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-1214171
7.315405
2.504154
-2.912599
other
C24F20
44
43
563.62
mp-30686
-6.772179
-3.568142
4.336355
other
Zr4Ga6
10
43
179.29
mp-29576
-3.424732
-4.064349
0.730068
other
Cd14P20
34
43
744.03
mp-13841
8.493059
2.070035
-0.701457
other
Ir2F8
10
43
127.18
mp-1105092
-3.48435
-4.264909
0.612703
other
Eu6P8
14
43
333.81
mp-1094937
-7.429639
-7.016489
2.402914
other
Mg1Cd3
4
44
85.13
mp-1184342
-5.582189
-7.324103
4.045085
other
Eu3Mg1
4
44
150.94
mp-1217678
-4.885993
-4.271134
6.03526
other
Tb2Si3
5
44
107.79
mp-1039426
-7.281542
-10.7934
4.939668
other
Mg3Cd1
4
44
86.45
mp-600091
15.640062
5.664134
0.377699
other
Si18O36
54
44
1,020.78
mp-1103952
-6.650176
-4.832891
6.070993
other
Nd3Al12
15
44
309.71
mp-1094172
-6.938659
-6.533619
6.352576
other
La3Mg1
4
44
136.58
mp-974981
-3.928128
-7.039098
1.775539
other
Rb3Mg1
4
44
272.17
mp-1094608
-7.245803
-10.800405
5.161951
other
Mg6Ga2
8
44
163.77
mp-1080194
0.568911
2.128007
1.943873
other
Re3N5
8
44
119.51
mp-29953
-3.484858
1.833434
2.878124
other
Na2B29
31
44
250.44
mp-603640
-4.741359
-4.865535
0.233709
other
Ga1As1
2
44
38.73
mp-1223125
-4.91913
-4.34403
6.050337
other
La2Si3
5
44
125.9
mp-1094297
-4.912133
-7.501437
3.529703
other
Sr3Mg1
4
44
186.12
mp-1103934
-6.654082
-4.876101
5.985666
other
Pr3Al12
15
44
313.64
mp-684609
3.281675
2.67171
-4.20237
other
H1Cl1
2
44
53.07
mp-1094449
-7.264362
-6.791943
6.820531
other
Y3Mg1
4
44
121.36
mp-1094591
-5.806565
-7.06704
3.446856
other
Li3Mg1
4
44
81.4
mp-30738
-8.249589
-2.268225
3.756465
other
Li1Ir3
4
44
54.67
mp-1185883
-7.470866
-7.480884
1.909584
other
Mg1Hg3
4
44
95.03
mp-1224840
-6.033022
-3.406061
-2.243312
other
Ga2Te3
5
44
170.51
mp-1094395
-7.782017
-9.760235
6.645848
other
Mg3Ti1
4
44
84.74
mp-1218710
-3.970567
-5.542668
5.404777
other
Sr2Si3
5
44
138.05
mp-554946
15.57588
5.668582
0.33415
other
Si48O96
144
44
2,803.11
mp-1039198
-6.990902
-9.445124
2.749631
other
Mg3Bi1
4
44
100.62
mp-1094513
-5.770663
-5.394064
0.459969
other
Mg1Sb3
4
44
104.55
mp-1219481
9.920974
10.043279
-0.81061
other
Sb6O13
19
44
272.89
mp-1225805
-5.505404
-3.000482
-4.581691
other
Cu2Se1
3
44
51.8
mp-1105076
-6.774279
-4.669578
5.88945
other
Ce3Al12
15
44
309.85
mp-1094430
-8.962276
-6.360084
3.41629
other
Mg1Zn3
4
44
66.5
mp-1094330
-5.276877
-3.033295
4.021075
other
Mg1Ti3
4
44
72.31
mp-1094302
-6.224853
-10.804747
5.890614
other
Sr1Mg3
4
44
120.82
mp-569851
-4.821234
-4.211629
6.160813
other
Ho10Si17
27
44
523.47
mp-1094519
-7.020998
-10.771934
4.566884
other
Mg3Sn1
4
44
94.4
mp-1225291
-4.864802
-4.299843
6.125823
other
Dy2Si3
5
44
106.7
mp-1221354
15.087327
5.757833
0.115126
other
Si48O107
155
44
3,697.18
mp-1094411
-7.878685
-9.566885
6.890915
other
Y1Mg3
4
44
103.72
mp-1223265
-6.97515
-4.683621
5.464314
other
La2Ge3
5
44
132.1
mp-1181272
6.872149
6.208249
-3.899538
other
In4O12
16
44
238.71
mp-1039033
-6.537324
-10.539896
5.990679
other
Ca1Mg3
4
44
108.36
mp-1223866
-6.102428
-3.456609
-2.072183
other
In2Te3
5
44
193.51
mp-1225258
-4.249317
-5.252146
5.381532
other
Eu3Si4
7
44
165.66
mp-1094427
-7.403999
-11.007498
5.232882
other
Mg3Zn1
4
44
81.81
mp-1104765
-6.624426
-4.939211
5.968226
other
La3Al12
15
44
319.61
mp-1185869
-5.67632
-5.433109
3.200676
other
Mg1Ge3
4
44
80.49
mp-973320
-6.672863
-6.709982
2.726745
other
Mg1In3
4
44
103.61
mp-998913
6.828061
5.920645
-3.829194
other
K1O3
4
44
78.21
mp-684597
-5.834591
-5.641654
0.757378
other
In1Sb1
2
44
56.97
mp-1228983
-8.943911
-6.090209
3.457241
other
Cs1Zn8
9
44
179.77
mp-1001787
-8.557405
-2.187367
3.538781
original
Li1Rh3
4
44
53.06
mp-1094202
-6.553604
-6.186172
2.086068
other
Mg1Sn3
4
44
104.02
mp-1220308
-5.006388
-4.330021
6.158835
other
Nd2Si3
5
44
118.15
mp-1219825
-7.753688
-1.642866
2.485311
other
Ni7Ge4
11
44
135.68
mp-29184
-5.85042
-0.833917
2.42134
other
Cr12P6
18
44
211.88
mp-1224995
-6.756008
-2.442575
1.11867
other
Fe5Sb4
9
44
149.91
mp-1094596
-7.015885
-11.048266
5.602612
other
Li1Mg3
4
44
86.61
mp-1954
3.837679
2.789271
0.655925
other
P3N5
8
44
77.07
mp-1223831
-3.7651
-1.273539
-5.836142
original
In2S3
5
44
133.95
mp-974455
-5.867038
-0.861166
3.826753
other
Re3Ru1
4
44
57.94
mp-569825
-4.783056
-4.27135
6.12726
other
Dy10Si17
27
44
530.51
mp-1077506
3.23405
2.607453
0.365002
other
B3N3
6
44
39.62
mp-1223930
-4.887274
-4.244066
6.105331
other
Ho2Si3
5
44
105.28
mp-1182172
5.867133
2.517231
-3.464691
other
C3N4
7
44
63.26
mp-1094538
-7.15678
-11.102139
4.154448
other
Mg3Sb1
4
44
93.84
mp-1226801
-5.009114
-4.433073
5.943609
other
Ce2Si3
5
44
113.12
mp-971648
-3.337517
-4.077026
0.53224
other
Ga1P1
2
44
33.59
mp-22464
6.859399
5.898106
-3.755419
other
Na1O3
4
44
55.67
mp-1039411
-5.106613
-7.363538
3.872776
other
Ca3Mg1
4
44
147.87
mp-1228488
-5.546504
-6.287405
3.682628
other
Ba2Ge3
5
44
165.57
mp-1219840
-4.983132
-4.318491
6.143674
other
Pr2Si3
5
44
120.91
mp-978279
-7.745748
-10.823384
5.363536
other
Mg3Cu1
4
44
73.89
mp-865611
-8.367602
-2.428429
3.589539
other
Mg1Rh3
4
44
56.61
mp-1038902
-6.436453
-5.965935
5.637021
other
Ce3Mg1
4
44
108.32
mp-1077743
5.616787
2.135605
-2.663068
other
B1C5
6
44
36.13
mp-1001790
6.864399
5.681011
-3.678547
other
Li1O3
4
44
42.83
mp-1185968
-7.525903
-5.644948
5.262675
other
Mg1Sc3
4
44
97.3
mp-1224809
-4.800458
-2.667088
-3.964153
other
Ga2Se3
5
44
126.55
mp-1225811
-4.78767
-1.711161
-5.785746
other
Cu2S1
3
44
45.76
mp-1094660
-6.347509
-5.627759
3.715789
other
Mg1Ga3
4
44
72.88
mp-1102044
-8.877392
-0.279015
4.876679
other
La2Co10
12
44
175.4
mp-640566
-4.391524
-5.226415
5.57954
other
Yb8Si11
19
44
419.23
mp-568793
-5.419583
-7.189235
3.890486
other
Ca28Ga11
39
44
1,199.58
mp-705522
-5.306226
-7.300069
3.553471
other
Sr28In11
39
44
1,614.62
mp-1224796
-3.962412
-1.378209
-5.827809
other
Ga2S3
5
44
109.38
mp-1094814
-7.743343
-9.232472
6.382905
other
Ce1Mg3
4
44
109.61
mp-849098
-4.545881
0.098265
-4.689646
other
V1S2
3
47
283.43
mp-1217351
-9.366169
-5.901686
4.097241
other
Th1Zn11
12
47
208.51
mp-1226724
-5.766775
-5.764652
0.631362
other
Cd1Sb1
2
47
55.12
mp-705439
6.523147
5.844303
-3.827703
other
Cu1O2
3
47
110.3
mp-1103318
-6.223393
-1.275331
3.793703
other
Mo1W11
12
47
253.5
mp-1080294
-4.328666
-4.685904
-3.412121
other
Ce1Se2
3
47
648.03
mp-990076
11.947305
7.316404
-6.076873
other
P2O5
7
47
59.86
mp-1219045
-6.633572
-6.310884
2.106833
other
Sn3Pb1
4
47
117.73
mp-1229228
-4.10164
-4.935845
5.670061
other
Ba20Si138
158
47
3,340.16
mp-1212332
-2.979836
-8.415428
1.096999
other
In1Sb2
3
47
4,324.91