GET /third-parties/MatprojStructure/?format=api&ordering=is_gap_direct
HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept

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        {
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            "structure_string": "Lu4 Nb24 Cl52 O12\n1.0\n9.347425 0.000000 -0.000000\n-0.000000 9.347425 -0.000000\n-4.673712 -4.673712 26.970120\nLu Nb Cl O\n4 24 52 12\ndirect\n0.094310 0.094310 0.188620 Lu\n0.344310 0.844310 0.688620 Lu\n0.155690 0.655690 0.311380 Lu\n0.905690 0.905690 0.811380 Lu\n0.356863 0.296725 0.431714 Nb\n0.074851 0.134989 0.431714 Nb\n0.384989 0.106863 0.931714 Nb\n0.893137 0.615011 0.068286 Nb\n0.546725 0.824851 0.931714 Nb\n0.175149 0.453275 0.068286 Nb\n0.865011 0.925149 0.568286 Nb\n0.703275 0.643137 0.568286 Nb\n0.178651 0.752910 0.126383 Nb\n0.947732 0.373474 0.126383 Nb\n0.623474 0.928651 0.626383 Nb\n0.071349 0.376526 0.373617 Nb\n0.002910 0.697732 0.626383 Nb\n0.302268 0.997090 0.373617 Nb\n0.626526 0.052268 0.873617 Nb\n0.247090 0.821349 0.873617 Nb\n0.285335 0.250142 0.319825 Nb\n0.034490 0.069683 0.319825 Nb\n0.319683 0.035335 0.819825 Nb\n0.964665 0.680317 0.180175 Nb\n0.500142 0.784490 0.819825 Nb\n0.215510 0.499858 0.180175 Nb\n0.930317 0.965510 0.680175 Nb\n0.749858 0.714665 0.680175 Nb\n0.388303 0.375000 0.250000 Cl\n0.861697 0.875000 0.250000 Cl\n0.125000 0.138303 0.750000 Cl\n0.625000 0.611697 0.750000 Cl\n0.502654 0.377184 0.374899 Cl\n0.872244 0.997714 0.374899 Cl\n0.247714 0.252654 0.874899 Cl\n0.747346 0.752286 0.125101 Cl\n0.627184 0.622244 0.874899 Cl\n0.377756 0.372816 0.125101 Cl\n0.002286 0.127756 0.625101 Cl\n0.622816 0.497346 0.625101 Cl\n0.387311 0.714562 0.191646 Cl\n0.804335 0.477084 0.191646 Cl\n0.727084 0.137311 0.691646 Cl\n0.862689 0.272916 0.308354 Cl\n0.964562 0.554335 0.691646 Cl\n0.445665 0.035438 0.308354 Cl\n0.522916 0.195665 0.808354 Cl\n0.285438 0.612689 0.808354 Cl\n0.051165 0.216367 0.060066 Cl\n0.008901 0.843699 0.060066 Cl\n0.093699 0.801165 0.560066 Cl\n0.198835 0.906301 0.439934 Cl\n0.466367 0.758901 0.560066 Cl\n0.241099 0.533633 0.439934 Cl\n0.156301 0.991099 0.939934 Cl\n0.783633 0.948835 0.939934 Cl\n0.329991 0.663786 0.063270 Cl\n0.733279 0.399484 0.063270 Cl\n0.649484 0.079991 0.563270 Cl\n0.920009 0.350516 0.436730 Cl\n0.913786 0.483279 0.563270 Cl\n0.516721 0.086214 0.436730 Cl\n0.600516 0.266721 0.936730 Cl\n0.336214 0.670009 0.936730 Cl\n0.326132 0.326132 0.000000 Cl\n0.673868 0.673868 0.000000 Cl\n0.923868 0.076132 0.500000 Cl\n0.576132 0.423868 0.500000 Cl\n0.251729 0.251729 0.503458 Cl\n0.501729 0.001729 0.003458 Cl\n0.998271 0.498271 0.996542 Cl\n0.748271 0.748271 0.496542 Cl\n0.411814 0.733347 0.358295 Cl\n0.946481 0.624948 0.358295 Cl\n0.874948 0.161814 0.858295 Cl\n0.838186 0.125052 0.141705 Cl\n0.983347 0.696481 0.858295 Cl\n0.303519 0.016653 0.141705 Cl\n0.375052 0.053519 0.641705 Cl\n0.266653 0.588186 0.641705 Cl\n0.104686 0.315643 0.177632 O\n0.072947 0.861990 0.177632 O\n0.111990 0.854686 0.677632 O\n0.145314 0.888010 0.322368 O\n0.565643 0.822947 0.677632 O\n0.177053 0.434357 0.322368 O\n0.138010 0.927053 0.822368 O\n0.684357 0.895314 0.822368 O\n0.133068 0.133068 0.266136 O\n0.383068 0.883068 0.766136 O\n0.116932 0.616932 0.233864 O\n0.866932 0.866932 0.733864 O\n",
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            "structure_string": "Li5 Ti2 Fe3 O10\n1.0\n5.167998 0.000000 0.000000\n0.902863 5.160037 0.000000\n2.539170 2.013005 7.139866\nLi Ti Fe O\n5 2 3 10\ndirect\n0.494837 0.779901 0.405043 Li\n0.513671 0.600364 0.790112 Li\n0.000000 0.500000 0.500000 Li\n0.505163 0.220099 0.594957 Li\n0.486329 0.399636 0.209888 Li\n0.021832 0.904246 0.694200 Ti\n0.978168 0.095754 0.305800 Ti\n0.500000 0.000000 0.000000 Fe\n0.000873 0.687438 0.106149 Fe\n0.999127 0.312562 0.893851 Fe\n0.245218 0.951231 0.845791 O\n0.781475 0.865811 0.539906 O\n0.749728 0.684610 0.933040 O\n0.252783 0.784144 0.240134 O\n0.228852 0.576938 0.660323 O\n0.771148 0.423062 0.339677 O\n0.747217 0.215856 0.759866 O\n0.250272 0.315390 0.066960 O\n0.218525 0.134189 0.460094 O\n0.754782 0.048769 0.154209 O\n",
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        {
            "id": "mp-1334103",
            "created_at": "2022-09-04T14:42:39.097499Z",
            "structure_string": "Li18 Nd12 Sb6 Te2 O48\n1.0\n11.101797 0.000000 0.000000\n-3.711696 10.464232 0.000000\n-3.561007 -5.289125 9.131375\nLi Nd Sb Te O\n18 12 6 2 48\ndirect\n0.881974 0.871119 0.839678 Li\n0.248323 0.870834 0.870744 Li\n0.393089 0.643329 0.706875 Li\n0.880301 0.136270 0.725198 Li\n0.757814 0.632206 0.619223 Li\n0.626038 0.249574 0.625620 Li\n0.371984 0.749127 0.377957 Li\n0.255689 0.388216 0.394947 Li\n0.147274 0.851632 0.253610 Li\n0.611325 0.368868 0.263802 Li\n0.787334 0.605679 0.009566 Li\n0.702648 0.129395 0.164035 Li\n0.208569 0.309129 0.258100 Li\n0.797297 0.092878 0.958627 Li\n0.105205 0.029658 0.211394 Li\n0.127666 0.251494 0.121040 Li\n0.261108 0.460941 0.924416 Li\n0.929476 0.182593 0.107952 Li\n0.622005 0.881586 0.744940 Nd\n0.751575 0.375513 0.860940 Nd\n0.377113 0.242531 0.866628 Nd\n0.124318 0.756023 0.616173 Nd\n0.129314 0.376208 0.733989 Nd\n0.735498 0.862773 0.385682 Nd\n0.261187 0.124659 0.617858 Nd\n0.867570 0.241980 0.390967 Nd\n0.867675 0.618886 0.264718 Nd\n0.607003 0.736753 0.147235 Nd\n0.249871 0.634192 0.128664 Nd\n0.384569 0.116765 0.253991 Nd\n0.497971 0.999048 0.996074 Sb\n0.997224 0.991175 0.004736 Sb\n0.499616 0.494624 0.507689 Sb\n0.500498 0.999803 0.503469 Sb\n0.000246 0.495991 0.499651 Sb\n0.004177 0.002256 0.497908 Sb\n0.505433 0.503817 0.993704 Te\n0.997721 0.497113 0.998178 Te\n0.677850 0.974650 0.907189 O\n0.894923 0.317657 0.987157 O\n0.932397 0.588681 0.873787 O\n0.672677 0.687225 0.934532 O\n0.405690 0.877876 0.920674 O\n0.427235 0.616027 0.900984 O\n0.596818 0.478785 0.828916 O\n0.807511 0.835956 0.567861 O\n0.908594 0.579723 0.614842 O\n0.917397 0.324227 0.700049 O\n0.298156 0.913256 0.671327 O\n0.113052 0.187222 0.992251 O\n0.578766 0.197799 0.826679 O\n0.173710 0.553623 0.821511 O\n0.533097 0.832690 0.587282 O\n0.032248 0.914945 0.664319 O\n0.376593 0.465936 0.710821 O\n0.194105 0.025149 0.875047 O\n0.698789 0.616884 0.475838 O\n0.879165 0.078698 0.588442 O\n0.828380 0.404375 0.471104 O\n0.475408 0.297879 0.620153 O\n0.387831 0.911991 0.414328 O\n0.996473 0.109099 0.823707 O\n0.978331 0.877664 0.198924 O\n0.616325 0.088714 0.587411 O\n0.519007 0.691587 0.392514 O\n0.171505 0.589544 0.528520 O\n0.127005 0.929529 0.391755 O\n0.298304 0.372889 0.539979 O\n0.805569 0.986369 0.126342 O\n0.612660 0.523835 0.304638 O\n0.004731 0.112502 0.312035 O\n0.476728 0.171083 0.408278 O\n0.824695 0.439693 0.174985 O\n0.417627 0.801444 0.171963 O\n0.865891 0.795356 0.032061 O\n0.709892 0.086645 0.331780 O\n0.098071 0.414704 0.378838 O\n0.078952 0.661488 0.299747 O\n0.206710 0.179385 0.414929 O\n0.394034 0.512776 0.170417 O\n0.577251 0.387636 0.090988 O\n0.602415 0.120673 0.067320 O\n0.323997 0.319558 0.068519 O\n0.064078 0.387967 0.115655 O\n0.097562 0.661942 0.021108 O\n0.325801 0.030420 0.093622 O\n",
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N\n0.255466 0.509759 0.250987 N\n0.490241 0.745707 0.250987 N\n0.509759 0.255466 0.750987 N\n0.745707 0.490241 0.750987 N\n0.744534 0.254293 0.750987 N\n",
            "nsites": 164,
            "nelements": 5,
            "elements": [
                "Pu",
                "Si",
                "H",
                "C",
                "N"
            ],
            "chemical_system": "C-H-N-Pu-Si",
            "density": 1.0925513031037617,
            "density_atomic": 0.07440053729257252,
            "volume": 2204.285156639215,
            "volume_molar": 8.094216761256098,
            "formula_full": "Pu2 Si12 H108 C36 N6",
            "formula_reduced": "PuSi6H54(C6N)3",
            "formula_anonymous": "AB3C6D18E54",
            "energy": -886.3210871,
            "energy_per_atom": -5.404396872560976,
            "energy_above_hull": null,
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            "energy_uncorrected": -884.1550871,
            "band_gap": 3.5219,
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            "is_magnetic": true,
            "total_magnetization": 9.9867064,
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            "updated_at": "2021-11-28T01:35:52.245000Z",
            "spacegroup": 159
        },
        {
            "id": "mp-7463",
            "created_at": "2022-09-04T14:42:38.929545Z",
            "structure_string": "Cu18 P6\n1.0\n3.479086 -6.025953 0.000000\n3.479086 6.025953 0.000000\n0.000000 0.000000 7.178114\nCu P\n18 6\ndirect\n0.384188 0.000000 0.426782 Cu\n0.384188 0.384188 0.926782 Cu\n0.000000 0.615812 0.926782 Cu\n0.000000 0.384188 0.426782 Cu\n0.615812 0.615812 0.426782 Cu\n0.615812 0.000000 0.926782 Cu\n0.333333 0.666667 0.188290 Cu\n0.666667 0.333333 0.688290 Cu\n0.333333 0.666667 0.688290 Cu\n0.666667 0.333333 0.188290 Cu\n0.000000 0.000000 0.328336 Cu\n0.000000 0.000000 0.828336 Cu\n0.728224 0.000000 0.578218 Cu\n0.728224 0.728224 0.078218 Cu\n0.000000 0.271776 0.078218 Cu\n0.000000 0.728224 0.578218 Cu\n0.271776 0.271776 0.578218 Cu\n0.271776 0.000000 0.078218 Cu\n0.669247 0.000000 0.251428 P\n0.669247 0.669247 0.751428 P\n0.000000 0.330753 0.751428 P\n0.000000 0.669247 0.251428 P\n0.330753 0.330753 0.251428 P\n0.330753 0.000000 0.751428 P\n",
            "nsites": 24,
            "nelements": 2,
            "elements": [
                "Cu",
                "P"
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            "chemical_system": "Cu-P",
            "density": 7.336043591737965,
            "density_atomic": 0.07974069020074703,
            "volume": 300.975573945749,
            "volume_molar": 7.552155298429538,
            "formula_full": "Cu18 P6",
            "formula_reduced": "Cu3P",
            "formula_anonymous": "AB3",
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            "updated_at": "2021-11-28T01:35:50.473000Z",
            "spacegroup": 185
        },
        {
            "id": "mp-1185720",
            "created_at": "2022-09-04T14:42:38.785617Z",
            "structure_string": "Mg16 Al12 Zn1\n1.0\n-5.256093 5.256093 5.256093\n5.256093 -5.256093 5.256093\n5.256093 5.256093 -5.256093\nMg Al Zn\n16 12 1\ndirect\n0.000000 0.330858 0.000000 Mg\n0.330858 0.000000 0.000000 Mg\n0.313126 0.598671 0.000000 Mg\n0.598671 0.313126 0.000000 Mg\n0.401329 0.401329 0.714455 Mg\n0.686874 0.285545 0.686874 Mg\n0.285545 0.686874 0.686874 Mg\n0.669142 0.669142 0.669142 Mg\n0.313126 0.000000 0.598671 Mg\n0.000000 0.313126 0.598671 Mg\n0.401329 0.714455 0.401329 Mg\n0.714455 0.401329 0.401329 Mg\n0.000000 0.000000 0.330858 Mg\n0.000000 0.598671 0.313126 Mg\n0.598671 0.000000 0.313126 Mg\n0.686874 0.686874 0.285545 Mg\n0.814279 0.631614 0.000000 Al\n0.631614 0.814279 0.000000 Al\n0.185721 0.185721 0.817335 Al\n0.631614 0.000000 0.814279 Al\n0.000000 0.631614 0.814279 Al\n0.000000 0.814279 0.631614 Al\n0.814279 0.000000 0.631614 Al\n0.182665 0.368386 0.368386 Al\n0.368386 0.182665 0.368386 Al\n0.185721 0.817335 0.185721 Al\n0.817335 0.185721 0.185721 Al\n0.368386 0.368386 0.182665 Al\n0.000000 0.000000 0.000000 Zn\n",
            "nsites": 29,
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            "elements": [
                "Mg",
                "Al",
                "Zn"
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            "chemical_system": "Al-Mg-Zn",
            "density": 2.2244222883577582,
            "density_atomic": 0.049928541968779466,
            "volume": 580.8300995076889,
            "volume_molar": 12.061519368552101,
            "formula_full": "Mg16 Al12 Zn1",
            "formula_reduced": "Mg16Al12Zn",
            "formula_anonymous": "AB12C16",
            "energy": -72.28396522,
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            "total_magnetization": 0.0004378,
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            "updated_at": "2021-11-28T01:35:49.809000Z",
            "spacegroup": 217
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    ]
}