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-1312729
11.712088
13.007287
0.439066
other
Li6Ti2Cr4O12
24
11
223.73
mp-556177
12.962963
6.338158
-0.864409
other
Cs4Cu4Si16O38
62
11
1,035.86
mp-775333
10.302389
8.148892
-6.924728
other
Cr2Ni2P4O16
24
11
277.29
mp-1041461
14.689846
8.887364
-5.420555
other
Mg2V6P6O26
40
11
488.64
mp-1366540
12.078233
10.62443
1.609381
other
Ca4Ta2Mo2O12
20
11
255.19
mp-559336
10.564549
10.181096
-1.045959
other
Na2Nb6Te8O32
48
11
715.49
mp-1276468
12.74909
13.152246
-0.276128
other
Li4Ti2V4O12
22
11
230.33
mp-1095515
3.618387
2.770338
-3.817181
other
Cd2C2N2Cl6
12
11
410.39
mp-5997
14.068119
7.542654
-6.98208
other
K2Mn12P14O48
76
11
939.11
mp-19447
10.86572
11.420218
-2.846658
other
Cs4Na2V2O8
16
11
327.66
mp-1239259
-5.422541
-0.101085
-5.696741
other
Nb2Cr6Ag4S16
28
11
505.76
mp-1211959
8.898075
0.980187
-0.396493
other
K4Mn2O2F10
18
11
307.79
mp-775753
13.127338
7.499052
-7.260231
other
Mn4Sn4P8O32
48
11
631.55
mp-628305
-4.740145
-2.983011
-3.80957
other
K8Mn4Sn4Se16
32
118
949.23
mp-1247025
11.317677
3.944948
-7.642757
other
Li2Pr2S4O16
24
118
374.31
mp-560766
8.851233
8.861743
2.203191
other
Ba8Nd4Cu4O18
34
118
574.94
mp-1211135
11.200017
3.967982
-7.505757
other
Li2Nd2S4O16
24
118
364.25
mp-1245342
11.374903
4.040753
-7.569934
other
Li2Lu2S4O16
24
118
324.53
mp-636383
8.857906
8.83801
2.249771
other
Ba8Sm4Cu4O18
34
118
565.18
mp-1211153
11.2693
4.011641
-7.602088
other
Li2Dy2S4O16
24
118
337.55
mp-1210594
8.383582
9.465166
-3.786057
other
Na2Er2Re8O40
52
118
891.64
mp-621928
9.680453
5.089136
-7.006263
other
Li2Eu2S4O16
24
118
373.55
mp-1212317
8.375991
9.409308
-3.754703
other
Na2Eu2Re8O40
52
118
937.91
mp-1210949
11.273768
3.973484
-7.617124
other
Li2Ho2S4O16
24
118
334.95
mp-1211108
11.011371
4.065726
-7.512321
other
Li2Gd2S4O16
24
118
349.5
mp-1211171
11.296824
4.058935
-7.588782
other
Li2Er2S4O16
24
118
331.75
mp-1210998
11.329807
3.96106
-7.688836
other
Li2Tb2S4O16
24
118
342.74
mp-1210992
11.174711
3.975137
-7.547835
other
Li2Sm2S4O16
24
118
352.18
mp-1210580
8.361853
9.45392
-3.797035
other
Na2Lu2Re8O40
52
118
900.54
mp-1216847
-5.320408
-2.702164
-4.208937
other
Tl2Fe1Cu3Se4
10
115
220.17
mp-773510
9.620699
11.562812
-4.116073
other
Ti1V2Cr1O10
14
115
197.02
mp-1223497
-8.086673
-4.602602
3.236421
original
La2Ge4Pd3Pt1
10
115
201.65
mp-1220277
-5.376942
-2.637254
5.971507
other
Nd2Fe1Si2Ru1
6
115
120.64
mp-1223371
-8.386633
-4.76049
3.733871
other
La2Al3Ga1Pd4
10
115
199.94
mp-1229018
6.653447
5.722204
-3.978338
other
Ba3Ir2N12O24
41
115
728.32
mp-1220405
-5.343983
-2.146254
5.837764
other
Nd2Fe3Co1Si4
10
115
155.97
mp-1217929
-6.097814
-2.93781
-2.147295
other
Ta1Nb1Cu6Te8
16
115
437.19
mp-1226782
-5.587461
-3.740119
5.108061
other
Ce2Mn1Si4Pd3
10
115
175.32
mp-2232233
11.691245
12.30444
-3.386677
other
Mg1Nb1V3O10
15
115
238.69
mp-1220639
-7.312258
-1.114563
5.582592
other
Nd2Mn1Fe3Ge4
10
115
179.65
mp-1228066
-5.205397
-2.841279
-4.236072
other
Al1Tl2Cu3Se4
10
115
238.15
mp-1222661
-3.461323
-4.217188
0.689335
other
Li2Mg1Cd1P2
6
115
109.91
mp-1217842
-5.3689
-2.636684
-3.971763
other
Ta1V1Cu6Se8
16
115
361.81
mp-1216004
-9.478548
-0.454043
4.451908
other
Y1Th1B8Rh8
18
115
217.39
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