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-1216539
-5.46163
-3.871913
4.701089
other
Tm1Si2Pt2
5
139
87.97
mp-11436
-7.247178
-2.428208
4.973044
other
Er1V2Ga4
7
139
111.37
mp-1103514
-3.881305
-3.979408
0.688738
other
Eu2Cu6P5
13
139
203.51
mp-1206522
-7.916601
-5.659665
4.437882
other
Yb1Zn2Ga2
5
139
95.53
mp-1219643
-0.163411
1.839206
-4.776349
other
Rb3Br2Cl1
6
139
239.21
mp-5627
-5.353388
-2.014606
5.805161
other
Pr1Fe2Si2
5
139
79.12
mp-1104848
-8.151567
-4.016952
5.286165
other
Yb1Al8Cu4
13
139
200.39
mp-1223664
3.168792
-0.536479
-2.291075
other
K2H4Pt1
7
139
127.62
mp-21006
-6.221177
-2.439863
0.774916
other
Ce1Ni2As2
5
139
81.32
mp-1200153
-5.936092
-5.850555
1.324801
other
Yb22Sn4Bi16
42
139
1,309.24
mp-1226748
10.088831
9.183965
3.489057
other
Ce2Zr1O6
9
139
115.4
mp-1245855
1.448901
1.873893
1.51222
other
Sr2Ru1N2
5
139
98.3
mp-1072345
-7.45255
-6.124279
4.656919
other
Tm2Mg2Sn2
6
139
148.12
mp-977049
-7.37677
-1.394427
3.896315
other
Hf8Co8Ge14
30
139
441.2
mp-2866
-5.370715
-1.852042
5.601841
other
Yb1Fe2Si2
5
139
75.1
mp-1103635
-7.382977
0.355589
4.961292
other
U1Al4Fe8
13
139
174.13
mp-3303
-6.910184
-4.852796
5.708838
other
Ce1Al2Ga2
5
139
97.99
mp-4860
8.774694
9.422036
2.318013
other
Gd2Cu1O4
7
139
89.36
mp-4896
-5.353235
-3.860165
4.771986
other
Sm1Si2Pt2
5
139
88.84
mp-20448
-5.534518
-2.10438
5.659501
other
Gd1Mn2Si2
5
139
77.61
mp-1245897
1.487029
1.872786
1.122486
other
Ba2Cu1N2
5
139
109.41
mp-4520
-8.052921
-4.375593
4.38823
other
Y1Cu2Ge2
5
139
83.46
mp-573498
-6.502393
-5.184869
5.39934
other
Yb1Al2Ga2
5
139
98.93
mp-3678
-5.788342
-2.439647
5.893166
other
Tb1Si2Ru2
5
139
82.96
mp-1068248
-6.114364
-1.970343
1.558436
other
Eu1Cr2As2
5
139
96.93
mp-1247376
1.535381
1.921765
1.285164
other
Sr2Pt1N2
5
139
97.03
mp-1216718
10.906478
11.483573
2.695921
other
U1Nb4O12
17
139
249.01
mp-21132
-7.779467
-2.993501
4.417005
other
U1Ge2Rh2
5
139
88.32
mp-6963
-6.197627
-4.771287
0.632815
other
Ba1Sb2Pd2
5
139
125.64
mp-1219916
-8.062708
-5.506474
5.287281
other
Pr1Zn2Ga2
5
139
95.13
mp-20837
-7.2333
-1.647412
5.750528
other
Gd1Mn2Ge2
5
139
93.77
mp-30040
-5.432885
-5.862282
0.713589
other
Ba2Cd2Sb4
8
139
264.15
mp-768368
-0.886927
2.528216
-3.078991
other
K4I2O1
7
139
243.85
mp-3299
-5.710997
-0.71745
1.753998
other
Sr1Fe2P2
5
139
81.45
mp-7422
-3.850058
-3.955042
0.668066
other
Ca1Cu2P2
5
139
77.64
mp-2906
-5.740405
-1.538211
1.026088
other
Ho1Ni2P2
5
139
68.68
mp-980193
2.865497
-0.446654
-1.828024
other
Ti2H4Pd1
7
139
57.08
mp-3826
-5.694248
-3.935764
4.814589
other
Ce1Si2Pd2
5
139
88.86
mp-19787
-7.92298
-2.414886
5.173752
other
Sr1Ge2Ru2
5
139
96.51
mp-571339
-6.091204
-2.188321
1.438856
other
Ba1Cr2As2
5
139
110.82
mp-571215
-6.349177
-4.747098
0.68919
other
Ca4Sb8Pd6
18
139
431.17
mp-1078184
-5.559991
-6.329562
1.564405
other
Eu4Bi2O1
7
139
208.69
mp-20649
-7.202832
-1.696774
5.762426
other
Y1Mn2Ge2
5
139
91.36
mp-567807
-5.560582
-3.922937
2.64687
other
Tm2Zr2Sb2
6
139
148.1
mp-16237
-4.726317
-4.49618
5.494358
other
La1Si2Ag2
5
139
98.77
mp-570843
-8.113085
-2.952416
4.505977
other
Tm1Ge2Rh2
5
139
85.48
mp-22653
-4.530403
-4.845438
5.111859
other
Eu1Si2Ag2
5
139
97.25
mp-3278
-5.624038
-4.073636
4.983827
other
Pr1Si2Pd2
5
139
89.5
mp-1077453
-7.062603
-3.518683
4.005575
other
Hf2Cu2Ge2
6
139
94.78
mp-28592
9.236779
10.7874
-1.26209
other
Li7Br3O2
12
139
172.5
mp-4475
-5.524879
-1.891424
-3.240922
other
Tl1Co2Se2
5
139
101.72
mp-21195
-6.678216
-1.880522
5.887021
other
Gd1Al8Cr4
13
139
202.11
mp-28610
1.527817
2.72657
-5.87951
other
Cs2Ag2Cl6
10
139
278.7
mp-569881
-6.210561
-3.604037
0.962539
other
Sr1Ni2Sb2
5
139
106.2
mp-1247516
1.483257
1.915866
1.131831
other
Ba2Pd1N2
5
139
115.38
mp-1205908
8.205891
0.744862
0.984754
other
K3Eu1F6
10
139
237.22
mp-1070391
2.848485
-0.435101
-1.711677
other
Ti2H2Pd1
5
139
51.22
mp-15608
-5.223154
-4.278489
0.559179
other
Ba1Mn2As2
5
139
121.63
mp-1402587
7.687108
6.592186
-3.445248
other
Se2Cl2O5
9
139
146.46
mp-21849
-5.579381
-2.876939
5.72316
other
Eu1Si2Ir2
5
139
85.85
mp-765613
7.885802
11.285685
-0.510575
other
Li4Cu12O12
28
139
289.5
mp-4305
-5.225276
-3.901765
5.417545
other
Er1Cu2Si2
5
139
76.3
mp-560449
9.050457
0.53399
0.627317
original
K3Ni2F7
12
139
168.37
mp-4810
-7.939844
-2.416818
5.264248
other
Pr1Co2Ge2
5
139
82.7
mp-1025221
8.101851
2.556427
-1.169322
other
Zn1N2F4
7
139
108.44
mp-4072
-5.776197
-2.457366
5.935175
other
Sm1Si2Ru2
5
139
84.86
mp-1218954
-3.226068
-2.085339
-5.60335
other
Sn1Pb4S5
10
139
266.44
mp-755713
11.257635
8.045402
2.814961
other
Tb2Sb1O2
5
139
98.76
mp-1205664
8.163112
0.71458
1.025428
other
Rb3Eu1F6
10
139
253.46
mp-3447
-6.963379
-1.948596
5.201415
other
Th1Cr2Ge2
5
139
92.73
mp-13400
-8.039948
-4.394732
4.405068
other
Sm1Cu2Ge2
5
139
85.35
mp-10087
-5.111002
-4.446749
5.769645
other
Ce2Sc2Si2
6
139
142.74
mp-972121
-6.653726
-1.845582
5.86561
other
Tm1Al8Cr4
13
139
199.4
mp-1104566
-8.027402
-0.236347
4.374466
other
Pr1Mn4Co8
13
139
164.08
mp-4768
-5.401597
-3.35145
5.368801
other
Eu1Si2Ni2
5
139
78.24
mp-1206757
9.11237
0.797161
0.785283
other
Tl2Co1F4
7
139
123.2
mp-1207015
-5.995872
-1.488279
1.954239
other
Cs1P2Ru2
5
139
114.93
mp-5346
-5.1711
-3.927138
5.413821
other
Lu1Cu2Si2
5
139
75.05
mp-976184
-5.759134
-2.202753
4.855455
other
Hf8Co8Si14
30
139
407.73
mp-7739
8.570347
1.200489
1.610518
other
Ba2Zn1F6
9
139
144.14
mp-8962
8.128337
0.767772
0.999111
other
Rb2Hg1F4
7
139
144.58
mp-1206890
11.667446
8.997523
2.731869
other
Pu2Te1O2
5
139
102.1
mp-10547
8.370464
9.214034
-0.470611
other
Rb4Au4O4
12
139
289.41
mp-5157
-5.867349
-1.346699
1.758347
other
Ca1P2Ru2
5
139
81.28
mp-7983
12.519366
8.106125
-0.295174
other
Mg2Si1O4
7
139
65.73
mp-3333
-7.743348
-3.19991
4.017258
other
Eu1Ni2Ge2
5
139
84.72
mp-5091
-7.073348
-0.672516
5.802604
other
Dy1Al8Fe4
13
139
188.85
mp-567240
-5.618477
-5.090765
0.779478
other
Ba1Mn2Sb2
5
139
132.83
mp-770352
6.655494
10.745548
0.425986
other
Eu2Ni1O4
7
139
88.17
mp-12137
-4.098157
-5.001491
5.627448
other
Ca1Zn2Si2
5
139
89.61
mp-1192706
-5.884565
-1.659986
4.4338
other
Ta8Co8Si14
30
139
391.97
mp-1071459
-5.36558
-3.91172
2.405017
other
Gd2Zr2Sb2
6
139
156.38
mp-1100959
7.348907
5.301325
-3.001
other
U1Nb4O12
17
139
405.83
mp-18738
10.069467
10.378383
1.488628
other
Nd4Ni3O8
15
139
199.6
mp-567408
-5.700034
-2.350379
5.709685
other
Sm1Si2Os2
5
139
85.56
mp-20646
-7.210223
-1.731765
5.74755
other
Sm1Mn2Ge2
5
139
94.69
mp-18972
10.686551
11.511054
0.814171
other
Sr2V1O4
7
139
91.59
mp-4895
-5.419613
-3.794758
0.741775
other
U2Te2As2
6
139
155.94
mp-861608
-3.822046
1.712979
3.007561
other
Pr4Ni4B16
24
139
256.66
mp-22486
-7.184306
-1.737738
5.747196
other
Tb1Mn2Ge2
5
139
91.5