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-2232160
-4.230135
-0.39554
-4.903568
other
Mg1Ti4Cu2S8
15
44
275.12
mp-2226122
11.600183
11.31894
1.812443
other
Mg1Ti1Sn1O4
7
44
93.42
mp-2215799
10.426287
12.500235
-0.699361
other
Mg1Zn2Fe4O8
15
44
178.49
mp-1228547
10.736565
11.436731
3.370553
other
Ba4Ta10Fe1O30
45
44
626.03
mp-1194439
2.434541
2.46159
-3.613354
other
Sn4C4I12N8
28
44
873.26
mp-1217165
-4.4778
0.139233
-4.845108
other
Ti2V2Ga1S8
13
44
244.17
mp-1215977
-8.7665
-0.709485
4.027119
other
Y1Mg1Co2Ni2
6
44
84.29
mp-1227293
7.874474
9.755453
0.410184
other
Ca4Tl2C1O9
16
44
219.27
mp-2226469
9.152545
9.028106
1.731923
other
Ba2Mg1Cu1O3
7
44
149.72
mp-1224127
-7.556854
0.928635
4.824352
other
Ho1Ti1Fe11C1
14
44
175.17
mp-1226244
11.125428
13.23439
-0.393821
other
Cr12Cd2Cu4O24
42
44
472.52
mp-1218078
-6.351075
-0.809277
3.739945
other
Ta12Cr6Fe6C4
28
44
373.61
mp-1215886
-4.990136
-0.880619
-4.937524
other
Zn1Fe3Sn2S8
14
44
260.27
mp-763454
10.638712
1.153995
1.774183
other
Li4Mn8O4F12
28
44
357.17
mp-2232412
8.532855
12.395789
-0.981279
other
Mg1Fe2Ni4O8
15
44
165.55
mp-1218361
8.092165
9.57374
1.400008
other
Sr1Ca1Cu1O3
6
44
83.54
mp-756484
11.081215
12.966585
0.331683
other
Li4Ti2Fe2O8
16
44
146.19
mp-2232117
11.942683
10.915981
-1.303802
other
Na4Mg1W2O8
15
44
223.68
mp-2215853
11.821522
12.395025
0.787837
other
Mg1Ti1Fe1O4
7
44
77.96
mp-2228676
-5.056203
0.001933
-5.172725
other
Mg1V4Cu2S8
15
44
263.89
mp-1235723
8.866364
13.581039
-0.506771
other
Li1Ti1Fe1O4
7
44
73.14
mp-1217503
-7.540681
0.928738
4.823298
other
Tb1Ti1Fe11C1
14
44
177.1
mp-2227726
9.504559
14.129635
-0.211434
other
Mg1Mn4Zn2O8
15
44
175.19
mp-1217577
-7.921253
0.540549
4.2912
other
Tb1Fe6Co5W1
13
44
160.34
mp-1236333
13.653703
7.682843
-0.885645
other
Li1Al2H2O4
9
44
81.78
mp-2227401
9.665733
9.329084
1.59606
other
Ba2Mg1Cu1O3
7
44
130.48
mp-1215830
-7.629067
0.828075
4.711496
other
Y1V1Fe11H1
14
44
168.75
mp-1218085
-6.099432
-1.082327
3.602735
other
Ta12Cr6Ni6C4
28
44
373.05
mp-554206
11.823196
7.360422
-0.951664
other
Cs2Al2As2O7
13
44
255.62
mp-1215630
-5.205359
-2.724338
-4.43235
other
Zn4Cd1Se4S1
10
44
241.49
mp-755150
8.299238
14.286334
-1.253978
other
Li1Mn3Ni2O8
14
44
147.4
mp-1224924
-4.840878
0.300539
-3.881535
other
Fe1Re2Mo2S8
13
44
228.96
mp-2218358
11.330471
11.975538
-0.105222
other
Mg1Cr2Sb2O8
13
44
175.17
mp-1218112
-5.904059
-1.175917
3.504682
other
Ta12V6Ni6C4
28
44
382.56
mp-1224490
10.011387
10.071571
1.230394
other
Hf2Sb2Pb4O13
21
44
311.37
mp-2232763
9.798056
12.807652
-0.659885
other
Mg1Fe4Co2O8
15
44
167.7
mp-2242299
9.919218
9.283697
1.710343
other
Ba2Mg1Cu1O3
7
44
124.79
mp-1226388
-5.621807
-1.5963
-4.047299
other
Cr4Cd2Se6S2
14
44
310.3
mp-1217464
-7.531929
0.97971
4.830051
other
Tb1Ti1Fe11N1
14
44
177.8
mp-1216011
-7.551036
0.984209
4.856271
other
Y1Ti1Fe11N1
14
44
177.07
mp-2224277
9.736297
3.375798
1.580141
other
Mg1V1O1F2
5
44
63.09
mp-2220472
7.850414
11.119714
-0.268536
other
Mg1Ag4Ru4O12
21
44
268.06
mp-2232779
12.507611
10.737173
0.629768
other
Mg1Ti2Fe4O8
15
44
191.51
mp-2228117
12.955848
8.073381
0.226804
other
Mg1Al4Cu2O8
15
44
152.34
mp-1220101
-7.559922
0.988713
4.891263
other
Nd1Ti1Fe11N1
14
44
180.01
mp-1218080
-5.434235
-2.084764
-1.571718
other
Ta4Ga1Te6Se2
13
44
343.7
mp-1225513
-7.550757
0.918354
4.80583
other
Er1Ti1Fe11C1
14
44
176.16
mp-561395
9.53606
0.564142
0.409424
other
Na4Fe2Ni2F14
22
44
288.13
mp-1218829
9.019553
9.207059
1.576985
other
Sr2Cu1O2F2
7
44
107.83
mp-1218762
1.889598
1.951237
1.197914
other
Sr2Li7Cu1N4
14
44
196.99
mp-1236067
9.604486
12.801716
-0.739837
other
Li1Zn2Fe4O8
15
44
167.94
mp-2232510
9.576447
12.603693
-0.819439
other
Mg1Fe4Cu2O8
15
44
183.45
mp-1235225
9.419672
12.91929
-0.765408
other
Li1Zn2Fe4O8
15
44
167.01
mp-2232632
7.50215
12.373744
-1.127007
other
Mg1Zn2Ni4O8
15
44
163.15
mp-1523158
9.890365
9.682107
3.924975
other
Ba1Ca1Zr2O6
10
44
144.69
mp-2225907
11.604126
10.601932
0.394844
other
Mg1Cr1Sb1O4
7
44
87.14
mp-2223131
12.654984
10.503567
2.059925
other
Mg1Nb2O4F2
9
44
120
mp-1233230
9.991161
12.442926
-0.364048
other
Ca1Zn2Fe4O8
15
44
179.27
mp-1221612
7.370037
9.355072
-0.445436
other
Na2Eu2Ti2O9
15
44
202.96
mp-1216006
-7.969712
0.428368
4.307686
other
Y1Fe6Co5Re1
13
44
165.77
mp-1218094
-6.145359
-1.235709
3.608949
other
Ta12V6Co6C4
28
44
382.49
mp-2227625
11.450108
12.916286
1.198052
other
Mg1Ti1Mn1O4
7
44
79.56
mp-2217194
-4.359175
-1.335934
-5.303995
other
Cs2Mg1Fe2S4
9
44
255.29
mp-1217488
-3.866664
-4.617909
-1.976424
other
Te2W2N2O1
7
44
197.5
mp-1220136
-7.971847
0.411149
4.481902
other
Nd1V2Fe5Co5
13
44
168.41
mp-1105201
-3.588962
-1.988788
-4.895747
other
Ba5In4Te4S7
20
44
661.88
mp-1246951
-4.933269
-0.047127
-5.453397
other
Mg2Ga2W2S8
14
44
275.84
mp-2240483
-4.308171
-1.155935
-5.1158
other
Rb2Mg1Fe2S4
9
44
264.47
mp-2227244
2.268778
2.227142
-3.705706
other
Mg1V1Cl2O1
5
44
106.13
mp-1225213
-7.676029
-6.664541
6.63649
other
Gd16Mg2Al2Ni4
24
44
633.32
mp-2232304
9.840828
12.728233
-0.699893
other
Mg1Fe4Co2O8
15
44
168.35
mp-1215380
-9.146992
-4.425072
4.351394
other
Zr6Al7Cu16H3
32
44
433.94
mp-1235155
8.361695
11.64325
-0.786274
other
Li1Cu2Rh4O8
15
44
172.33
mp-1229030
-5.949426
-3.539222
-2.022528
other
Ag1Ge1Bi1Te3
6
44
175.46
mp-2225387
12.707186
10.64749
1.451043
other
Mg1Nb1Cr1O4
7
44
84.52
mp-1221360
9.701599
10.668729
-2.734109
other
Na2Nb2W2O13
19
44
291.3
mp-2217102
12.264581
10.911332
2.135995
other
Mg1Ta2Cu1O6
10
44
113.55
mp-1222300
-7.529649
0.907407
4.780848
other
Lu1Ti1Fe11C1
14
44
174.01
mp-1217219
9.905063
10.285348
0.992972
other
Ti2Sb2Pb4O13
21
44
294.99
mp-2232224
11.916267
10.919325
-0.987812
other
Na4Mg1W2O8
15
44
200.36
mp-1219039
-8.619708
-0.815318
4.27888
other
Sm1Y1Co2Ni2
6
44
94.7
mp-1219028
-7.539204
0.941191
4.866185
other
Sm1Ti1Fe11C1
14
44
178.48
mp-2218976
7.672626
14.116321
-1.682682
other
Mg1Mn2Co2O8
13
44
138.06
mp-1221316
10.485226
11.439603
3.307519
other
Na2Sr2Nb4O13
21
44
305.5
mp-2228651
11.985585
11.048683
-1.989816
other
Na4Mg1Mo2O8
15
44
211.73
mp-1222343
8.032065
13.615702
-0.774726
other
Li1Zn1Fe1O3
6
44
57.54
mp-1216829
-4.827289
0.277536
-4.71538
other
V12Ga1Ge2S24
39
44
686.78
mp-2223117
11.686679
10.663116
0.352833
other
Mg1Cr1Sb1O4
7
44
89.74
mp-1225814
-5.110367
-0.903713
-5.07947
other
Cu1Ni3Sn2S8
14
44
253.19
mp-2223090
9.15177
2.690083
1.739877
other
Mg1Nb1O1F3
6
44
84.07
mp-2215914
10.147696
12.594523
-0.545604
other
Mg1Zn2Fe4O8
15
44
169.91
mp-1274697
6.867953
13.622119
-1.038762
other
Li4Fe2Ni2O8
16
44
143.81
mp-1218173
-6.068446
-0.9446
3.64674
other
Ta12V6Fe6C4
28
44
383.14
mp-2228646
12.424389
8.920171
0.031761
other
Mg1Ga4Cu2O8
15
44
178.59
mp-1216860
-3.703754
-2.054385
-5.351984
other
Tl1Bi1Pb1S3
6
44
165.11
mp-2232327
12.329966
10.662655
1.472981
other
Mg1Ti2Zn4O8
15
44
176.4
mp-1219286
10.116953
9.529962
0.946613
other
Sc1Sb1Pb2O6
10
44
137.4
mp-2228271
12.569354
11.290487
1.35549
other
Mg1Mn1Nb1O4
7
44
84.24
mp-1383866
9.952168
11.473362
0.010875
other
Ca2Cu1W1O6
10
44
125.68
mp-2219599
10.670663
12.253069
-3.562633
other
Mg1V2Co2O8
13
44
148.67