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-556360
8.7341
1.465912
0.631542
other
Zr1Co1F6
8
148
125.78
mp-556093
9.399049
2.377423
0.711118
other
Cu1Mo1F6
8
148
100.97
mp-541175
-1.190833
1.353645
-1.809427
other
Sc7Co1I12
20
148
677.23
mp-4527
9.620406
12.028934
0.041872
other
Li8Sn1O6
15
148
129.97
mp-3347
12.688089
6.199043
-1.05816
other
Be12Si6O24
42
148
370.23
mp-1104522
-6.985227
1.390125
-4.141986
other
Tb1Mo6Se8
15
148
311.96
mp-1652764
6.635211
12.719496
-1.991122
other
Co4Cu3O12
19
148
190.76
mp-769802
10.410645
9.969129
3.979318
other
Ba2Zr7O16
25
148
342.17
mp-1217841
-5.286913
-3.128705
-4.126891
other
Tb2Cu6Se6
14
148
279.71
mp-755382
10.204089
9.087904
-0.244087
other
Bi2Sb2O6
10
148
166.76
mp-25300
8.20269
7.879466
-4.114582
other
Fe4P6O24
34
148
468.62
mp-1105404
8.676466
14.81644
-1.156448
other
Mn7Cd1O12
20
148
212.41
mp-754359
10.113143
9.158912
2.697147
other
Y6Te1O12
19
148
257.52
mp-1192336
10.827042
11.525227
2.488246
other
Nb6Pb3O18
27
148
376.54
mp-3789
12.348413
6.650218
-0.830187
other
Zn12Si6O24
42
148
523.07
mp-504102
5.888997
13.074158
-1.557629
other
Li2Ni4O8
14
148
128.62
mp-560198
10.409635
9.206519
-2.079285
other
Zn2Te12O26
40
148
568.68
mp-756213
-3.758022
-1.412867
-5.616062
other
Li8Bi1S6
15
148
267.53
mp-1078799
8.749548
1.695953
0.561681
other
Li1Nb1F6
8
148
103.24
mp-8425
7.281878
10.953526
-0.799021
other
Li8Tb1O6
15
148
148.96
mp-10342
10.239954
9.381027
3.095749
other
Tm6Re1O12
19
148
243.62
mp-28137
6.421216
5.897679
-3.631551
other
Co4Cl8O32
44
148
572.49
mp-1199965
-5.008316
-1.218144
-3.643019
other
Ge12Rh8S12
32
148
575.17
mp-562418
9.151002
1.732556
1.445151
other
Zr1Fe1F6
8
148
125.84
mp-1192094
8.171353
14.342514
-1.449914
other
Mn6Zn2O14
22
148
233.86
mp-1101383
10.28923
8.542612
1.444714
other
Sc2Bi2O6
10
148
141.88
mp-1387972
9.799711
0.545533
0.119332
other
Ca1Mn1F6
8
148
111.2
mp-9927
8.72457
1.357429
-0.358417
other
Mg1Rh1F6
8
148
97.04
mp-8255
8.437352
1.613399
-0.205262
other
Ca1Pt1F6
8
148
115.97
mp-1104330
-5.653128
1.12572
-4.576931
other
Er1Mo6S8
15
148
270.58
mp-1180938
8.891684
6.677602
-3.979845
other
Li12Se6O24
42
148
594.12
mp-761574
9.594213
12.628428
-0.779336
other
Co4Sn4O12
20
148
236.22
mp-754051
10.381823
1.865775
2.21613
other
Li2Fe2F6
10
148
112.61
mp-1103960
-6.926918
1.346566
-4.115602
other
Pr1Mo6Se8
15
148
319.69
mp-19331
8.033947
13.834788
-1.410014
other
Mn2Ni2O6
10
148
94.51
mp-2217299
9.922228
12.982183
-0.535903
other
Mg1Fe4O6
11
148
118.5
mp-754693
9.699274
8.65454
0.044774
other
Lu2Bi6O12
20
148
336.52
mp-8096
8.745434
1.380952
0.55287
other
Zr1Cu1F6
8
148
114.26
mp-8469
8.787743
12.380635
-0.355906
original
Li8Ir1O6
15
148
125.03
mp-766504
12.708008
7.356646
-6.261766
other
Te4P6O24
34
148
467.19
mp-3273
13.116387
6.083104
-6.521577
other
Si5P6O25
36
148
430.86
mp-562572
11.324452
8.983192
1.557948
other
Cs8U16O48
72
148
1,348.54
mp-28959
14.218795
5.939772
-0.231632
other
Si8Cl8O12
28
148
641.28
mp-9632
8.704937
1.9051
0.72348
original
Cs1Re1F6
8
148
139.74
mp-13983
8.701726
1.641176
-0.671989
other
Zn1Pd1F6
8
148
96.16
mp-1232238
-3.367047
-1.891747
-5.381172
other
Yb2Mg2S6
10
148
214.14
mp-570530
5.173749
2.46317
-3.659412
other
Cs4B24Cl24
52
148
1,270.45
mp-36508
8.537884
1.622157
0.153817
other
Sn1Hg1F6
8
148
120.79
mp-1105120
13.851817
5.105191
-6.451494
other
Sm3P3O12
18
154
268.98
mp-21386
-5.830044
-2.095057
1.342914
other
Eu3P6Ir6
15
154
274.77
mp-1020142
13.729218
4.213699
-2.330099
other
Na18B36O63
117
154
1,122.24
mp-753036
11.106862
2.854382
1.343466
other
V6O3F15
24
154
321.32
mp-11168
-5.942025
-2.03293
1.258984
other
Ca3P6Ir6
15
154
268.6
mp-1178448
6.179364
5.207253
-4.559174
other
Cr3N15O45
63
154
1,011.05
mp-686076
-6.022103
-3.413799
-2.284216
other
Ga36Te60Pb6
102
154
3,462.54
mp-3955
13.648286
5.578561
-6.889084
other
Al3P3O12
18
154
232.38
mp-15074
-5.85155
-2.047685
1.1699
other
Sr3P6Ir6
15
154
280.03
mp-31239
8.473081
14.249646
-1.336368
other
Mn12Ag16O32
60
155
747.33
mp-568693
-7.44038
-3.273095
5.636728
other
Gd2Al18Ni6
26
155
413.7
mp-1247346
4.89226
2.137188
-2.776213
other
Bi2C3N6
11
155
202.1
mp-754447
7.042616
13.254973
-1.628182
other
Cd6Co5O15
26
155
307.84
mp-1227982
8.554073
3.665561
-6.995079
other
Ba1C1O3
5
155
88.93
mp-1219674
-5.561265
-5.393566
3.389223
other
Rb8Hg3Ge43
54
155
1,314.08
mp-676561
-1.781296
0.7352
-5.14097
other
Ag3S1I1
5
155
124.87
mp-694932
4.747937
0.562671
-1.455043
other
Na2Co6O12
20
155
96.29
mp-1221460
-3.968361
-0.149235
-3.865443
other
Na4Nb6S12
22
155
431.72
mp-1220587
-5.766304
-1.723333
3.668036
other
Nb3V3Ge2
8
155
124.68
mp-1189122
1.63016
2.382007
0.058569
other
K6Yb2N12
20
155
484.78
mp-19235
5.869676
11.680429
0.386413
other
Sr6Co5O15
26
155
320.86
mp-1106114
1.570048
2.435036
0.16364
other
Rb6Nd2N12
20
155
574.16
mp-752446
6.301039
4.975317
-4.470016
other
Rb1N1O3
5
155
101.43
mp-1228259
-4.074676
-4.963876
5.66256
other
Ba8Si43Au3
54
155
1,130.84
mp-1220586
-6.326588
-1.837041
3.830808
other
Nb3V3Ir2
8
155
124.88
mp-1228873
-5.859726
-5.402064
3.48074
other
Ba8Ge43Pd3
54
155
1,315.38
mp-2217884
10.415581
12.77732
-0.568116
other
Mg1Fe4O6
11
155
121.79
mp-29762
13.501064
4.565949
-1.733659
other
Gd3B3O9
15
155
173.62
mp-1208021
9.217918
5.517476
-6.276371
other
Tl2S2O8
12
155
178.04
mp-677260
6.624454
3.88805
-2.046094
other
Na2Co6O12
20
155
105.64
mp-1221434
-3.95921
-0.18335
-3.692982
other
Na4Ta6S12
22
155
424.37
mp-27816
11.627933
6.684784
-2.730606
other
Ag3B1O3
7
155
99.19
mp-1095506
3.346202
-0.77256
-2.253818
other
Ba1Re1H9
11
155
108.91
mp-1223710
-3.949779
-0.233959
-3.664614
other
K4Ta6S12
22
155
472.49
mp-561047
7.567486
10.402155
0.719905
other
Sr24Rh20O60
104
155
1,469.06
mp-1218331
-4.038375
-5.275266
5.580734
other
Sr3Ca1Si8
12
155
276.37
mp-541426
6.271802
11.265969
0.20856
other
Ba6Ni5O15
26
155
366.93
mp-4048
7.545866
10.403899
0.73017
other
Sr6Rh5O15
26
155
352.66
mp-1226248
-6.084596
-0.88457
3.513801
other
Cr3Si2Mo3
8
155
106.71
mp-1194594
10.952453
11.771499
2.885858
other
Ta8Pb2O22
32
155
417.43
mp-1221424
-4.662769
-1.098103
-2.914187
other
Na4Ta6Se12
22
155
485.4
mp-1218117
-4.054927
-0.156761
-3.767962
other
Ta3In2S6
11
155
234.32
mp-1224669
-5.310896
-7.180235
1.784923
other
K16Tl22Pd1
39
155
1,613.69
mp-2455462
5.042099
2.149672
-3.033405
other
B2C3N6
11
155
229.25
mp-571253
-7.440732
-3.194896
5.684967
other
Er2Al18Ni6
26
155
408.86
mp-653005
9.311537
13.221525
-0.978321
other
Ca2Fe22O33
57
155
655.5
mp-1189218
1.629237
2.468395
0.164432
other
K6Y2N12
20
155
486.52
mp-1227955
6.244173
8.719962
-0.105881
other
Ba1Bi1O3
5
155
87.32
mp-1220986
6.285862
4.973874
-4.471734
other
Na1N1O3
5
155
62.1
mp-1218885
7.51651
10.137502
1.010112
other
Sr15Pd5O24
44
155
666.51
mp-675022
1.398954
2.590196
-5.803858
other
Cs1Pb1Cl3
5
155
182.95
mp-1216468
-5.958472
-0.923116
3.454775
other
V3Si2Mo3
8
155
109.26