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-1229171
-1.944436
0.382827
-5.307889
other
Ag6S2I1Br1
10
42
242.45
mp-1229201
7.174664
9.527591
-1.94823
other
Ag6Hg1N1O11
19
42
259.17
mp-2232150
9.766636
9.047651
-0.394776
other
Mg1Cu2Bi4O8
15
42
244.92
mp-1223611
-7.509181
0.744675
4.851264
other
La2Ga6Fe20C2
30
42
405.23
mp-1208356
10.571883
9.898348
0.814336
other
Ti4Fe1Bi6O18
29
42
397.26
mp-1218859
9.711291
11.049153
3.295816
other
Sr4Ca2Ti6O18
30
42
362.96
mp-1228034
-7.99642
-1.745032
2.869417
other
Ce2Fe2Ni16Ge8
28
42
385
mp-549308
13.412682
4.911326
-2.283712
other
Li1Ge1B1O4
7
42
73.37
mp-2223708
-3.630328
-1.540774
-5.338171
other
K3Mg1Sb1S4
9
42
305.6
mp-1197593
8.824162
7.541983
-5.075766
other
K4Ni1P6O25
36
42
610.73
mp-2217178
11.600639
10.786025
0.064332
other
Na3Mg1V1O4
9
42
138.24
mp-1181103
8.679609
7.623427
-4.955997
other
K4Ni1P6O25
36
42
546.54
mp-1228365
7.562962
9.69317
1.488432
other
Ba3La3Cu6O14
26
42
364.71
mp-2217164
11.601347
9.775779
1.220737
other
La2Mg1Mo1O6
10
42
164.81
mp-2224182
-4.423024
-1.347835
-5.718044
other
Mg1Cu2Ge1S4
8
42
165.73
mp-1217825
-3.601312
-1.709089
-5.238017
other
Ta1Tl3Se2S2
8
42
253.04
mp-1223975
10.174901
10.66445
3.287177
other
K2Nd2Ti3O10
17
42
227.79
mp-1216543
-3.744129
-1.457689
-4.972228
other
Tl3V1Se2S2
8
42
237.68
mp-1228353
7.497189
9.684477
1.439886
other
Ba3Nd3Cu6O14
26
42
358.38
mp-1235821
-6.9736
-6.19765
5.050134
other
Li1Ce10Pb6O2
19
42
541.5
mp-1223119
2.411503
2.083047
2.043597
other
La6Si2N6O4
18
42
260.45
mp-1223241
10.844519
8.591795
2.370609
other
La2C1N2O2
7
42
105
mp-1219842
2.422529
1.977612
1.879452
other
Pr6Si2N6O4
18
42
252.41
mp-1282190
11.85964
10.965079
0.577824
other
Sr4V2Mo2O12
20
42
257.82
mp-1221541
7.902022
2.977901
-1.798029
other
Mo1N3O3F3
10
42
156.17
mp-756684
11.13111
10.784886
2.921604
other
Sr2Li2Nb3O10
17
42
216.85
mp-1223624
12.884168
6.050701
-5.758064
other
K6P2O6F4
18
42
306.92
mp-1223440
-7.534565
0.033391
5.559788
other
La12Al6Fe20As2
40
42
769.85
mp-1223095
10.395372
10.199338
2.415738
other
La2Ti3Bi2O12
19
42
247.44
mp-1218464
6.143528
10.658558
0.275521
other
Sr4Tl1Fe2O9
16
42
226.87
mp-1216636
-6.072991
-3.396786
-2.346809
other
Tl2Cu2Sn1Te4
9
42
264.98
mp-2227567
-4.625509
-0.65196
-5.491189
other
Mg1Cu2W1S4
8
42
185.39
mp-1022731
10.259931
11.958241
2.406995
other
Ba1Nb2Fe2O9
14
42
208.8
mp-1224561
8.643977
7.705555
-4.198446
other
K6Zn8As6O34
54
45
960.76
mp-1223194
10.942491
8.077064
2.757488
other
La8As4S12O6
30
45
689.34
mp-1218458
8.228157
10.721201
1.195896
other
Sr2Ca6Ru4O16
28
45
367.95
mp-1228778
10.531885
10.379343
3.59824
other
Ca8Zr20Ti8O64
100
45
1,217.34
mp-1215850
8.941537
9.935115
-3.592126
other
Zr4W8Cl4O40
56
45
870.75
mp-1204030
8.342667
4.714211
-4.693534
other
Si12C16N4O38
70
45
1,243.4
mp-1191720
10.187307
9.020617
-2.191504
other
Tl4Ag4Te4O12
24
45
456.9
mp-1182993
5.089828
2.704108
-3.418834
other
Al4C28I4N4
40
45
786.17
mp-2215904
10.344544
12.463573
-0.704024
other
Mg1Zn2Fe4O8
15
44
185.01
mp-1218082
-6.173039
-1.288039
3.717098
other
Ta12Cr6Cu6C4
28
44
379.87
mp-2232209
11.044224
12.267695
-0.487522
other
Mg1Mn2Fe4O8
15
44
191.34
mp-1216114
10.346819
10.673663
3.286537
other
Y4Ti2Nb2O15
23
44
274.07
mp-2227203
11.171388
11.115565
-0.032449
other
Mg1Mn1Sb1O4
7
44
89.27
mp-2232418
7.953748
13.091064
-1.253414
other
Mg1Cd2Co4O8
15
44
173.29
mp-2232273
7.97346
13.004997
-1.22659
other
Mg1Co4Ni2O8
15
44
153.44
mp-1229034
12.202912
7.988225
-1.437309
other
Al2Co3Ge1O8
14
44
143.65
mp-1223123
9.60215
10.683539
-2.825205
other
Li2Ta2W2O13
19
44
288.3
mp-1233474
7.882494
11.076011
-0.243417
other
Ca1Ag4Ru4O12
21
44
280.78
mp-2232116
7.723708
12.978008
-1.670258
other
Mg1Be2Co4O8
15
44
144.14
mp-2224255
9.967218
12.77188
-0.703069
other
Mg1Fe4Co2O8
15
44
171.91
mp-1220118
-7.589404
0.761707
4.891363
other
Nd1Ti1Fe11H1
14
44
172.81
mp-1215590
-4.614537
0.351219
-3.912038
other
Zn1Re2Mo2S8
13
44
231.16
mp-1219025
-7.551614
1.007558
4.892514
other
Sm1Ti1Fe11N1
14
44
178.45
mp-2228065
9.510935
14.050697
-0.237651
other
Mg1Mn4Zn2O8
15
44
174.23
mp-765582
10.037857
0.826647
0.090634
other
Li4Ni8O4F12
28
44
304.67
mp-1220840
11.023292
11.47264
2.613181
other
Nb3Pb2O7F5
17
44
258.3
mp-753642
8.999156
15.239902
-0.593245
other
Li4Mn8O12F4
28
44
310.22
mp-1225575
-7.783487
0.626462
4.693106
other
Er1Ti1Fe8Co3
13
44
167.44
mp-1227130
-4.955018
-0.905365
-4.952129
other
Cd1Fe3Sn2S8
14
44
271.76
mp-2232193
9.24941
13.920102
-0.750128
other
Mg1Mn4Ni2O8
15
44
171.18
mp-1222185
-4.231935
-1.171519
-5.800187
other
Mg3Cu1Sn2S8
14
44
296.76
mp-1229121
-3.694169
-2.000986
-5.439801
other
Ag1Bi1Pb1S3
6
44
145.93
mp-1234464
12.956871
8.265896
-0.364698
other
Ca1Sc4Si4O14
23
44
250.82
mp-1221520
-6.113109
-3.292002
-2.224915
other
Mn1Zn1Cd1Te3
6
44
195.06
mp-1215361
-7.731719
-1.249996
4.075851
other
Zr1Ga6Fe1Co5
13
44
174.59
mp-1218084
-6.377793
-1.072061
3.682662
other
Ta12Cr6Co6C4
28
44
371.48
mp-1235134
-4.110179
-6.528831
1.537661
other
Cs7Li1Au5O2
15
44
565.59
mp-2232289
12.469831
11.916567
-0.255599
other
Mg1V2Zn4O8
15
44
169.6
mp-2232223
9.053961
13.333605
-0.970168
other
Mg1Fe4Cu2O8
15
44
174.08
mp-752498
10.129326
1.490933
-0.012928
other
Li2V1O1F5
9
44
125.82
mp-774883
-5.002792
-0.861514
-4.930636
other
Li1Fe3Sn2S8
14
44
260.3
mp-1225621
-7.567447
0.998157
4.856352
other
Dy1Ti1Fe11N1
14
44
176.89
mp-1215826
9.951264
9.985083
1.151449
other
Zr2Sb2Pb4O13
21
44
317.53
mp-1222420
11.855757
7.795938
-7.616995
other
Li1Fe4P4O16
25
44
275.24
mp-1216760
-5.917178
-3.729532
-2.122161
other
Tl2Bi2Te3Se1
8
44
270.43
mp-2228616
7.44945
12.314944
-1.278886
other
Mg1Cu2Ni4O8
15
44
157.02
mp-2233262
-5.30677
-0.951342
-4.286904
other
Mg1Cu2Rh4S8
15
44
264.85
mp-2226699
7.843748
11.140487
0.627055
other
Sr1Mg1Ru2O6
10
44
116.83
mp-2226454
11.381126
12.984982
1.271376
other
Mg1Ti1Mn1O4
7
44
81.2
mp-2232288
9.957713
12.513982
-0.683658
other
Mg1Fe4Ni2O8
15
44
167.67
mp-1229036
-5.900778
-3.457626
-2.225138
other
Ag1Sb1Te3Pb1
6
44
186.12
mp-643814
12.688099
5.401648
-2.477331
other
Zn4Si2H4O10
20
44
239.66
mp-1247218
-5.279545
0.853664
-5.161052
other
Mg2Mo2W2S8
14
44
263.05
mp-1225456
-7.536948
0.969702
4.81002
other
Er1Ti1Fe11N1
14
44
175.97
mp-1216693
-5.296555
-1.581323
-3.63327
other
V2Cr2Ga1Se8
13
44
281.2
mp-2242174
-4.407058
-3.225888
1.495504
other
Mg1Nb2P2S2
7
44
146.95
mp-1218599
7.83795
9.951635
1.725771
other
Sr6Pr3Cu6O17
32
44
446.18
mp-1228584
10.665833
11.502812
3.414322
other
Ba4Mg1Ta10O30
45
44
626.45
mp-2225851
12.354509
10.07043
1.539579
other
Na2Mg1Ti1O3
7
44
100.68
mp-1216024
-7.554189
1.008726
4.675684
other
Y1Fe11Mo1N1
14
44
175.74
mp-1247170
-4.241126
-0.586323
-5.155395
other
La2Mg2W2S8
14
44
322.98
mp-20810
10.883679
11.121825
-0.570461
other
Ca2Pd1W1O6
10
44
139.78
mp-765697
11.253581
12.869637
0.43193
other
Li8Ti4Fe4O16
32
44
308.53
mp-2225349
12.631227
10.906975
1.499055
other
Mg1Nb1Cr1O4
7
44
82.24
mp-1228660
10.754725
11.538364
3.372802
other
Ba4Ta10Ni1O30
45
44
625.47
mp-1229113
-6.008119
-3.581255
-2.16313
other
Ag1Bi1Te3Pb1
6
44
191.68
mp-1236221
12.986792
11.661495
-0.22734
other
Li1Al2V4O8
15
44
161.24