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-28766
-3.482003
-1.182695
-5.457485
other
K4Ti2S6
12
15
319.84
mp-1246227
1.951169
1.777561
1.342587
other
Ba10Ge4N12
26
15
547.22
mp-1211743
-4.734977
-3.184041
-3.936264
other
K8Al8Se16
32
15
908.03
mp-1194713
-5.807384
-3.40804
-1.819328
other
Rb14Fe8Te16
38
15
1,436.43
mp-1540429
9.688681
8.819557
-0.084184
other
Li4Bi4O8
16
15
228.97
mp-1209767
11.387405
11.175881
-2.499059
other
Pr4W6O24
34
15
523.5
mp-29960
4.592866
2.199544
-3.024777
other
Ca2C8N12
22
15
315.14
mp-867296
13.781084
8.557746
-5.046437
other
Re4P4O20
28
15
413.74
mp-1246096
0.965711
2.54262
1.835878
other
Mg6Fe4N8
18
15
187.03
mp-556058
8.675515
11.301857
0.401633
other
Na8Ru4O12
24
15
279.5
mp-1188946
11.621902
10.885643
-0.523532
other
Re4Bi2O12
18
15
221.22
mp-1203667
7.676811
6.500744
-4.832534
other
Ce4S6O36
46
15
841.63
mp-1209453
-0.566114
1.365835
-4.546218
other
Rb6Au6Br16
28
15
931.83
mp-936855
-6.503311
-4.01022
0.799783
other
As8Pd10Pb2
20
15
377.15
mp-753857
12.272094
-0.437966
0.261054
other
Mn4O4F6
14
15
163.72
mp-2456411
1.410528
2.611501
-5.926312
other
Cs2Cu2Cl6
10
15
301.33
mp-26430
10.145896
9.189065
-6.333913
other
V4P4O20
28
15
336.28
mp-1188825
-5.240786
-3.20623
6.09743
other
Dy4Si10Rh6
20
15
324.23
mp-5372
-4.524754
-1.21678
-5.051855
other
Rb2Fe2S4
8
15
210.72
mp-554402
11.342477
11.05924
-3.945941
other
La12Mo18O72
102
15
1,619.3
mp-731849
6.825809
5.933111
-3.961826
other
Ca2B4O20
26
15
367.71
mp-29506
9.142294
8.596822
-0.310092
other
Cs2Bi2O4
8
15
195.49
mp-680240
3.708269
3.114306
-4.038418
other
Sb16Cl40F32
88
15
2,141.28
mp-23456
10.493028
10.273549
0.321315
other
Cr4Bi4O12
20
15
248.44
mp-652494
-3.033189
0.768347
-3.945575
other
Cs8Re12S26
46
15
1,184.4
mp-777348
10.584649
0.959223
1.655321
other
Li4Mn6F16
26
15
312.8
mp-1208579
2.125479
2.76627
-4.168093
other
Ta2N2Cl12
16
15
486.92
mp-16184
-4.387605
-2.45172
-3.5941
other
Rb4B4Se14
22
15
637.31
mp-1211925
8.924202
7.564897
-4.910366
other
K8P8O30
46
15
807.86
mp-1202450
2.923163
3.12317
-4.531968
other
Mo12Cl28O16
56
15
1,722.29
mp-29245
-3.38114
-3.999906
0.477367
other
Cd4P6Br2
12
15
277.93
mp-27774
6.463823
5.974812
-3.811052
other
N2Cl2O12
16
15
208.17
mp-625812
8.307757
5.047281
-3.868663
other
Sr2H8O12
22
15
207.57
mp-729962
8.070935
8.549012
-3.039503
other
K2Te2O8
12
15
196.67
mp-776575
9.622337
8.439128
3.304008
other
Ba6Tm12O24
42
15
689.7
mp-776635
10.040303
0.541702
0.375342
other
Li4Fe2F10
16
15
164.34
mp-1247283
1.232164
1.9859
1.507058
other
Ba6Co4N8
18
15
327.64
mp-627632
14.97464
5.404193
-0.050492
other
Si16H8O36
60
15
858.29
mp-776084
12.468267
6.307311
-0.229798
other
Ba6Si6O18
30
15
518.57
mp-1213938
9.08098
1.186215
-0.378207
other
Cd2Co2F10
14
15
215.98
mp-17892
1.055438
2.352747
1.752202
other
Ca8V4N12
24
15
337.96
mp-1078891
-5.709741
0.93654
2.715073
other
Sm2Ni4B4
10
15
124.19
mp-768139
-5.470953
-4.695786
-1.610016
other
Li16Sb4S2
22
15
437.8
mp-1213394
-3.641019
-1.794604
-5.374703
other
Cs8Tl8S16
32
15
1,079.59
mp-756947
7.23514
12.840942
-1.9267
other
Al4Co4O12
20
15
199.73
mp-669333
12.784747
6.24237
-0.508128
other
Ba10Si16O42
68
15
1,075.12
mp-755535
5.617978
11.057425
-1.871866
other
Zn4Fe4O12
20
15
227.48
mp-1205242
6.251364
5.02237
-4.65024
other
La8N24O72
104
15
1,461.87
mp-1247263
1.795484
1.739672
1.447127
other
Sr6Y4N8
18
15
388.19
mp-17224
12.397392
7.562645
-7.000647
other
Cu4P8O24
36
15
426.54
mp-776074
11.686616
7.306538
-0.48197
other
Ca6Ge6O18
30
15
438.54
mp-1387950
9.94181
0.692312
0.295154
other
Zn2Fe2F10
14
15
185.77
mp-1246204
2.019071
2.347387
1.18559
other
In4Pb6N8
18
15
373.47
mp-695808
9.783442
7.758172
-6.269671
other
Ni2P8O24
34
15
441.06
mp-1211892
-1.167435
2.931715
-3.024367
other
K6Au6I16
28
15
1,161.52
mp-541075
11.069596
10.80001
-3.931868
other
Rb4Mo6O20
30
15
525.33
mp-554085
8.297987
2.601438
-1.708005
other
Te6C12F48
66
15
1,029.75
mp-776782
-1.272515
1.901937
-1.558244
other
Ba24Y4I60
88
15
4,962.21
mp-1195464
7.944441
10.578617
-0.498562
other
Ag24Ru8O32
64
15
884.41
mp-26270
10.561624
8.044691
-6.96774
other
Fe2P8O24
34
15
460.66
mp-781624
11.352201
7.47255
-4.159099
other
Zn12As12O42
66
15
850.61
mp-561361
10.878789
10.931427
-3.724824
other
Hg8Mo8O28
44
15
698.01
mp-557824
-2.95912
0.821561
-3.862347
other
Rb8Re12S24
44
15
1,015.15
mp-18253
11.596892
7.660466
0.563748
other
Sr2Ga8O14
24
15
343.79
mp-561236
9.470112
7.535886
-1.806405
other
Pb26Cl12O20
58
15
1,366.61
mp-669458
-1.241381
2.847445
-2.935053
other
Cs6Bi4I18
28
15
1,362.87
mp-1176702
10.098056
0.567432
0.379359
other
Li2Fe2F8
12
15
158.22
mp-559459
-3.726863
-1.383677
-5.595695
other
Cs8In8S16
32
15
1,036.75
mp-1100379
-3.426483
-1.651944
-5.630715
other
Ca12Sn12S36
60
15
1,700.56
mp-756012
9.963698
2.573799
1.609853
other
Li2V2F8
12
15
156.19
mp-768467
9.931769
4.827186
-6.777893
other
Bi4S6O24
34
15
557.37
mp-1019593
12.76058
6.397366
-6.916379
other
Ce8P32O96
136
15
1,928.68
mp-531201
-4.301296
-4.170997
-3.875704
other
Ho20Cd10Se40
70
160
2,052.1
mp-1044687
7.168684
11.199675
-0.933356
other
Mg2Cu4O8
14
160
147.56
mp-1219383
-3.781861
-4.154967
0.793595
other
Sc3In1P4
8
160
209.18
mp-1217691
-7.06952
-4.479971
6.470323
other
Tb3Dy1Al8
12
160
241.51
mp-1220499
10.762981
11.337835
2.363468
other
Nb4Pb3O13
20
160
306.19
mp-1220773
-8.451375
-0.47069
2.341379
other
Ni43Ge3B12
58
160
572.86
mp-1220596
-4.06151
-0.060821
-3.800611
other
Nb4Ag1S8
13
160
269.68
mp-532212
12.615223
7.782529
-0.312617
other
Al20Co10O40
70
160
685.05
mp-1097021
-4.61492
-1.298784
-5.915647
other
In1Cu1S2
4
160
80.27
mp-2218979
-5.381869
-0.061466
-5.656855
other
Mg1Cr4S8
13
160
238.88
mp-1181952
3.867644
2.798602
-3.344527
other
Cd1C1N2
4
160
68.63
mp-1227344
-4.910283
-1.299665
-6.475829
other
Be3Zn1S4
8
160
127.04
mp-756142
9.979301
8.655555
3.133749
other
La2Th5O13
20
160
314.95
mp-1215486
-5.057497
-2.886881
-4.158478
other
Zn1Cd1Se2
4
160
106.93
mp-1245564
11.436405
9.429678
2.071083
other
Y1Cu1O1
3
160
56.72
mp-1044699
11.405485
9.545597
0.298038
other
Mg2Sb4O8
14
160
206.14
mp-530392
8.261222
13.38294
-1.028746
other
Zn8Fe16O32
56
160
626.19
mp-1228304
2.341127
2.208577
1.809127
other
Al5Bi1N4
10
160
140.23
mp-757205
10.094275
8.667634
3.201844
other
Y2Th5O13
20
160
302.86
mp-1228834
1.382712
2.626181
-5.819944
other
Cs1Hg1Cl3
5
160
157.48
mp-530395
13.049771
8.685461
-0.122864
other
Al16Fe8O32
56
160
560.15
mp-1227438
-5.66579
-3.693683
-2.319118
other
Bi4Te3Se3
10
160
331.75
mp-1226612
-8.720835
-0.089621
4.459215
other
Ce1Y1Co17
19
160
238.64
mp-1215872
-8.083365
-0.811383
4.375824
other
Zr3Mn1Co8
12
160
156.74
mp-1097001
9.902889
8.898676
-0.292581
other
In1Ag1O2
4
160
58.98
mp-1223642
-3.336308
-3.983438
0.654706
other
In1Ga1P2
4
160
94.46
mp-2802611
9.724671
2.576399
-4.000985
other
H3Cl1O1
5
160
68.98
mp-1048868
8.946232
14.834998
-0.402418
other
Mg2Mn4O8
14
160
157.67