32
52
115
706.67
mp-1216418
-4.834145
0.277395
-4.737873
other
V8Ga1Ge1S16
26
115
459.72
mp-754484
12.055882
12.542857
-1.977304
other
Li8Ti2V6O20
36
115
415.04
mp-1223151
9.914359
10.846198
3.074391
other
La2Ti2Cu1O8
13
115
170.97
mp-1215745
8.520662
13.366227
-1.029335
other
Zn3Fe8Co1O16
28
115
312.93
mp-1227098
-7.914999
-2.596647
5.113852
other
Ce2Co3Ge4Ru1
10
115
170.58
mp-1224106
-5.318036
-3.430123
-2.700863
other
In3Cu1As2Se2
8
115
218.02
mp-1227464
11.076174
12.171865
-3.343235
other
Ca1Ce3V4O16
24
115
349.85
mp-1216837
-4.705768
-1.39142
-5.753421
other
Tl2Fe1Cu3S4
10
115
201.67
mp-1216803
-7.651838
-3.923954
4.237834
other
U2Cu3Ni1Ge4
10
115
168.72
mp-1223242
-5.437867
-2.115629
5.804636
other
La2Mn3Fe1Si4
10
115
170.02
mp-1236076
10.547211
8.022927
3.059537
other
Li1Tm2Cl2O2
7
115
128.83
mp-1235682
14.576449
7.855488
-4.643876
other
Li1Nb2P2O10
15
115
212.91
mp-23996
10.595294
4.006173
-4.54626
other
Be2H16S2O16
36
120
335.64
mp-6044
13.22151
5.374111
-6.051789
other
Sr12B2P10O40
64
120
909.1
mp-1221082
-4.445009
-1.387512
-5.577266
other
Rb8Cu16Ge6S24
54
120
1,403.67
mp-1183513
10.592496
4.02362
-4.537754
other
Be2H16S2O16
36
120
344.1
mp-861268
10.490386
11.146605
3.181575
other
Li1La1Nb2O7
11
119
158.61
mp-1220157
-5.524733
-2.251322
5.854057
other
Nd1Fe1Co1Si2
5
119
77.91
mp-2219012
11.771786
9.733622
2.280721
other
Sr3Mg1Ti2O7
13
119
181.21
mp-1226968
10.611237
12.256288
-3.65403
other
Ca1Zr1V2O8
12
119
157.85
mp-1228825
-4.638105
-1.241681
-5.390895
other
Cs1Fe1Cu1S2
5
119
111.64
mp-1223063
9.950013
10.960704
3.241537
other
La2Ti3Zn1O10
16
119
203.06
mp-2240025
11.069732
9.038201
1.976773
other
Pr2Mg1Cu1O4
8
119
123.04
mp-1225377
-6.97568
-3.134836
1.680691
other
Eu2Fe1P3Pt7
13
119
225.01
mp-1225894
-4.202687
-1.434638
-5.43763
other
Cs1Li1Mn1S2
5
119
122.51
mp-755702
12.78469
12.355993
0.122744
other
Li4Ti2V2O8
16
119
145.78
mp-1219594
-5.450049
-2.171909
-3.353168
other
Rb1Tl1Fe8Se8
18
119
417.22
mp-1223172
9.851824
11.115878
3.114379
other
La2Ti3Cu1O10
16
119
197.05
mp-1215972
8.450101
10.513928
-3.314596
other
Y1Lu1Cr2O8
12
119
160.24
mp-754336
8.115961
15.081782
-0.532212
other
Li2Mn1Fe1O4
8
119
74.58
mp-2227068
10.19478
9.622077
1.754889
other
Ba2Mg1Mn1O4
8
119
135.36
mp-1221565
-5.292571
-2.640558
-4.160237
other
Mn1Tl1Cu1Se2
5
119
115.95
mp-1222995
-7.614667
-2.859108
5.411646
other
La1Mn1Cu1Ge2
5
119
94.5
mp-1226515
-5.49782
-3.163702
5.406181
other
Ce1Mn1Si2Pd1
5
119
83.35
mp-1223106
11.409355
10.605014
2.607998
other
La2Ti3V1O10
16
119
198.46
mp-2225834
12.85184
10.239048
1.922092
other
Mg1Ti1Nb1O4
7
119
74.62
mp-1219564
-4.62741
-1.289774
-5.344667
other
Rb1Co1Cu1S2
5
119
99.52
mp-1216320
-5.317503
-3.230295
5.596388
other
U1Co1Cu1Si2
5
119
75.33
mp-1226491
-5.722972
-2.786945
5.866683
other
Ce1Si2Ru1Rh1
5
119
86.45
mp-1216559
-5.486691
-1.833886
-3.297949
other
Tl1Co1Ni1Se2
5
119
103.89
mp-1225121
-5.192768
-4.583839
4.985179
other
Eu1Si2Pd1Au1
5
119
95.33
mp-1217366
-5.972632
-1.902485
3.425567
other
Ti8Nb8Ni8C4
28
119
388.04
mp-1221096
10.680892
11.227015
3.350472
other
Na1Ca2Ta3O10
16
119
228.79
mp-2225270
12.832809
10.80293
0.989971
other
Mg1Nb1V1O4
7
119
78.55
mp-1232334
7.52662
10.348823
0.731338
other
Sr3Cu2O4F4
13
119
169.73
mp-1225522
8.057964
1.786054
2.504068
other
Er3S3O1F1
8
119
148.61
mp-754213
8.549301
12.601825
0.440071
other
Li2Zr1Cu1O4
8
119
80.58
mp-754172
11.233596
9.254195
3.398709
other
La3Ti2N3O4
12
119
162.39
mp-754716
6.66529
13.401886
-1.268566
other
Li4Cu2Ni2O8
16
119
140.12
mp-2228013
10.958478
9.279305
0.239379
other
Mg1Sn1Bi1O4
7
119
115.19
mp-1225253
-7.199143
-3.521658
1.922193
other
Eu2Zn1P3Pt7
13
119
230.18
mp-2227249
10.715996
10.05222
1.459321
other
Sr2Mg1Fe1O4
8
119
118.61
mp-1235194
7.481838
10.433514
1.208301
other
Li1Eu2Co1O4
8
119
100.11
mp-1225151
10.078829
11.776838
-3.644941
other
Eu1V2Bi1O8
12
119
176.28
mp-1229125
-5.990035
-3.490812
-2.117812
other
Ag2Bi1Sb1Te4
8
119
236.4
mp-1222828
10.704878
11.186011
3.139868
other
La1Nb2Ag1O7
11
119
169.73
mp-755354
6.461818
14.843885
-1.414773
other
Li4Co2Cu2O8
16
119
142.05
mp-1219554
-3.770461
-1.535659
-5.694168
other
Rb1Li1Zn1S2
5
119
111.5
mp-867736
11.200381
13.399113
-0.726299
other
Li2V1Fe1O4
8
119
74.06
mp-1222712
10.77951
11.98109
-3.373238
other
La1V2Bi1O8
12
119
182.79
mp-755371
6.847733
17.541519
-0.617314
other
Li2Mn1Cu1O4
8
119
72.1
mp-1226266
11.128221
13.232307
-0.393231
other
Cr12Cd2Cu4O24
42
119
473.12
mp-1228019
9.280271
8.24937
-0.608665
other
Ba1Bi2I2O2
7
119
203.76
mp-1223170
10.11308
11.077415
3.091956
other
La2Ti3Ni1O10
16
119
198.97
mp-1223207
-6.130573
-3.241954
-2.342947
other
K1Zn1Cu1Te2
5
119
139.71
mp-1046815
6.814075
10.990312
-1.380123
other
Ba2Tl2Co4O12
20
119
312.85
mp-2226139
11.59295
9.937622
1.313279
other
Sr2Mg1V1O4
8
119
116.72
mp-1220158
-7.236255
-1.290631
5.587244
other
Nd1Mn1Fe1Ge2
5
119
86.35
mp-2228954
9.628299
13.465024
0.242758
other
Na4Mg1Mn4O8
17
119
214.72
mp-2226884
10.795303
10.275319
1.266829
other
Sr3Mg1Fe2O6
12
119
177.49
mp-1223091
10.093013
11.057511
3.088348
other
La2Ti3Co1O10
16
119
201.25
mp-1217476
-5.692172
-2.868436
5.797383
other
Tb1Si2Ir1Rh1
5
119
83.27
mp-1227376
-6.76874
-3.283392
1.467241
other
Ca2Al1P3Pt7
13
119
217.09
mp-1217478
-5.773367
-2.574409
5.866556
other
Tb1Si2Ru1Rh1
5
119
83.49
mp-2232915
11.555158
10.917895
0.950179
other
Sr4Mg1V3O10
18
119
242.62
mp-2239932
11.085659
9.025249
1.936664
other
Nd2Mg1Cu1O4
8
119
120.58
mp-1222743
-2.75553
-2.546186
-5.114048
other
Li2Lu1U1S4
8
119
159.63