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-1221536
-8.275719
-3.853617
2.118783
other
Mn4Sn2Pd6
12
164
191.43
mp-1217100
-5.438431
-2.161218
2.128723
other
Ti3Mo1As4
8
164
138.32
mp-1025305
-4.097105
-0.319645
-4.258043
other
Nb2Cu1S4
7
164
143.5
mp-1247335
0.527405
2.56138
1.973636
other
Mn2Se1N2
5
164
56.09
mp-569912
0.37114
0.800682
-2.871138
other
Ca3Si1Br2
6
164
199.77
mp-1017549
5.333749
-0.139102
-2.749166
other
Ca1B2H2
5
164
41.66
mp-1228005
-5.858224
-6.822696
2.987
other
Ba2Ga2Sn2
6
164
199.68
mp-1220073
-7.46096
-6.317353
4.575962
other
Nd2Zn2Sn2
6
164
151.73
mp-1029337
1.673484
1.731923
2.62639
other
Zr2Se1N2
5
164
76.83
mp-976876
-0.338997
0.61205
-0.172136
other
K2Pt1C2
5
164
118.77
mp-9571
-4.855036
-4.950695
0.246378
other
Ca1Zn2As2
5
164
104.44
mp-1028978
-7.204568
1.670636
-4.528949
other
Mo2W2Se8
12
164
361.92
mp-625487
10.918506
3.929415
-3.963081
other
Zn1H2O2
5
164
41.04
mp-1207029
11.418929
8.478436
2.340369
other
Np2S1O2
5
164
91.81
mp-1246256
1.028376
2.371619
1.707396
other
Li2Rh1N2
5
164
45.62
mp-1216938
9.495598
11.476027
0.145806
other
Ti1Cu3O4
8
164
91.06
mp-1017548
-3.434407
-4.094528
0.851074
other
Ca1Be2P2
5
164
80.32
mp-1077469
-5.899782
-5.901974
0.80732
other
Li3Gd1Bi2
6
164
138.15
mp-1216970
-7.628845
-3.880392
4.073915
other
Ti2Ga2Cu2
6
164
87.66
mp-20793
-4.646899
-0.963871
-5.601811
other
Ga2Fe1S4
7
164
143.88
mp-1028772
-6.504211
2.257254
-5.621442
other
W4Se4S4
12
164
338.42
mp-1219257
1.061822
1.577381
2.687959
other
Sc2Ta2N2
6
164
85.23
mp-10314
-5.095
-4.754629
0.283414
other
Yb1Zn2As2
5
164
105.57
mp-865185
-4.826134
-4.769506
0.341508
other
Mg1Be2As2
5
164
79.58
mp-505825
-0.642706
0.494133
-0.055928
other
Cs2Pt1C2
5
164
146.73
mp-13975
10.902682
7.965643
2.937255
other
Er2Se1O2
5
164
83.18
mp-985304
-4.733619
-0.91778
-5.916391
other
Cr1Ga2S4
7
164
143.34
mp-2647048
-5.678183
-2.515388
-1.362669
other
Ti2Te2C1
5
164
109.22
mp-23709
3.447514
-0.665134
-2.593643
other
Mg1Al2H8
11
164
143.29
mp-31907
10.243279
10.706516
-3.426929
other
Mn4Re8O32
44
164
809.64
mp-1030461
-8.340681
2.429144
-4.100233
other
Te4Mo4S4
12
164
374
mp-1246881
0.433779
2.647135
1.896447
other
Fe2Pb1N2
5
164
64.95
mp-1207200
-4.534048
-4.483413
6.154565
other
Nd2Al2Si4
8
164
167.19
mp-1224326
-5.548157
-3.470176
-2.083326
other
Ge3Te2Se1
6
164
153.53
mp-1227359
-5.300102
-1.19778
4.579129
other
Be8Al2Cr2
12
164
112.72
mp-1048821
8.206546
13.634796
-1.140313
other
Al4Fe12O24
40
164
448.58
mp-8994
8.642406
1.587746
1.34751
other
Rb2Nb1F6
9
164
150.8
mp-20151
-5.94239
-5.362768
5.019918
other
Eu1Al2Ge2
5
164
110.88
mp-29069
-4.770534
-1.407462
-5.756964
other
Na1Cu4S4
9
164
150.09
mp-1045059
8.662708
13.311045
-0.817349
other
Y4Fe12O24
40
164
515.24
mp-30245
12.161657
4.816363
-3.235501
other
Mg3H4O5
12
164
98
mp-1019561
11.645829
7.434283
-0.055069
other
Ca4Ge2O8
14
164
200.09
mp-9006
8.564468
2.571274
1.767408
other
Ho2C1F2
5
164
71.63
mp-1018779
-5.524826
-5.505468
0.700027
other
Li3Pr1Sb2
6
164
135.99
mp-2224448
6.962646
12.98409
-1.360456
other
Mg1Ni2O4
7
164
66.96
mp-1204269
-7.228474
-5.318079
3.193769
other
Dy7Co6Sn23
36
164
968.19
mp-554337
8.376058
0.965648
0.343065
other
Rb2Ir1F6
9
164
145.8
mp-7038
-4.864471
-2.133864
-3.228653
other
Tl2Pd4Se6
12
164
283.68
mp-1206799
3.098884
-0.586507
-2.252523
other
Ba1Ga2H2
5
164
88.36
mp-1226190
-3.899391
-0.327044
-3.892909
other
Cs1Nb2S4
7
164
179.15
mp-10436
-4.379258
-4.710568
6.20049
other
Tb1Al2Si2
5
164
100.14
mp-1078896
-4.804945
-0.976432
-5.620096
other
Mn2Ga2S5
9
164
184.55
mp-1101124
6.635925
7.153168
-2.014587
other
Ti1Cu3O4
8
164
1,170.66
mp-9564
-4.978238
-5.107812
0.366184
other
Ca1Mg2As2
5
164
116.81
mp-30247
11.686475
4.342781
-3.671184
other
Mg1H2O2
5
164
39.48
mp-1206280
-5.582795
-5.510771
0.793688
other
Li3Y1Sb2
6
164
127.82
mp-1215276
-7.285373
-4.238774
4.168866
other
Zr2Ga2Cu2
6
164
102.5
mp-1218845
-5.894738
-5.806326
3.84925
other
Sr2Eu3Ge10
15
164
381.27
mp-1541458
10.002123
10.629911
-3.344577
other
Mg1Re2O8
11
164
178.61
mp-23077
1.395952
2.400682
-5.570381
other
Cs2U1Cl6
9
164
299.21
mp-7825
8.712454
1.119906
1.025689
other
K2Ge1F6
9
164
125.4
mp-13971
10.53391
7.88509
2.855606
other
Nd2Se1O2
5
164
97.57
mp-1218027
-7.084593
0.198746
4.367647
other
Ta2Al2Fe8
12
164
152.18
mp-1216019
-5.453097
-1.90382
4.968841
other
Yb2Fe4Si9
15
164
223.54
mp-1215310
-5.796109
-1.438712
3.825145
other
Zr2Al2Mo8
12
164
211.94
mp-571302
-4.447037
-4.603755
6.12379
other
Pr3Al4Si6
13
164
275.54
mp-4805
10.234086
8.160863
2.969026
other
Gd2S1O2
5
164
85.81
mp-1217293
-8.885961
2.569619
-3.920598
original
Te2Mo2Se2
6
164
145.92
mp-5598
10.696606
7.973373
2.818784
original
Sm2S1O2
5
164
88.84
mp-1218890
-8.566285
-2.980687
2.489392
other
Sr1B4Pt6
11
164
173.66
mp-769280
10.512493
10.996293
3.316154
other
Ca5Ta4O15
24
164
316.04
mp-1245916
1.114437
2.320257
2.04539
other
Li2Cr1N2
5
164
41.71
mp-1198642
-7.419663
-4.96183
3.148415
other
Y7Co6Sn23
36
164
801.13
mp-1205774
8.741297
1.64948
1.115028
other
Cs2Re1F6
9
164
169.09
mp-1206626
-5.973748
-3.527438
-1.808887
other
Ho1Cu1Te2
4
164
106.58
mp-1226776
11.087667
8.515729
2.465666
other
Ce2U1O6
9
164
121.77
mp-1206623
8.426118
0.72355
0.213461
other
Cs2Rh1F6
9
164
165.54
mp-1219510
-5.815361
-0.394067
3.546095
other
Ru3W3C2
8
164
103.16
mp-1096867
-5.329707
-2.944295
-4.446767
other
Cd1Cu2Se2
5
164
94.85
mp-632657
1.843265
2.260163
1.980797
other
Zr2N2Cl2
6
164
126.25
mp-1215189
-3.943399
-0.436885
-4.311315
other
Zr1Ti1S4
6
164
135.75
mp-1205971
8.580798
1.132342
0.873992
other
K2Sn1F6
9
164
136.1
mp-1213283
-7.469863
-4.81549
3.106727
other
Er7Co6Sn23
36
164
787.87
mp-1097794
13.039471
9.762075
1.352096
other
Ti2H2O3
7
164
72.85
mp-1018768
-5.889658
-5.865188
0.841008
other
Li3La1Bi2
6
164
147.64
mp-1224971
-5.867999
-0.984318
-3.865491
other
Fe1Co1S2
4
164
49.42
mp-1224675
-4.672105
-1.476496
-5.77034
other
Ho2Cu6S6
14
164
261.5
mp-1220471
-6.209331
-1.138705
4.374907
other
Nb2Cr8Si2
12
164
157.25
mp-1216145
-5.532401
-1.841523
4.922223
other
Y2Fe4Si9
15
164
216.29
mp-1227870
-8.555615
-0.2667
4.480239
other
Ce4Zr2Co32
38
164
502.16
mp-30242
17.335974
9.475893
6.809356
other
Mg4H2O5
11
164
94.21
mp-1225488
-5.49704
-1.280194
4.065871
other
Er2Th2Re8
12
164
230.72
mp-2352785
-4.02498
-1.253509
-5.910933
other
Zn2In4S8
14
164
377.11
mp-12668
10.820688
7.8714
2.886696
other
Tb2S1O2
5
164
83.13
mp-1025099
-0.691887
1.071386
-1.950471
other
Tb2Ga2I2
6
164
176.83
mp-582227
-5.645313
-5.133569
0.668932
other
Eu1Mn2Sb2
5
164
135.07
mp-1227043
-3.021383
-3.485034
-4.179776
other
Ca1Sm2S3
6
164
137.23
mp-1225636
-5.512725
-1.288355
4.043063
other
Dy2Th2Re8
12
164
233.53
mp-1225689
-7.462883
-1.165815
5.533964
other
Dy2Tm2Mn8
12
164
187.48
mp-769297
10.237396
10.785224
3.49097
other
Sr5Ta4O15
24
164
321.31