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-1216211
4.24175
2.321279
-3.280081
other
Zn3Co2C12N12
29
115
541.45
mp-1226880
-5.40684
-2.454779
5.729175
other
Ce2Mn3Si4Pd1
10
115
168.18
mp-1223229
-8.060765
-3.014493
4.532459
other
La2Ge4Ir1Rh3
10
115
190.24
mp-1222665
-3.251182
-4.181818
0.661337
other
Li2Mg1Cd1P2
6
115
101.2
mp-1220305
-5.788336
-2.561041
5.985272
other
Nd2Si4Ru3Rh1
10
115
174.35
mp-1225773
4.22477
2.292159
-3.149609
other
Fe2Cu3C12N12
29
115
592.44
mp-1228546
7.879525
9.427193
1.411263
other
Ba2Pr1Cu3O6
12
115
199.59
mp-1234905
11.377651
9.631404
3.323353
other
Ce1Mg1Zr7O16
25
115
306.5
mp-1220524
-5.515847
-2.619522
5.894937
other
Nd2Fe1Co3Si4
10
115
156.73
mp-1221586
8.614147
13.47403
-0.984597
other
Mn1Zn3Fe8O16
28
115
317.73
mp-1225113
-5.300348
1.184018
-4.428236
other
Ga2Ge1Mo8S16
27
115
560.92
mp-1223895
-9.396635
-0.461709
4.453003
other
Ho1Sc1B8Rh8
18
115
210.6
mp-754700
11.38201
12.616838
-2.891428
other
Li4V3Fe1O10
18
115
208.66
mp-1226834
-8.303384
-4.639096
3.70014
other
Ce2Al3Ga1Pd4
10
115
191.82
mp-1215842
8.852479
13.237212
-1.062853
other
Zn1Fe8Co3O16
28
115
312.28
mp-1219198
11.348271
7.827662
3.295097
other
Sm2Fe2As2O1
7
115
128.9
mp-1216402
-9.227174
-0.47914
4.393971
other
Y2U4B24Rh24
54
115
641.03
mp-1223130
11.013964
10.823515
1.017622
other
La3Mg2W2O12
19
115
252.27
mp-1234946
14.555461
8.006939
-4.093066
other
Ca1Nb2P2O10
15
115
256.3
mp-1220300
-5.67887
-2.940453
5.971942
other
Nd2Si4Ru1Rh3
10
115
173.4
mp-1225244
-5.397404
-4.017531
5.214416
other
Eu2Si4Ir1Pd3
10
115
180.6
mp-1226582
-5.67647
-0.452973
-5.405953
other
Cr8Fe3Cu1S16
28
115
465.75
mp-1227577
-6.162123
-4.478608
0.846544
other
Ce4Ni4Bi3Sb5
16
115
387.8
mp-1221766
-5.630187
-0.345177
-5.7884
other
Mn1Cr8Cu3S16
28
115
486.82
mp-1221144
-3.867259
-6.000301
4.779929
other
Na4Sr1Ca1Si2
8
115
208.69
mp-1235439
9.591856
8.147825
-0.548314
other
Li1Bi2I2O2
7
115
179.17
mp-1226194
-4.811777
-0.986409
-5.867029
other
Cu6Sn1W1S8
16
115
304.35
mp-1219876
-5.384782
-2.46189
5.896955
other
Pr4Fe3Si4Ru1
12
115
242.5
mp-1220027
-7.32072
-1.788957
5.626054
other
Pr2Mn3Co1Ge4
10
115
179.83
mp-1217849
-4.587056
-1.149243
-5.570819
other
Ta1V1Cu6S8
16
115
331.57
mp-1226931
4.255923
2.33763
-3.308075
other
Co2Cu3C12N12
29
115
518.36
mp-1220665
-7.156968
-1.44804
5.665806
other
Nd2Mn3Fe1Ge4
10
115
175.32
mp-1220287
-5.443779
-2.131015
5.79299
other
Nd2Mn3Fe1Si4
10
115
163.6
mp-2232092
11.693334
12.314087
-3.369504
other
Mg1Nb1V3O10
15
115
250.56
mp-1224550
-4.157214
-1.332707
-5.798871
other
In10Cu1Ag1S16
28
115
651.61
mp-1215909
8.713025
2.340231
2.028495
other
Y1Bi1O2F2
6
115
86.65
mp-1223056
10.073516
10.517592
3.179245
other
La2Ti2Zn1O8
13
115
177.26
mp-1217462
-9.39672
-0.457499
4.464932
other
Th2Sc4B24Rh24
54
115
634.91
mp-1227386
4.184028
2.334605
-3.312895
other
Cd3Co2C12N12
29
115
620.95
mp-2217258
9.22704
2.927305
1.841536
other
Mg1Ti2O2F4
9
115
121.11
mp-1222318
-9.421268
-0.470966
4.462812
other
Lu1Th1B8Rh8
18
115
215.46
mp-2215981
14.511934
8.166343
-3.826314
other
Mg1Nb2P2O10
15
115
230.13
mp-1220947
-4.081793
-1.371627
-5.801098
other
Na1In10Cu1S16
28
115
662.18
mp-1219859
-5.403132
-2.597402
5.964843
other
Pr2Fe1Si2Ru1
6
115
122.02
mp-1227730
-5.907226
-2.698691
0.658829
other
Ca4Fe3As8Pt1
16
115
314.53
mp-1226330
-5.416992
-1.875025
-3.898819
other
Cr8Ga3Cu1Se16
28
115
602.41
mp-1217330
-9.359195
-0.469831
4.427633
other
Th1Sc1B8Rh8
18
115
210.41
mp-1215465
-5.414412
-2.681571
-0.941826
other
Zr2Si1Te2As1
6
115
144.72
mp-1228970
12.553217
7.679142
0.397366
other
Al32Zn12Co4O64
112
115
1,094.43
mp-1222681
-6.031283
-2.032616
1.041111
other
Li2Cr1Fe1As2
6
115
94.56
mp-1223801
-7.32388
-1.839436
5.658216
other
La2Mn3Cu1Ge4
10
115
185.78
mp-1225277
-5.334944
-4.477816
4.983184
other
Eu2Si4Pd3Au1
10
115
182.38
mp-2226848
12.153114
11.490671
-2.714915
other
Mg1V2Mo2O10
15
115
253.18
mp-1218593
11.060973
12.147887
-3.322383
other
Sr1Ce3V4O16
24
115
358.52
mp-2232241
11.896768
11.772984
-2.526216
other
Mg1Nb2V2O10
15
115
249.73
mp-1226059
-5.622594
-1.827106
-3.921383
other
Cr8Co1Cu3Se16
28
115
566.53
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