reference stringclasses 1
value | icsd_id listlengths 0 131 | structure dict | composition stringlengths 1 22 | comments stringclasses 1
value | bandgap type stringclasses 1
value | comp method stringclasses 1
value | space group stringclasses 221
values | bandgap value (eV) float64 0 17.9 |
|---|---|---|---|---|---|---|---|---|
Materials Project | [] | {
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[
2.894884,
5.222852,
0
... | Li3Mn3NiO8 | MP metalic material | I | PBE | C2/m | 0.0082 |
Materials Project | [] | {
"@class": "Structure",
"@module": "pymatgen.core.structure",
"charge": null,
"lattice": {
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"alpha": 91.0883721838,
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"c": 12.5647844104,
"gamma": 90.3083701866,
"matrix": [
[
12.48342,
0,
0
]... | SrAl7Tl5Si5O24 | MP metalic material | I | PBE | P1 | 0.0082 |
Materials Project | [
25629
] | {
"@class": "Structure",
"@module": "pymatgen.core.structure",
"charge": null,
"lattice": {
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"alpha": 90,
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"gamma": 90,
"matrix": [
[
5.457346,
0,
0
],
[
0,
5.457346,
... | SrPbF6 | MP metalic material | I | PBE | P4_2/mmc | 0.0083 |
Materials Project | [
646475
] | {
"@class": "Structure",
"@module": "pymatgen.core.structure",
"charge": null,
"lattice": {
"a": 8.5499392183,
"alpha": 60,
"b": 8.5499392183,
"beta": 60,
"c": 8.5499392183,
"gamma": 60,
"matrix": [
[
0,
6.04572,
6.04572
],
[
6.04572,... | Sc2Ni | MP metalic material | I | PBE | Fd-3m | 0.0084 |
Materials Project | [] | {
"@class": "Structure",
"@module": "pymatgen.core.structure",
"charge": null,
"lattice": {
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"alpha": 121.9547156304,
"b": 6.2247954994,
"beta": 121.9547156304,
"c": 6.2247954994,
"gamma": 86.646415966,
"matrix": [
[
-3.019992,
3.019992,
... | NaV2O4 | MP metalic material | I | PBE | I4_1/amd | 0.0084 |
Materials Project | [] | {
"@class": "Structure",
"@module": "pymatgen.core.structure",
"charge": null,
"lattice": {
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"alpha": 91.0097392089,
"b": 10.6718060441,
"beta": 91.7233397807,
"c": 9.9630179625,
"gamma": 88.3754393728,
"matrix": [
[
6.261273,
0.087661,
... | Li4Mn3Sn5O16 | MP metalic material | I | PBE | Cm | 0.0084 |
Materials Project | [] | {
"@class": "Structure",
"@module": "pymatgen.core.structure",
"charge": null,
"lattice": {
"a": 10.0162443695,
"alpha": 60.6583870158,
"b": 9.9432290309,
"beta": 59.9237337398,
"c": 9.8920023682,
"gamma": 59.4178792444,
"matrix": [
[
0,
7.046597,
7.1183... | Na5V2P(CO4)4 | MP metalic material | I | PBE | Fdd2 | 0.0085 |
Materials Project | [
39504
] | {
"@class": "Structure",
"@module": "pymatgen.core.structure",
"charge": null,
"lattice": {
"a": 5.8862101464,
"alpha": 90.146387354,
"b": 5.885178561,
"beta": 89.9280594039,
"c": 6.7684866195,
"gamma": 120.0001568871,
"matrix": [
[
5.886209,
0.000292,
0... | Na2MnO4 | MP metalic material | I | PBE | P6_3mc | 0.0085 |
Materials Project | [
60752
] | {
"@class": "Structure",
"@module": "pymatgen.core.structure",
"charge": null,
"lattice": {
"a": 9.8875061766,
"alpha": 113.0670900628,
"b": 9.8875061766,
"beta": 113.0670900628,
"c": 9.88750633,
"gamma": 113.0670925069,
"matrix": [
[
5.452452,
-8.248245,
... | Cd(N2Cl3)2 | MP metalic material | I | PBE | R-3c | 0.0085 |
Materials Project | [
648826,
166277,
648838,
170327,
648835,
648829,
16693
] | {
"@class": "Structure",
"@module": "pymatgen.core.structure",
"charge": null,
"lattice": {
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"alpha": 90,
"b": 5.945422,
"beta": 90,
"c": 8.585061,
"gamma": 90,
"matrix": [
[
5.794418,
0,
0
],
[
0,
5.945422,
... | PdSe2 | MP metalic material | I | PBE | Pbca | 0.0085 |
Materials Project | [] | {
"@class": "Structure",
"@module": "pymatgen.core.structure",
"charge": null,
"lattice": {
"a": 5.9210468396,
"alpha": 88.3220172195,
"b": 5.9210468396,
"beta": 88.3220172195,
"c": 9.6589024067,
"gamma": 58.765013108,
"matrix": [
[
2.905089,
5.159385,
0... | Li4Mn3Ni3(SnO8)2 | MP metalic material | I | PBE | Cm | 0.0086 |
Materials Project | [
51317
] | {
"@class": "Structure",
"@module": "pymatgen.core.structure",
"charge": null,
"lattice": {
"a": 4.9487053047,
"alpha": 105.1459647235,
"b": 8.1130434922,
"beta": 107.4846676049,
"c": 8.0925381517,
"gamma": 107.7346197237,
"matrix": [
[
0.002632,
0.007448,
... | Co3BPO7 | MP metalic material | I | PBE | Cm | 0.0086 |
Materials Project | [] | {
"@class": "Structure",
"@module": "pymatgen.core.structure",
"charge": null,
"lattice": {
"a": 3.3085147164,
"alpha": 90,
"b": 3.3085147164,
"beta": 90,
"c": 37.623623,
"gamma": 120.0000143256,
"matrix": [
[
1.6542569999999999,
-2.865258,
0
],
... | Te2Mo3W(SeS2)2 | MP metalic material | I | PBE | P3m1 | 0.0086 |
Materials Project | [] | {
"@class": "Structure",
"@module": "pymatgen.core.structure",
"charge": null,
"lattice": {
"a": 9.662522,
"alpha": 90,
"b": 10.02794,
"beta": 90,
"c": 11.488282,
"gamma": 90,
"matrix": [
[
9.662522,
0,
0
],
[
0,
10.02794,
... | Ti17(NO4)6 | MP metalic material | I | PBE | Pmmn | 0.0086 |
Materials Project | [
417884
] | {
"@class": "Structure",
"@module": "pymatgen.core.structure",
"charge": null,
"lattice": {
"a": 10.943869021,
"alpha": 90,
"b": 10.943869021,
"beta": 90,
"c": 11.254978,
"gamma": 107.4621646044,
"matrix": [
[
6.474129,
-8.823487,
0
],
[
... | Na15SnGe8P | MP metalic material | I | PBE | Cmcm | 0.0086 |
Materials Project | [
606648
] | {
"@class": "Structure",
"@module": "pymatgen.core.structure",
"charge": null,
"lattice": {
"a": 9.7333958258,
"alpha": 90,
"b": 9.7333958258,
"beta": 90,
"c": 6.172564,
"gamma": 119.9999988163,
"matrix": [
[
4.8666979999999995,
-8.429368,
0
],
... | Sm3AlCoS7 | MP metalic material | I | PBE | P6_3 | 0.0087 |
Materials Project | [] | {
"@class": "Structure",
"@module": "pymatgen.core.structure",
"charge": null,
"lattice": {
"a": 6.0952418287,
"alpha": 89.4462214526,
"b": 6.0952418287,
"beta": 89.4462214526,
"c": 9.865862818,
"gamma": 60.3838120091,
"matrix": [
[
3.065284,
5.268397,
0... | Li4Mn5Sn3O16 | MP metalic material | I | PBE | Cm | 0.0087 |
Materials Project | [
422060
] | {
"@class": "Structure",
"@module": "pymatgen.core.structure",
"charge": null,
"lattice": {
"a": 8.003808,
"alpha": 97.3453064715,
"b": 8.03230871,
"beta": 98.4830790199,
"c": 8.0665984551,
"gamma": 97.9195307846,
"matrix": [
[
8.003808,
0,
0
],
... | Cs2In(IO3)6 | MP metalic material | I | PBE | P-1 | 0.0088 |
Materials Project | [
245760,
58451,
55002
] | {
"@class": "Structure",
"@module": "pymatgen.core.structure",
"charge": null,
"lattice": {
"a": 4.7404438611,
"alpha": 60,
"b": 4.7404438611,
"beta": 60,
"c": 4.7404438611,
"gamma": 60,
"matrix": [
[
0,
3.352,
3.352
],
[
3.352,
... | ErSnAu | MP metalic material | I | PBE | F-43m | 0.0089 |
Materials Project | [
81571
] | {
"@class": "Structure",
"@module": "pymatgen.core.structure",
"charge": null,
"lattice": {
"a": 3.980349,
"alpha": 66.5795385565,
"b": 8.704829,
"beta": 90,
"c": 10.5746210786,
"gamma": 90,
"matrix": [
[
3.980349,
0,
0
],
[
0,
... | TiTlCuTe3 | MP metalic material | I | PBE | P2_1/m | 0.0089 |
Materials Project | [] | {
"@class": "Structure",
"@module": "pymatgen.core.structure",
"charge": null,
"lattice": {
"a": 4.883,
"alpha": 94.922611705,
"b": 4.897052631,
"beta": 94.6160524571,
"c": 9.9115304434,
"gamma": 119.8634353312,
"matrix": [
[
4.883,
0,
0
],
[... | Li4Co5O12 | MP metalic material | I | PBE | P1 | 0.0089 |
Materials Project | [
4206
] | {
"@class": "Structure",
"@module": "pymatgen.core.structure",
"charge": null,
"lattice": {
"a": 7.9532726169,
"alpha": 60,
"b": 7.9532726169,
"beta": 60,
"c": 7.9532726169,
"gamma": 60,
"matrix": [
[
0,
5.623813,
5.623813
],
[
5.6238... | CsU2O6 | MP metalic material | I | PBE | Fd-3m | 0.0089 |
Materials Project | [
22368,
21018
] | {
"@class": "Structure",
"@module": "pymatgen.core.structure",
"charge": null,
"lattice": {
"a": 8.3687103056,
"alpha": 62.1365065128,
"b": 8.3693052353,
"beta": 89.998390677,
"c": 8.954387911,
"gamma": 59.9984355348,
"matrix": [
[
7.41066,
0.000258,
-3.... | Fe2(SO4)3 | MP metalic material | I | PBE | R-3 | 0.009 |
Materials Project | [] | {
"@class": "Structure",
"@module": "pymatgen.core.structure",
"charge": null,
"lattice": {
"a": 5.9107,
"alpha": 88.7291088835,
"b": 5.9487232766,
"beta": 87.9776463595,
"c": 14.6225491338,
"gamma": 61.994299226,
"matrix": [
[
5.9107,
0,
0
],
... | Ga2O3 | MP metalic material | I | PBE | P1 | 0.0091 |
Materials Project | [] | {
"@class": "Structure",
"@module": "pymatgen.core.structure",
"charge": null,
"lattice": {
"a": 5.3541595213,
"alpha": 60.251745847,
"b": 5.3541595213,
"beta": 60.251745847,
"c": 5.3507782025,
"gamma": 90.0059475606,
"matrix": [
[
3.786159,
3.7857659999999997,
... | CeNdAl2O6 | MP metalic material | I | PBE | Cm | 0.0092 |
Materials Project | [] | {
"@class": "Structure",
"@module": "pymatgen.core.structure",
"charge": null,
"lattice": {
"a": 6.2124190332,
"alpha": 90,
"b": 6.2124190332,
"beta": 90,
"c": 8.059885,
"gamma": 120.0000110034,
"matrix": [
[
3.1062089999999998,
-5.380113,
0
],
... | Na3Nb6O11 | MP metalic material | I | PBE | P-3m1 | 0.0093 |
Materials Project | [] | {
"@class": "Structure",
"@module": "pymatgen.core.structure",
"charge": null,
"lattice": {
"a": 8.979187,
"alpha": 71.1363192165,
"b": 8.517033,
"beta": 90,
"c": 9.5232014178,
"gamma": 90,
"matrix": [
[
8.979187,
0,
0
],
[
0,
... | Mo2P4O15 | MP metalic material | I | PBE | P2_1 | 0.0096 |
Materials Project | [] | {
"@class": "Structure",
"@module": "pymatgen.core.structure",
"charge": null,
"lattice": {
"a": 8.3176439969,
"alpha": 90,
"b": 8.3176439969,
"beta": 90,
"c": 3.142825,
"gamma": 119.999999975,
"matrix": [
[
4.158822,
-7.203291,
0
],
[
... | Ga3NO3 | MP metalic material | I | PBE | P6_3/m | 0.0096 |
Materials Project | [
73947
] | {
"@class": "Structure",
"@module": "pymatgen.core.structure",
"charge": null,
"lattice": {
"a": 6.616543,
"alpha": 90,
"b": 7.566524,
"beta": 90,
"c": 11.585515,
"gamma": 90,
"matrix": [
[
6.616543,
0,
0
],
[
0,
7.566524,
... | Sr2CrClO4 | MP metalic material | I | PBE | Pbcm | 0.0097 |
Materials Project | [
9304
] | {
"@class": "Structure",
"@module": "pymatgen.core.structure",
"charge": null,
"lattice": {
"a": 5.712159,
"alpha": 90,
"b": 8.478486,
"beta": 90,
"c": 17.147242,
"gamma": 90,
"matrix": [
[
5.712159,
0,
0
],
[
0,
8.478486,
... | RuXeF11 | MP metalic material | I | PBE | Pnma | 0.0097 |
Materials Project | [] | {
"@class": "Structure",
"@module": "pymatgen.core.structure",
"charge": null,
"lattice": {
"a": 8.6945357953,
"alpha": 59.6068306603,
"b": 8.6945357953,
"beta": 59.6068306603,
"c": 8.6945361624,
"gamma": 59.6068363861,
"matrix": [
[
7.54456,
-4.321408,
... | Li2Ti3Ni(PO4)6 | MP metalic material | I | PBE | R3 | 0.0097 |
Materials Project | [
99757
] | {
"@class": "Structure",
"@module": "pymatgen.core.structure",
"charge": null,
"lattice": {
"a": 9.1938045356,
"alpha": 55.7694739172,
"b": 9.1938045356,
"beta": 55.7694739172,
"c": 9.193804849,
"gamma": 55.7694791377,
"matrix": [
[
8.126314,
-4.299891,
... | SrFeSn(PO4)3 | MP metalic material | I | PBE | R-3 | 0.0097 |
Materials Project | [
409878
] | {
"@class": "Structure",
"@module": "pymatgen.core.structure",
"charge": null,
"lattice": {
"a": 7.145418,
"alpha": 94.669192982,
"b": 7.5014827749,
"beta": 106.3984886449,
"c": 10.8489294006,
"gamma": 109.7504671218,
"matrix": [
[
7.145418,
0,
0
]... | BiI3O11 | MP metalic material | I | PBE | P-1 | 0.0097 |
Materials Project | [
156274,
620905,
418242
] | {
"@class": "Structure",
"@module": "pymatgen.core.structure",
"charge": null,
"lattice": {
"a": 10.2084002321,
"alpha": 90,
"b": 10.2084002321,
"beta": 90,
"c": 5.781748,
"gamma": 120.0000015042,
"matrix": [
[
5.1042,
-8.840734,
0
],
[
... | Ce3CuSiS7 | MP metalic material | I | PBE | P6_3 | 0.0097 |
Materials Project | [
28743
] | {
"@class": "Structure",
"@module": "pymatgen.core.structure",
"charge": null,
"lattice": {
"a": 7.3326125608,
"alpha": 132.0876088368,
"b": 7.3326125608,
"beta": 132.0876088368,
"c": 7.3326125608,
"gamma": 70.0906934063,
"matrix": [
[
-2.97732,
2.97732,
... | TlCuSe2 | MP metalic material | I | PBE | I-42d | 0.0098 |
Materials Project | [
78016
] | {
"@class": "Structure",
"@module": "pymatgen.core.structure",
"charge": null,
"lattice": {
"a": 7.2136495682,
"alpha": 88.2686591646,
"b": 7.213646404,
"beta": 88.2685975036,
"c": 7.2136480683,
"gamma": 88.2683651305,
"matrix": [
[
7.209652,
-0.020621,
... | Ba6(NiO3)5 | MP metalic material | I | PBE | R32 | 0.0098 |
Materials Project | [] | {
"@class": "Structure",
"@module": "pymatgen.core.structure",
"charge": null,
"lattice": {
"a": 4.9143543561,
"alpha": 90.0001971754,
"b": 9.2509094595,
"beta": 89.9998052832,
"c": 6.325117,
"gamma": 98.3189341876,
"matrix": [
[
2.771665,
4.058171,
0.00... | LiMnSiO4 | MP metalic material | I | PBE | Cmcm | 0.0099 |
Materials Project | [] | {
"@class": "Structure",
"@module": "pymatgen.core.structure",
"charge": null,
"lattice": {
"a": 4.205594,
"alpha": 90,
"b": 4.314718,
"beta": 90,
"c": 8.135364,
"gamma": 90,
"matrix": [
[
4.205594,
0,
0
],
[
0,
4.314718,
... | BeO2 | MP metalic material | I | PBE | P2_12_12_1 | 0.0099 |
Materials Project | [] | {
"@class": "Structure",
"@module": "pymatgen.core.structure",
"charge": null,
"lattice": {
"a": 3.871704,
"alpha": 90,
"b": 10.390655,
"beta": 90,
"c": 14.366611,
"gamma": 90,
"matrix": [
[
3.871704,
0,
0
],
[
0,
10.390655,
... | Li2Cu4S3 | MP metalic material | I | PBE | Pnma | 0.01 |
Materials Project | [] | {
"@class": "Structure",
"@module": "pymatgen.core.structure",
"charge": null,
"lattice": {
"a": 9.213172,
"alpha": 89.9463026516,
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"beta": 90,
"c": 9.2734130726,
"gamma": 90,
"matrix": [
[
9.213172,
0,
0
],
[
0,
... | Na4Al3Ge3NO15 | MP metalic material | I | PBE | P2 | 0.01 |
Materials Project | [] | {
"@class": "Structure",
"@module": "pymatgen.core.structure",
"charge": null,
"lattice": {
"a": 7.5160532892,
"alpha": 85.336953132,
"b": 4.9056257268,
"beta": 80.8102747511,
"c": 10.0387250535,
"gamma": 71.0358231875,
"matrix": [
[
7.516043,
-0.012230999999999... | Li4FeCo9O20 | MP metalic material | I | PBE | P1 | 0.01 |
Materials Project | [
24539
] | {
"@class": "Structure",
"@module": "pymatgen.core.structure",
"charge": null,
"lattice": {
"a": 10.962195,
"alpha": 90,
"b": 10.962195,
"beta": 90,
"c": 10.962195,
"gamma": 90,
"matrix": [
[
10.962195,
0,
0
],
[
0,
10.962195,... | Rb5CeNi2(NO2)12 | MP metalic material | I | PBE | Pn-3 | 0.0101 |
Materials Project | [
38231,
17004
] | {
"@class": "Structure",
"@module": "pymatgen.core.structure",
"charge": null,
"lattice": {
"a": 6.0640163398,
"alpha": 56.7350256448,
"b": 6.0640163398,
"beta": 56.7350256448,
"c": 6.7560726448,
"gamma": 47.5929930164,
"matrix": [
[
2.4467659999999998,
5.54848,... | Co(ClO3)2 | MP metalic material | I | PBE | C2/m | 0.0101 |
Materials Project | [
16367
] | {
"@class": "Structure",
"@module": "pymatgen.core.structure",
"charge": null,
"lattice": {
"a": 5.9411053742,
"alpha": 90,
"b": 5.9411053742,
"beta": 90,
"c": 14.87244,
"gamma": 119.9999930315,
"matrix": [
[
2.9705529999999998,
-5.145148,
0
],
... | Ba3YIr2O9 | MP metalic material | I | PBE | P6_3mc | 0.0101 |
Materials Project | [] | {
"@class": "Structure",
"@module": "pymatgen.core.structure",
"charge": null,
"lattice": {
"a": 15.103413,
"alpha": 65.4015903087,
"b": 5.998043,
"beta": 90,
"c": 6.0296949037,
"gamma": 90,
"matrix": [
[
15.103413,
0,
0
],
[
0,
... | Rb8C4O7 | MP metalic material | I | PBE | Pm | 0.0101 |
Materials Project | [] | {
"@class": "Structure",
"@module": "pymatgen.core.structure",
"charge": null,
"lattice": {
"a": 11.878883759,
"alpha": 82.1749609138,
"b": 11.878883759,
"beta": 82.1749609138,
"c": 5.2593217191,
"gamma": 61.9105009858,
"matrix": [
[
6.110123,
10.186966,
... | Li21Mo11O32 | MP metalic material | I | PBE | C2/m | 0.0101 |
Materials Project | [
414127,
414128
] | {
"@class": "Structure",
"@module": "pymatgen.core.structure",
"charge": null,
"lattice": {
"a": 7.8990255038,
"alpha": 76.0621389619,
"b": 7.8990255038,
"beta": 76.0621389619,
"c": 10.6417530721,
"gamma": 43.3888511217,
"matrix": [
[
2.919925,
7.339526,
... | Na7(CoO3)2 | MP metalic material | I | PBE | C2/c | 0.0102 |
Materials Project | [] | {
"@class": "Structure",
"@module": "pymatgen.core.structure",
"charge": null,
"lattice": {
"a": 10.3253991868,
"alpha": 109.4712206345,
"b": 10.3253991868,
"beta": 109.4712206345,
"c": 10.3253991868,
"gamma": 109.4712206345,
"matrix": [
[
-5.961372,
5.961372,
... | Li3Ti2(PO4)3 | MP metalic material | I | PBE | Ia-3d | 0.0102 |
Materials Project | [
426281
] | {
"@class": "Structure",
"@module": "pymatgen.core.structure",
"charge": null,
"lattice": {
"a": 4.4838569999999995,
"alpha": 90,
"b": 7.928495,
"beta": 90,
"c": 9.433567,
"gamma": 90,
"matrix": [
[
4.4838569999999995,
0,
0
],
[
0,
... | CeTeCl | MP metalic material | I | PBE | Pnma | 0.0103 |
Materials Project | [
185567
] | {
"@class": "Structure",
"@module": "pymatgen.core.structure",
"charge": null,
"lattice": {
"a": 3.3656043784,
"alpha": 90,
"b": 3.3656043784,
"beta": 90,
"c": 3.063359,
"gamma": 120.0000074381,
"matrix": [
[
1.682802,
-2.914699,
0
],
[
... | YN | MP metalic material | I | PBE | P-6m2 | 0.0103 |
Materials Project | [] | {
"@class": "Structure",
"@module": "pymatgen.core.structure",
"charge": null,
"lattice": {
"a": 8.6446443902,
"alpha": 59.9999963344,
"b": 8.7665987859,
"beta": 59.5322111603,
"c": 8.7665988273,
"gamma": 59.5322150421,
"matrix": [
[
8.643962,
-0.088738,
... | V3Fe2Te(PO4)6 | MP metalic material | I | PBE | R3 | 0.0103 |
Materials Project | [
16360
] | {
"@class": "Structure",
"@module": "pymatgen.core.structure",
"charge": null,
"lattice": {
"a": 4.8019300000000005,
"alpha": 90.0000042377,
"b": 4.8019275839,
"beta": 90.0000204073,
"c": 20.28063,
"gamma": 59.9999457147,
"matrix": [
[
4.8019300000000005,
0.0000... | Ba2Mn2Sb2O | MP metalic material | I | PBE | P6_3/mmc | 0.0103 |
Materials Project | [] | {
"@class": "Structure",
"@module": "pymatgen.core.structure",
"charge": null,
"lattice": {
"a": 8.1434526873,
"alpha": 64.2818107785,
"b": 8.1434526873,
"beta": 64.2818107785,
"c": 7.5098262987,
"gamma": 30.2373403526,
"matrix": [
[
2.123968,
7.861589,
... | Cd2GaAgSe4 | MP metalic material | I | PBE | Cm | 0.0104 |
Materials Project | [
48106
] | {
"@class": "Structure",
"@module": "pymatgen.core.structure",
"charge": null,
"lattice": {
"a": 8.570746,
"alpha": 97.7895349893,
"b": 9.6327983884,
"beta": 108.4343961718,
"c": 9.973435612,
"gamma": 113.6576742117,
"matrix": [
[
8.570746,
0,
0
],... | Li2SeO4 | MP metalic material | I | PBE | P1 | 0.0105 |
Materials Project | [
174355
] | {
"@class": "Structure",
"@module": "pymatgen.core.structure",
"charge": null,
"lattice": {
"a": 4.401668,
"alpha": 90,
"b": 7.187334,
"beta": 90,
"c": 16.732076,
"gamma": 90,
"matrix": [
[
4.401668,
0,
0
],
[
0,
7.187334,
... | LiYb2InGe2 | MP metalic material | I | PBE | Pnma | 0.0105 |
Materials Project | [
50489
] | {
"@class": "Structure",
"@module": "pymatgen.core.structure",
"charge": null,
"lattice": {
"a": 6.1194746184,
"alpha": 60,
"b": 6.1194746184,
"beta": 60,
"c": 6.1194746184,
"gamma": 60,
"matrix": [
[
0,
4.327122,
4.327122
],
[
4.3271... | K3ReH6 | MP metalic material | I | PBE | Fm-3m | 0.0105 |
Materials Project | [] | {
"@class": "Structure",
"@module": "pymatgen.core.structure",
"charge": null,
"lattice": {
"a": 9.4903844786,
"alpha": 54.8893540843,
"b": 9.4903844786,
"beta": 54.8893540843,
"c": 9.4903850067,
"gamma": 54.8893593934,
"matrix": [
[
8.422301,
-4.374042,
... | Bi2(PO4)3 | MP metalic material | I | PBE | R-3 | 0.0106 |
Materials Project | [] | {
"@class": "Structure",
"@module": "pymatgen.core.structure",
"charge": null,
"lattice": {
"a": 2.929704,
"alpha": 70.4209045209,
"b": 5.135691,
"beta": 90,
"c": 5.1632842274,
"gamma": 90,
"matrix": [
[
2.929704,
0,
0
],
[
0,
... | Li2CrCoO4 | MP metalic material | I | PBE | P2/m | 0.0107 |
Materials Project | [] | {
"@class": "Structure",
"@module": "pymatgen.core.structure",
"charge": null,
"lattice": {
"a": 10.9073592654,
"alpha": 90,
"b": 10.9073592654,
"beta": 90,
"c": 11.848258,
"gamma": 119.9999955443,
"matrix": [
[
5.45368,
-9.44605,
0
],
[
... | LiFe2(SiO4)2 | MP metalic material | I | PBE | P6_422 | 0.0107 |
Materials Project | [] | {
"@class": "Structure",
"@module": "pymatgen.core.structure",
"charge": null,
"lattice": {
"a": 6.343897,
"alpha": 90,
"b": 7.681067,
"beta": 90,
"c": 14.045716,
"gamma": 90,
"matrix": [
[
6.343897,
0,
0
],
[
0,
7.681067,
... | LiFe2P2O9 | MP metalic material | I | PBE | Pnma | 0.0107 |
Materials Project | [
404356
] | {
"@class": "Structure",
"@module": "pymatgen.core.structure",
"charge": null,
"lattice": {
"a": 10.211379,
"alpha": 89.7879037579,
"b": 5.533579,
"beta": 90,
"c": 16.3375929382,
"gamma": 90,
"matrix": [
[
10.211379,
0,
0
],
[
0,
... | Ag6Ge2O7 | MP metalic material | I | PBE | P2_1 | 0.0108 |
Materials Project | [] | {
"@class": "Structure",
"@module": "pymatgen.core.structure",
"charge": null,
"lattice": {
"a": 11.648078307,
"alpha": 14.903849607,
"b": 11.648078307,
"beta": 14.903849607,
"c": 11.6480778052,
"gamma": 14.903851297,
"matrix": [
[
11.549699,
-1.510689,
... | TiCu2NiO4 | MP metalic material | I | PBE | R-3m | 0.0108 |
Materials Project | [
31575
] | {
"@class": "Structure",
"@module": "pymatgen.core.structure",
"charge": null,
"lattice": {
"a": 7.6247242764,
"alpha": 90,
"b": 7.6247242764,
"beta": 90,
"c": 4.236578,
"gamma": 120.0000023983,
"matrix": [
[
3.812362,
-6.603205,
0
],
[
... | CeCl3 | MP metalic material | I | PBE | P6_3/m | 0.0109 |
Materials Project | [
56703,
246326,
629827
] | {
"@class": "Structure",
"@module": "pymatgen.core.structure",
"charge": null,
"lattice": {
"a": 6.3251194787,
"alpha": 90,
"b": 6.3251194787,
"beta": 90,
"c": 6.595922,
"gamma": 119.9999945469,
"matrix": [
[
3.16256,
-5.477714,
0
],
[
... | DyH3 | MP metalic material | I | PBE | P-3c1 | 0.0109 |
Materials Project | [] | {
"@class": "Structure",
"@module": "pymatgen.core.structure",
"charge": null,
"lattice": {
"a": 15.6325442323,
"alpha": 148.275027846,
"b": 15.6325442323,
"beta": 148.275027846,
"c": 15.6325442323,
"gamma": 45.4795327549,
"matrix": [
[
-4.272835,
4.272835,
... | LiCr4O12 | MP metalic material | I | PBE | I4_1/acd | 0.0109 |
Materials Project | [
62414,
48014
] | {
"@class": "Structure",
"@module": "pymatgen.core.structure",
"charge": null,
"lattice": {
"a": 5.4040628604,
"alpha": 64.2864850456,
"b": 5.4040628604,
"beta": 64.2864850456,
"c": 8.236974967,
"gamma": 68.2082108253,
"matrix": [
[
3.030049,
4.474673,
0... | NaCu2(SO5)2 | MP metalic material | I | PBE | C2/m | 0.0109 |
Materials Project | [] | {
"@class": "Structure",
"@module": "pymatgen.core.structure",
"charge": null,
"lattice": {
"a": 7.661875,
"alpha": 90,
"b": 12.458271,
"beta": 90,
"c": 12.610961,
"gamma": 90,
"matrix": [
[
7.661875,
0,
0
],
[
0,
12.458271,
... | BH5C4(N2O)2 | MP metalic material | I | PBE | Pnn2 | 0.0109 |
Materials Project | [
280690
] | {
"@class": "Structure",
"@module": "pymatgen.core.structure",
"charge": null,
"lattice": {
"a": 4.458449,
"alpha": 90,
"b": 7.278257,
"beta": 90,
"c": 16.960512,
"gamma": 90,
"matrix": [
[
4.458449,
0,
0
],
[
0,
7.278257,
... | LiCa2InGe2 | MP metalic material | I | PBE | Pnma | 0.0109 |
Materials Project | [
621737
] | {
"@class": "Structure",
"@module": "pymatgen.core.structure",
"charge": null,
"lattice": {
"a": 8.142493822,
"alpha": 109.4712206345,
"b": 8.142493822,
"beta": 109.4712206345,
"c": 8.142493822,
"gamma": 109.4712206345,
"matrix": [
[
-4.701071,
4.701071,
... | Ce(Sb3Os)4 | MP metalic material | I | PBE | Im-3 | 0.0109 |
Materials Project | [
56983
] | {
"@class": "Structure",
"@module": "pymatgen.core.structure",
"charge": null,
"lattice": {
"a": 4.5748775088,
"alpha": 90,
"b": 4.5748775088,
"beta": 90,
"c": 7.559184,
"gamma": 119.9999928962,
"matrix": [
[
2.287439,
-3.96196,
0
],
[
... | CeAgGe | MP metalic material | I | PBE | P6_3mc | 0.0109 |
Materials Project | [] | {
"@class": "Structure",
"@module": "pymatgen.core.structure",
"charge": null,
"lattice": {
"a": 5.7584927276,
"alpha": 57.7526340266,
"b": 5.7584929904,
"beta": 57.7526426357,
"c": 6.1451821439,
"gamma": 60.0521659681,
"matrix": [
[
5.753408,
-0.005556999999999... | CrO2 | MP metalic material | I | PBE | Imma | 0.0111 |
Materials Project | [] | {
"@class": "Structure",
"@module": "pymatgen.core.structure",
"charge": null,
"lattice": {
"a": 5.476050493,
"alpha": 90,
"b": 5.476050493,
"beta": 90,
"c": 11.832999,
"gamma": 105.0863932357,
"matrix": [
[
3.330332,
-4.346955,
0
],
[
... | Nb2P2O9 | MP metalic material | I | PBE | Cmce | 0.0112 |
Materials Project | [
245273,
72558,
166283,
245565,
245272,
245274,
245564
] | {
"@class": "Structure",
"@module": "pymatgen.core.structure",
"charge": null,
"lattice": {
"a": 3.786162,
"alpha": 90,
"b": 3.786162,
"beta": 90,
"c": 3.786162,
"gamma": 90,
"matrix": [
[
3.786162,
0,
0
],
[
0,
3.786162,
... | CeAlO3 | MP metalic material | I | PBE | Pm-3m | 0.0113 |
Materials Project | [
416020
] | {
"@class": "Structure",
"@module": "pymatgen.core.structure",
"charge": null,
"lattice": {
"a": 8.1336508436,
"alpha": 133.3659134457,
"b": 8.1336508436,
"beta": 125.2983547388,
"c": 8.1336508436,
"gamma": 74.6633895491,
"matrix": [
[
-3.219451,
3.736905,
... | Eu2I2O | MP metalic material | I | PBE | Ibam | 0.0114 |
Materials Project | [
23490
] | {
"@class": "Structure",
"@module": "pymatgen.core.structure",
"charge": null,
"lattice": {
"a": 7.045483,
"alpha": 90,
"b": 7.316137,
"beta": 90,
"c": 14.437327,
"gamma": 90,
"matrix": [
[
7.045483,
0,
0
],
[
0,
7.316137,
... | CeSI | MP metalic material | I | PBE | Pbca | 0.0114 |
Materials Project | [
414464
] | {
"@class": "Structure",
"@module": "pymatgen.core.structure",
"charge": null,
"lattice": {
"a": 6.5803480799,
"alpha": 88.8828334391,
"b": 6.5803480799,
"beta": 88.8828334391,
"c": 13.948023361,
"gamma": 91.6091340377,
"matrix": [
[
4.717887,
4.587213,
... | Ag2TeO4 | MP metalic material | I | PBE | C2/c | 0.0115 |
Materials Project | [] | {
"@class": "Structure",
"@module": "pymatgen.core.structure",
"charge": null,
"lattice": {
"a": 4.067159,
"alpha": 90,
"b": 4.067159,
"beta": 90,
"c": 4.067159,
"gamma": 90,
"matrix": [
[
4.067159,
0,
0
],
[
0,
4.067159,
... | TaInO3 | MP metalic material | I | PBE | Pm-3m | 0.0116 |
Materials Project | [
62493
] | {
"@class": "Structure",
"@module": "pymatgen.core.structure",
"charge": null,
"lattice": {
"a": 6.957303,
"alpha": 68.8528036786,
"b": 7.826659,
"beta": 90,
"c": 10.7404098841,
"gamma": 90,
"matrix": [
[
6.957303,
0,
0
],
[
0,
... | K2UP2(H2O5)2 | MP metalic material | I | PBE | P2_1 | 0.0116 |
Materials Project | [] | {
"@class": "Structure",
"@module": "pymatgen.core.structure",
"charge": null,
"lattice": {
"a": 4.885899,
"alpha": 90,
"b": 4.885899,
"beta": 90,
"c": 4.885899,
"gamma": 90,
"matrix": [
[
4.885899,
0,
0
],
[
0,
4.885899,
... | Tb3GaC | MP metalic material | I | PBE | Pm-3m | 0.0116 |
Materials Project | [
54465,
240860
] | {
"@class": "Structure",
"@module": "pymatgen.core.structure",
"charge": null,
"lattice": {
"a": 4.5134654127000005,
"alpha": 60,
"b": 4.5134654127000005,
"beta": 60,
"c": 4.5134654127000005,
"gamma": 60,
"matrix": [
[
0,
3.191502,
3.191502
],
... | MnSnAu | MP metalic material | I | PBE | F-43m | 0.0116 |
Materials Project | [
90870
] | {
"@class": "Structure",
"@module": "pymatgen.core.structure",
"charge": null,
"lattice": {
"a": 4.657697,
"alpha": 90,
"b": 7.341591,
"beta": 90,
"c": 7.836823,
"gamma": 90,
"matrix": [
[
4.657697,
0,
0
],
[
0,
7.341591,
... | CeSbRh | MP metalic material | I | PBE | Pnma | 0.0117 |
Materials Project | [] | {
"@class": "Structure",
"@module": "pymatgen.core.structure",
"charge": null,
"lattice": {
"a": 5.9382064904,
"alpha": 74.0805976674,
"b": 5.9382064904,
"beta": 74.0805976674,
"c": 10.2917196124,
"gamma": 58.6827308933,
"matrix": [
[
2.909792,
5.176428,
... | Ba2CuTeO6 | MP metalic material | I | PBE | C2/m | 0.0117 |
Materials Project | [
24553
] | {
"@class": "Structure",
"@module": "pymatgen.core.structure",
"charge": null,
"lattice": {
"a": 4.97708,
"alpha": 90,
"b": 6.967348,
"beta": 90,
"c": 8.955424,
"gamma": 90,
"matrix": [
[
4.97708,
0,
0
],
[
0,
6.967348,
... | BaSO2 | MP metalic material | I | PBE | Pnma | 0.0117 |
Materials Project | [
50458
] | {
"@class": "Structure",
"@module": "pymatgen.core.structure",
"charge": null,
"lattice": {
"a": 5.0786982544,
"alpha": 87.2046148973,
"b": 5.0786982544,
"beta": 87.2046148973,
"c": 18.5319530843,
"gamma": 91.4674939884,
"matrix": [
[
3.636876,
3.544899,
... | TlCuAsO4 | MP metalic material | I | PBE | C2/c | 0.0118 |
Materials Project | [] | {
"@class": "Structure",
"@module": "pymatgen.core.structure",
"charge": null,
"lattice": {
"a": 8.40485054,
"alpha": 61.6495435955,
"b": 8.40485054,
"beta": 61.6495435955,
"c": 8.4048506077,
"gamma": 61.6495489419,
"matrix": [
[
7.217568,
-4.306765,
0
... | Mn3Cr2Ni(PO4)6 | MP metalic material | I | PBE | R3 | 0.0118 |
Materials Project | [] | {
"@class": "Structure",
"@module": "pymatgen.core.structure",
"charge": null,
"lattice": {
"a": 4.591865,
"alpha": 83.1271333281,
"b": 5.523567,
"beta": 90,
"c": 10.1817306609,
"gamma": 90,
"matrix": [
[
4.591865,
0,
0
],
[
0,
... | Mn2O3F | MP metalic material | I | PBE | P2_1/c | 0.012 |
Materials Project | [] | {
"@class": "Structure",
"@module": "pymatgen.core.structure",
"charge": null,
"lattice": {
"a": 7.222949,
"alpha": 89.258107978,
"b": 7.3061009803,
"beta": 89.3239343184,
"c": 17.7715652863,
"gamma": 61.7617710671,
"matrix": [
[
7.222949,
0,
0
],
... | Li2CoCl4 | MP metalic material | I | PBE | P1 | 0.012 |
Materials Project | [
34007,
15835
] | {
"@class": "Structure",
"@module": "pymatgen.core.structure",
"charge": null,
"lattice": {
"a": 9.962749,
"alpha": 57.5239786029,
"b": 5.453083,
"beta": 90,
"c": 10.0889381316,
"gamma": 90,
"matrix": [
[
9.962749,
0,
0
],
[
0,
... | FePO6 | MP metalic material | I | PBE | P2_1/c | 0.012 |
Materials Project | [] | {
"@class": "Structure",
"@module": "pymatgen.core.structure",
"charge": null,
"lattice": {
"a": 6.370981,
"alpha": 74.1405132518,
"b": 7.757765248,
"beta": 86.1877871272,
"c": 11.1137457099,
"gamma": 79.2173998407,
"matrix": [
[
6.370981,
0,
0
],
... | Fe2P3O13 | MP metalic material | I | PBE | P-1 | 0.0121 |
Materials Project | [] | {
"@class": "Structure",
"@module": "pymatgen.core.structure",
"charge": null,
"lattice": {
"a": 7.1953785799,
"alpha": 90.4927993811,
"b": 8.3430104199,
"beta": 111.1330499321,
"c": 9.7049478203,
"gamma": 91.3770125614,
"matrix": [
[
2.589538,
-0.20157599999999... | Li2MnV(P2O7)2 | MP metalic material | I | PBE | P1 | 0.0122 |
Materials Project | [
165378
] | {
"@class": "Structure",
"@module": "pymatgen.core.structure",
"charge": null,
"lattice": {
"a": 7.0308113061,
"alpha": 90,
"b": 7.0308113061,
"beta": 90,
"c": 16.267018,
"gamma": 119.9999934706,
"matrix": [
[
3.515406,
-6.088861,
0
],
[
... | Cs2Mn(TeS3)2 | MP metalic material | I | PBE | P-3c1 | 0.0123 |
Materials Project | [
412945
] | {
"@class": "Structure",
"@module": "pymatgen.core.structure",
"charge": null,
"lattice": {
"a": 7.007556,
"alpha": 70.3141839123,
"b": 8.157075,
"beta": 90,
"c": 10.8991872708,
"gamma": 90,
"matrix": [
[
7.007556,
0,
0
],
[
0,
... | Gd2Cu(SeO3)4 | MP metalic material | I | PBE | P2_1/c | 0.0124 |
Materials Project | [
421445
] | {
"@class": "Structure",
"@module": "pymatgen.core.structure",
"charge": null,
"lattice": {
"a": 10.2849697427,
"alpha": 90,
"b": 10.2849697427,
"beta": 90,
"c": 5.8641,
"gamma": 119.9999983446,
"matrix": [
[
5.142485,
-8.907045,
0
],
[
... | NaCe3GeS7 | MP metalic material | I | PBE | P6_3 | 0.0125 |
Materials Project | [] | {
"@class": "Structure",
"@module": "pymatgen.core.structure",
"charge": null,
"lattice": {
"a": 12.1794089768,
"alpha": 77.5848208926,
"b": 12.1794089768,
"beta": 77.5848208926,
"c": 5.2936089405,
"gamma": 25.6545476629,
"matrix": [
[
2.703983,
11.875457,
... | Sr2AlGaCu2O7 | MP metalic material | I | PBE | Cc | 0.0126 |
Materials Project | [] | {
"@class": "Structure",
"@module": "pymatgen.core.structure",
"charge": null,
"lattice": {
"a": 5.570384,
"alpha": 86.7838632244,
"b": 8.9379414111,
"beta": 81.7385828088,
"c": 10.3832961339,
"gamma": 89.3303736045,
"matrix": [
[
5.570384,
0,
0
],... | K2Li2NiO4 | MP metalic material | I | PBE | P1 | 0.0127 |
Materials Project | [] | {
"@class": "Structure",
"@module": "pymatgen.core.structure",
"charge": null,
"lattice": {
"a": 8.7576492684,
"alpha": 60.0825323647,
"b": 8.7576492684,
"beta": 60.0825323647,
"c": 8.7576487194,
"gamma": 60.0825327008,
"matrix": [
[
7.581191,
-4.384286,
... | Mn5P6WO24 | MP metalic material | I | PBE | R3 | 0.0128 |
Materials Project | [
419953
] | {
"@class": "Structure",
"@module": "pymatgen.core.structure",
"charge": null,
"lattice": {
"a": 6.964995,
"alpha": 83.9230001342,
"b": 6.901534,
"beta": 90,
"c": 7.1399769477,
"gamma": 90,
"matrix": [
[
6.964995,
0,
0
],
[
0,
... | YbSeO3F | MP metalic material | I | PBE | P2_1/c | 0.0128 |
Materials Project | [] | {
"@class": "Structure",
"@module": "pymatgen.core.structure",
"charge": null,
"lattice": {
"a": 4.5349063046,
"alpha": 60,
"b": 4.5349063046,
"beta": 60,
"c": 4.5349063046,
"gamma": 60,
"matrix": [
[
0,
3.206663,
3.206663
],
[
3.2066... | OsPtCl2 | MP metalic material | I | PBE | F-43m | 0.0128 |
Materials Project | [
16387
] | {
"@class": "Structure",
"@module": "pymatgen.core.structure",
"charge": null,
"lattice": {
"a": 5.509423,
"alpha": 82.9773114815,
"b": 9.557358,
"beta": 90,
"c": 14.4338685542,
"gamma": 90,
"matrix": [
[
5.509423,
0,
0
],
[
0,
... | Ba(SbO2)3 | MP metalic material | I | PBE | P2_1/c | 0.013 |
Materials Project | [] | {
"@class": "Structure",
"@module": "pymatgen.core.structure",
"charge": null,
"lattice": {
"a": 5.255443,
"alpha": 94.8763504958,
"b": 8.9145461124,
"beta": 100.3733284941,
"c": 9.029071165,
"gamma": 104.8461671397,
"matrix": [
[
5.255443,
0,
0
],... | NaFe2P2HO8 | MP metalic material | I | PBE | P-1 | 0.013 |
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