GET /third-parties/MatprojStructure/?format=api&ordering=decomposes_to&page=10260
HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept

{
    "count": 146323,
    "next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=decomposes_to&page=10261",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=decomposes_to&page=10259",
    "results": [
        {
            "id": "mp-755367",
            "created_at": "2022-09-04T14:45:04.087634Z",
            "structure_string": "Li1 Ta2 Cu1 O6\n1.0\n4.923613 -2.623031 0.000000\n4.923613 2.623031 0.000000\n3.526206 0.000000 4.322976\nLi Ta Cu O\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 Li\n0.248577 0.248577 0.248577 Ta\n0.751423 0.751423 0.751423 Ta\n0.000000 0.000000 0.000000 Cu\n0.387122 0.612878 0.000000 O\n0.612878 0.000000 0.387122 O\n0.000000 0.387122 0.612878 O\n0.500000 0.119487 0.880513 O\n0.880513 0.500000 0.119487 O\n0.119487 0.880513 0.500000 O\n",
            "nsites": 10,
            "nelements": 4,
            "elements": [
                "Li",
                "Ta",
                "Cu",
                "O"
            ],
            "chemical_system": "Cu-Li-O-Ta",
            "density": 7.857685175658986,
            "density_atomic": 0.08955706389316442,
            "volume": 111.66065037515443,
            "volume_molar": 6.724361539123268,
            "formula_full": "Li1 Ta2 Cu1 O6",
            "formula_reduced": "LiTa2CuO6",
            "formula_anonymous": "ABC2D6",
            "energy": -87.07889836999999,
            "energy_per_atom": -8.707889837,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -82.95689837,
            "band_gap": 0.8805999999999994,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 3.4e-06,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:48.901000Z",
            "spacegroup": 155
        },
        {
            "id": "mp-738633",
            "created_at": "2022-09-04T14:45:04.351415Z",
            "structure_string": "Ag4 B40 H104 C24 N4\n1.0\n7.433404 0.000000 0.000000\n0.000000 9.611452 0.000000\n0.000000 3.754546 22.649008\nAg B H C N\n4 40 104 24 4\ndirect\n0.961475 0.598644 0.698360 Ag\n0.461475 0.401356 0.801640 Ag\n0.038525 0.401356 0.301640 Ag\n0.538525 0.598644 0.198360 Ag\n0.248017 0.762506 0.677491 B\n0.748017 0.237494 0.822509 B\n0.751983 0.237494 0.322509 B\n0.251983 0.762506 0.177491 B\n0.284462 0.606695 0.653218 B\n0.784462 0.393305 0.846782 B\n0.715538 0.393305 0.346782 B\n0.215538 0.606695 0.153218 B\n0.406969 0.656309 0.716355 B\n0.906969 0.343691 0.783645 B\n0.593031 0.343691 0.283645 B\n0.093031 0.656309 0.216355 B\n0.463132 0.826868 0.671717 B\n0.963132 0.173132 0.828283 B\n0.536868 0.173132 0.328283 B\n0.036868 0.826868 0.171717 B\n0.342337 0.776471 0.608627 B\n0.842337 0.223529 0.891373 B\n0.657663 0.223529 0.391373 B\n0.157663 0.776471 0.108627 B\n0.503117 0.533308 0.674381 B\n0.003117 0.466692 0.825619 B\n0.496883 0.466692 0.325619 B\n0.996883 0.533308 0.174381 B\n0.630439 0.688679 0.687117 B\n0.130439 0.311321 0.812883 B\n0.369561 0.311321 0.312883 B\n0.869561 0.688679 0.187117 B\n0.584641 0.774164 0.611212 B\n0.084641 0.225836 0.888788 B\n0.415359 0.225836 0.388788 B\n0.915359 0.774164 0.111212 B\n0.459220 0.617947 0.598204 B\n0.959220 0.382053 0.901796 B\n0.540780 0.382053 0.401796 B\n0.040780 0.617947 0.098204 B\n0.669687 0.607124 0.627956 B\n0.169687 0.392876 0.872044 B\n0.330313 0.392876 0.372044 B\n0.830313 0.607124 0.127956 B\n0.711132 0.974784 0.883728 H\n0.211132 0.025216 0.616272 H\n0.288868 0.025216 0.116272 H\n0.788868 0.974784 0.383728 H\n0.014651 0.914523 0.936284 H\n0.514651 0.085477 0.563716 H\n0.985349 0.085477 0.063716 H\n0.485349 0.914523 0.436284 H\n0.384917 0.029155 0.835553 H\n0.884917 0.970845 0.664447 H\n0.615083 0.970845 0.164447 H\n0.115083 0.029155 0.335553 H\n0.427917 0.651474 0.937075 H\n0.927917 0.348526 0.562925 H\n0.572083 0.348526 0.062925 H\n0.072083 0.651474 0.437075 H\n0.117604 0.818131 0.694761 H\n0.617604 0.181869 0.805239 H\n0.882396 0.181869 0.305239 H\n0.382396 0.818131 0.194761 H\n0.169345 0.518376 0.648212 H\n0.669345 0.481624 0.851788 H\n0.830655 0.481624 0.351788 H\n0.330655 0.518376 0.148212 H\n0.382660 0.626062 0.769156 H\n0.882660 0.373938 0.730844 H\n0.617340 0.373938 0.230844 H\n0.117340 0.626062 0.269156 H\n0.492741 0.939463 0.686139 H\n0.992741 0.060537 0.813861 H\n0.507259 0.060537 0.313861 H\n0.007259 0.939463 0.186139 H\n0.271585 0.845129 0.566030 H\n0.771585 0.154871 0.933970 H\n0.728415 0.154871 0.433970 H\n0.228415 0.845129 0.066030 H\n0.513526 0.409649 0.694856 H\n0.013526 0.590351 0.805144 H\n0.486474 0.590351 0.305144 H\n0.986474 0.409649 0.194856 H\n0.741169 0.709568 0.724255 H\n0.241169 0.290432 0.775745 H\n0.258831 0.290432 0.275745 H\n0.758831 0.709568 0.224255 H\n0.667401 0.861596 0.578302 H\n0.167401 0.138404 0.921698 H\n0.332599 0.138404 0.421698 H\n0.832599 0.861596 0.078302 H\n0.436706 0.564834 0.554990 H\n0.936706 0.435166 0.945010 H\n0.563294 0.435166 0.445010 H\n0.063294 0.564834 0.054990 H\n0.798393 0.556798 0.607598 H\n0.298393 0.443202 0.892402 H\n0.201607 0.443202 0.392402 H\n0.701607 0.556798 0.107598 H\n0.798922 0.671557 0.896174 H\n0.298922 0.328443 0.603826 H\n0.201078 0.328443 0.103826 H\n0.701078 0.671557 0.396174 H\n0.900975 0.811962 0.848005 H\n0.400975 0.188038 0.651995 H\n0.099025 0.188038 0.151995 H\n0.599025 0.811962 0.348005 H\n0.919989 0.768709 0.985153 H\n0.419989 0.231291 0.514847 H\n0.080011 0.231291 0.014847 H\n0.580011 0.768709 0.485153 H\n0.090795 0.739092 0.935718 H\n0.590795 0.260908 0.564282 H\n0.909205 0.260908 0.064282 H\n0.409205 0.739092 0.435718 H\n0.547329 0.731252 0.840078 H\n0.047329 0.268748 0.659922 H\n0.452671 0.268748 0.159922 H\n0.952671 0.731252 0.340078 H\n0.644028 0.884288 0.798528 H\n0.144028 0.115712 0.701472 H\n0.355972 0.115712 0.201472 H\n0.855972 0.884288 0.298528 H\n0.314402 0.903187 0.791931 H\n0.814402 0.096813 0.708069 H\n0.685598 0.096813 0.208069 H\n0.185598 0.903187 0.291931 H\n0.289100 0.864873 0.869249 H\n0.789100 0.135127 0.630751 H\n0.710900 0.135127 0.130751 H\n0.210900 0.864873 0.369249 H\n0.660179 0.882313 0.980268 H\n0.160179 0.117687 0.519732 H\n0.339821 0.117687 0.019732 H\n0.839821 0.882313 0.480268 H\n0.453911 0.916549 0.942105 H\n0.953911 0.083451 0.557895 H\n0.546089 0.083451 0.057895 H\n0.046089 0.916549 0.442105 H\n0.631086 0.624275 0.978715 H\n0.131086 0.375725 0.521285 H\n0.368914 0.375725 0.021285 H\n0.868914 0.624275 0.478715 H\n0.437560 0.690066 0.010220 H\n0.937560 0.309934 0.489780 H\n0.562440 0.309934 0.989780 H\n0.062440 0.690066 0.510220 H\n0.841311 0.781966 0.891983 C\n0.341311 0.218034 0.608017 C\n0.158689 0.218034 0.108017 C\n0.658689 0.781966 0.391983 C\n0.971717 0.804020 0.940404 C\n0.471717 0.195980 0.559596 C\n0.028283 0.195980 0.059596 C\n0.528283 0.804020 0.440404 C\n0.560700 0.845676 0.837351 C\n0.060700 0.154324 0.662649 C\n0.439300 0.154324 0.162649 C\n0.939300 0.845676 0.337351 C\n0.377767 0.915898 0.833951 C\n0.877767 0.084102 0.666049 C\n0.622233 0.084102 0.166049 C\n0.122233 0.915898 0.333951 C\n0.570097 0.845419 0.948168 C\n0.070097 0.154581 0.551832 C\n0.429903 0.154581 0.051832 C\n0.929903 0.845419 0.448168 C\n0.513987 0.693795 0.969006 C\n0.013987 0.306205 0.530994 C\n0.486013 0.306205 0.030994 C\n0.986013 0.693795 0.469006 C\n0.671862 0.869832 0.890331 N\n0.171862 0.130168 0.609669 N\n0.328138 0.130168 0.109669 N\n0.828138 0.869832 0.390331 N\n",
            "nsites": 176,
            "nelements": 5,
            "elements": [
                "Ag",
                "B",
                "H",
                "C",
                "N"
            ],
            "chemical_system": "Ag-B-C-H-N",
            "density": 1.3473959252576235,
            "density_atomic": 0.10876439394225049,
            "volume": 1618.1766258307744,
            "volume_molar": 5.536867849599303,
            "formula_full": "Ag4 B40 H104 C24 N4",
            "formula_reduced": "AgB10H26C6N",
            "formula_anonymous": "ABC6D10E26",
            "energy": -910.10107542,
            "energy_per_atom": -5.171028837613637,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -908.65707542,
            "band_gap": 3.8864,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0886782,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:51.159000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-1522264",
            "created_at": "2022-09-04T14:45:04.511098Z",
            "structure_string": "Eu1 Zr1 Fe1 Bi1 O6\n1.0\n0.000000 -4.063866 -4.063866\n4.063866 0.000000 -4.063866\n4.063866 -4.063866 0.000000\nEu Zr Fe Bi O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Eu\n0.500000 0.500000 0.500000 Zr\n-0.000000 0.000000 0.000000 Fe\n0.250000 0.250000 0.250000 Bi\n0.755489 0.244511 0.244511 O\n0.244511 0.755489 0.755489 O\n0.755489 0.244511 0.755489 O\n0.244511 0.755489 0.244511 O\n0.755489 0.755489 0.244511 O\n0.244511 0.244511 0.755489 O\n",
            "nsites": 10,
            "nelements": 5,
            "elements": [
                "Eu",
                "Zr",
                "Fe",
                "Bi",
                "O"
            ],
            "chemical_system": "Bi-Eu-Fe-O-Zr",
            "density": 7.472139116300215,
            "density_atomic": 0.07449924413844336,
            "volume": 134.2295497846503,
            "volume_molar": 8.083492429545917,
            "formula_full": "Eu1 Zr1 Fe1 Bi1 O6",
            "formula_reduced": "EuZrFeBiO6",
            "formula_anonymous": "ABCDE6",
            "energy": -85.71504517,
            "energy_per_atom": -8.571504517,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -79.33704517,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 11.8377329,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:48.352000Z",
            "spacegroup": 216
        },
        {
            "id": "mp-608431",
            "created_at": "2022-09-04T14:45:04.448003Z",
            "structure_string": "Os6 C18 S4 O18\n1.0\n6.802633 0.000000 0.000000\n3.351131 8.994644 0.000000\n1.282699 1.390273 13.576424\nOs C S O\n6 18 4 18\ndirect\n0.671565 0.760233 0.844465 Os\n0.294317 0.600219 0.242144 Os\n0.705683 0.399781 0.757856 Os\n0.418048 0.301922 0.340529 Os\n0.581952 0.698078 0.659471 Os\n0.328435 0.239767 0.155535 Os\n0.794151 0.280332 0.877244 C\n0.559779 0.070927 0.115240 C\n0.909210 0.267956 0.673180 C\n0.440221 0.929073 0.884760 C\n0.697158 0.226893 0.384951 C\n0.205849 0.719668 0.122756 C\n0.145990 0.122859 0.178153 C\n0.307766 0.398308 0.456746 C\n0.245091 0.319724 0.026884 C\n0.754909 0.680276 0.973116 C\n0.302842 0.773107 0.615049 C\n0.090790 0.732044 0.326820 C\n0.498313 0.313436 0.739179 C\n0.501687 0.686564 0.260821 C\n0.692234 0.601692 0.543254 C\n0.374831 0.115784 0.378024 C\n0.854010 0.877141 0.821847 C\n0.625169 0.884216 0.621976 C\n0.548436 0.382000 0.178709 S\n0.451564 0.618000 0.821291 S\n0.094006 0.433114 0.251836 S\n0.905994 0.566886 0.748164 S\n0.967702 0.809963 0.378336 O\n0.348479 0.003269 0.404726 O\n0.195158 0.373521 0.948039 O\n0.964618 0.947437 0.807447 O\n0.626276 0.740445 0.270773 O\n0.303043 0.032998 0.908172 O\n0.840284 0.213785 0.953723 O\n0.035382 0.052563 0.192553 O\n0.032298 0.190037 0.621664 O\n0.804842 0.626479 0.051961 O\n0.651521 0.996731 0.595274 O\n0.867746 0.182598 0.411018 O\n0.373724 0.259555 0.729227 O\n0.760310 0.540491 0.473087 O\n0.696957 0.967002 0.091828 O\n0.132254 0.817402 0.588982 O\n0.239690 0.459509 0.526913 O\n0.159716 0.786215 0.046277 O\n",
            "nsites": 46,
            "nelements": 4,
            "elements": [
                "Os",
                "C",
                "S",
                "O"
            ],
            "chemical_system": "C-O-Os-S",
            "density": 3.5457872341723475,
            "density_atomic": 0.055374704070189254,
            "volume": 830.7042136368528,
            "volume_molar": 10.875255879230956,
            "formula_full": "Os6 C18 S4 O18",
            "formula_reduced": "Os3C9S2O9",
            "formula_anonymous": "A2B3C9D9",
            "energy": -384.34084388,
            "energy_per_atom": -8.35523573652174,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -369.96284388,
            "band_gap": 2.7083,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0006875,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:51.132000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-1236154",
            "created_at": "2022-09-04T14:45:04.496366Z",
            "structure_string": "Li1 V4 O10\n1.0\n5.824953 0.142419 1.388414\n1.319105 6.417244 1.498398\n0.334531 0.191917 7.603670\nLi V O\n1 4 10\ndirect\n0.705067 0.957204 0.882038 Li\n0.144794 0.712237 0.570927 V\n0.845445 0.287790 0.427327 V\n0.691877 0.843903 0.368370 V\n0.314002 0.144922 0.619272 V\n0.998008 0.817153 0.380418 O\n0.974119 0.181582 0.622167 O\n0.372130 0.870241 0.530715 O\n0.627523 0.128666 0.439137 O\n0.947832 0.737688 0.768115 O\n0.055718 0.271771 0.242340 O\n0.676310 0.914496 0.149868 O\n0.386985 0.067679 0.823197 O\n0.266994 0.452117 0.565842 O\n0.711946 0.562552 0.425081 O\n",
            "nsites": 15,
            "nelements": 3,
            "elements": [
                "Li",
                "V",
                "O"
            ],
            "chemical_system": "Li-O-V",
            "density": 2.2097659142542168,
            "density_atomic": 0.05384739205001245,
            "volume": 278.56502290896987,
            "volume_molar": 11.183718525136275,
            "formula_full": "Li1 V4 O10",
            "formula_reduced": "LiV4O10",
            "formula_anonymous": "AB4C10",
            "energy": -122.78645965,
            "energy_per_atom": -8.185763976666667,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -109.11645965,
            "band_gap": 1.2247,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 1.0000343,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:46.482000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-30228",
            "created_at": "2022-09-04T14:45:04.513284Z",
            "structure_string": "Li8 H2 N2\n1.0\n-2.427820 2.427820 4.969362\n2.427820 -2.427820 4.969362\n2.427820 2.427820 -4.969362\nLi H N\n8 2 2\ndirect\n0.901331 0.800105 0.517593 Li\n0.133738 0.151331 0.601226 Li\n0.550105 0.532512 0.398774 Li\n0.282512 0.383738 0.482407 Li\n0.848669 0.449895 0.982407 Li\n0.616262 0.098669 0.898774 Li\n0.199895 0.717488 0.101226 Li\n0.467488 0.866262 0.017593 Li\n0.000000 0.000000 0.000000 H\n0.750000 0.250000 0.500000 H\n0.500000 0.500000 0.000000 N\n0.250000 0.750000 0.500000 N\n",
            "nsites": 12,
            "nelements": 3,
            "elements": [
                "Li",
                "H",
                "N"
            ],
            "chemical_system": "H-Li-N",
            "density": 1.2125857806276341,
            "density_atomic": 0.10242067897021925,
            "volume": 117.16383957471349,
            "volume_molar": 5.87980944917486,
            "formula_full": "Li8 H2 N2",
            "formula_reduced": "Li4HN",
            "formula_anonymous": "ABC4",
            "energy": -44.38068941,
            "energy_per_atom": -3.698390784166667,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -43.30068941,
            "band_gap": 2.0727,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 3.8e-06,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:48.293000Z",
            "spacegroup": 88
        },
        {
            "id": "mp-1220169",
            "created_at": "2022-09-04T14:45:05.314058Z",
            "structure_string": "Pr1 Er3 Mn8\n1.0\n-2.688138 -4.569141 0.027459\n-2.688138 4.569141 -0.027459\n0.000000 0.050416 -8.578074\nPr Er Mn\n1 3 8\ndirect\n0.665689 0.334311 0.562394 Pr\n0.333001 0.666999 0.435044 Er\n0.333652 0.666348 0.061938 Er\n0.666892 0.333108 0.940936 Er\n0.000899 0.999101 0.497319 Mn\n0.000205 0.999795 0.001550 Mn\n0.165056 0.324255 0.757571 Mn\n0.177439 0.822561 0.754073 Mn\n0.675745 0.834944 0.757571 Mn\n0.834585 0.676391 0.243158 Mn\n0.823227 0.176773 0.245287 Mn\n0.323609 0.165415 0.243158 Mn\n",
            "nsites": 12,
            "nelements": 3,
            "elements": [
                "Pr",
                "Er",
                "Mn"
            ],
            "chemical_system": "Er-Mn-Pr",
            "density": 8.528283954091295,
            "density_atomic": 0.05694960043684298,
            "volume": 210.7126284987369,
            "volume_molar": 10.574509239408176,
            "formula_full": "Pr1 Er3 Mn8",
            "formula_reduced": "PrEr3Mn8",
            "formula_anonymous": "AB3C8",
            "energy": -89.91576875,
            "energy_per_atom": -7.492980729166667,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -89.91576875,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 11.2783865,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:53.933000Z",
            "spacegroup": 8
        },
        {
            "id": "mp-1214907",
            "created_at": "2022-09-04T14:45:05.326396Z",
            "structure_string": "As4 C72 F68\n1.0\n9.015037 0.000000 0.000000\n0.000000 11.328418 0.000000\n0.000000 0.000000 18.525281\nAs C F\n4 72 68\ndirect\n0.000000 0.130995 0.250000 As\n0.000000 0.869005 0.750000 As\n0.500000 0.369005 0.750000 As\n0.500000 0.630995 0.250000 As\n0.029894 0.364184 0.313207 C\n0.970106 0.635816 0.686793 C\n0.470106 0.135816 0.813207 C\n0.970106 0.364184 0.186793 C\n0.529894 0.864184 0.186793 C\n0.029894 0.635816 0.813207 C\n0.529894 0.135816 0.686793 C\n0.470106 0.864184 0.313207 C\n0.028206 0.121858 0.583316 C\n0.971794 0.878142 0.416684 C\n0.471794 0.378142 0.083316 C\n0.971794 0.121858 0.916684 C\n0.528206 0.621858 0.916684 C\n0.028206 0.878142 0.083316 C\n0.528206 0.378142 0.416684 C\n0.471794 0.621858 0.583316 C\n0.511600 0.439374 0.145700 C\n0.488400 0.560626 0.854300 C\n0.988400 0.060626 0.645700 C\n0.488400 0.439374 0.354300 C\n0.011600 0.939374 0.354300 C\n0.511600 0.560626 0.645700 C\n0.011600 0.060626 0.854300 C\n0.988400 0.939374 0.145700 C\n0.212020 0.028841 0.056700 C\n0.787980 0.971159 0.943300 C\n0.287980 0.471159 0.556700 C\n0.787980 0.028841 0.443300 C\n0.712020 0.528841 0.443300 C\n0.212020 0.971159 0.556700 C\n0.712020 0.471159 0.943300 C\n0.287980 0.528841 0.056700 C\n0.000000 0.548996 0.250000 C\n0.000000 0.451004 0.750000 C\n0.500000 0.951004 0.750000 C\n0.500000 0.048996 0.250000 C\n0.170566 0.088438 0.119454 C\n0.829434 0.911562 0.880546 C\n0.329434 0.411562 0.619454 C\n0.829434 0.088438 0.380546 C\n0.670566 0.588438 0.380546 C\n0.170566 0.911562 0.619454 C\n0.670566 0.411562 0.880546 C\n0.329434 0.588438 0.119454 C\n0.359280 0.422849 0.039141 C\n0.640720 0.577151 0.960859 C\n0.140720 0.077151 0.539141 C\n0.640720 0.422849 0.460859 C\n0.859280 0.922849 0.460859 C\n0.359280 0.577151 0.539141 C\n0.859280 0.077151 0.960859 C\n0.140720 0.922849 0.039141 C\n0.059230 0.044754 0.164423 C\n0.940770 0.955246 0.835577 C\n0.440770 0.455246 0.664423 C\n0.940770 0.044754 0.335577 C\n0.559230 0.544754 0.335577 C\n0.059230 0.955246 0.664423 C\n0.559230 0.455246 0.835577 C\n0.440770 0.544754 0.164423 C\n0.000000 0.301600 0.250000 C\n0.000000 0.698400 0.750000 C\n0.500000 0.198400 0.750000 C\n0.500000 0.801600 0.250000 C\n0.029473 0.487349 0.313798 C\n0.970527 0.512651 0.686202 C\n0.470527 0.012651 0.813798 C\n0.970527 0.487349 0.186202 C\n0.529473 0.987349 0.186202 C\n0.029473 0.512651 0.813798 C\n0.529473 0.012651 0.686202 C\n0.470527 0.987349 0.313798 C\n0.238198 0.192167 0.134652 F\n0.761802 0.807833 0.865348 F\n0.261802 0.307833 0.634652 F\n0.761802 0.192167 0.365348 F\n0.738198 0.692167 0.365348 F\n0.238198 0.807833 0.634652 F\n0.738198 0.307833 0.865348 F\n0.261802 0.692167 0.134652 F\n0.000000 0.667092 0.250000 F\n0.000000 0.332908 0.750000 F\n0.500000 0.832908 0.750000 F\n0.500000 0.167092 0.250000 F\n0.541640 0.277606 0.065036 F\n0.458360 0.722394 0.934964 F\n0.958360 0.222394 0.565036 F\n0.458360 0.277606 0.434964 F\n0.041640 0.777606 0.434964 F\n0.541640 0.722394 0.565036 F\n0.041640 0.222394 0.934964 F\n0.958360 0.777606 0.065036 F\n0.178340 0.134910 0.478546 F\n0.821660 0.865090 0.521454 F\n0.321660 0.365090 0.978546 F\n0.821660 0.134910 0.021454 F\n0.678340 0.634910 0.021454 F\n0.178340 0.865090 0.978546 F\n0.678340 0.365090 0.521454 F\n0.321660 0.634910 0.478546 F\n0.057720 0.306929 0.375765 F\n0.942280 0.693071 0.624235 F\n0.442280 0.193071 0.875765 F\n0.942280 0.306929 0.124235 F\n0.557720 0.806929 0.124235 F\n0.057720 0.693071 0.875765 F\n0.557720 0.193071 0.624235 F\n0.442280 0.806929 0.375765 F\n0.192399 0.130364 0.282068 F\n0.807601 0.869636 0.717932 F\n0.307601 0.369636 0.782068 F\n0.807601 0.130364 0.217932 F\n0.692399 0.630364 0.217932 F\n0.192399 0.869636 0.782068 F\n0.692399 0.369636 0.717932 F\n0.307601 0.630364 0.282068 F\n0.381096 0.393676 0.311901 F\n0.618904 0.606324 0.688099 F\n0.118904 0.106324 0.811901 F\n0.618904 0.393676 0.188099 F\n0.881096 0.893676 0.188099 F\n0.381096 0.606324 0.811901 F\n0.881096 0.106324 0.688099 F\n0.118904 0.893676 0.311901 F\n0.443259 0.046154 0.375404 F\n0.556741 0.953846 0.624596 F\n0.056741 0.453846 0.875404 F\n0.556741 0.046154 0.124596 F\n0.943259 0.546154 0.124596 F\n0.443259 0.953846 0.875404 F\n0.943259 0.453846 0.624596 F\n0.056741 0.546154 0.375404 F\n0.315730 0.073832 0.012404 F\n0.684270 0.926168 0.987596 F\n0.184270 0.426168 0.512404 F\n0.684270 0.073832 0.487596 F\n0.815730 0.573832 0.487596 F\n0.315730 0.926168 0.512404 F\n0.815730 0.426168 0.987596 F\n0.184270 0.573832 0.012404 F\n",
            "nsites": 144,
            "nelements": 3,
            "elements": [
                "As",
                "C",
                "F"
            ],
            "chemical_system": "As-C-F",
            "density": 2.155943859535933,
            "density_atomic": 0.07611336258478767,
            "volume": 1891.9148374188428,
            "volume_molar": 7.912067678381101,
            "formula_full": "As4 C72 F68",
            "formula_reduced": "AsC18F17",
            "formula_anonymous": "AB17C18",
            "energy": -955.99422941,
            "energy_per_atom": -6.638848815347222,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -924.57822941,
            "band_gap": 3.2096,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0026422,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:51.571000Z",
            "spacegroup": 60
        },
        {
            "id": "mp-755212",
            "created_at": "2022-09-04T14:45:05.330152Z",
            "structure_string": "Li3 Co2 Ni2 O8\n1.0\n5.763359 0.039391 -0.024285\n-0.066897 5.764968 0.026133\n2.809747 2.897489 4.043065\nLi Co Ni O\n3 2 2 8\ndirect\n0.000000 0.500000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.500000 0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Co\n0.000000 0.000000 0.500000 Co\n0.000000 0.500000 0.500000 Ni\n0.500000 0.000000 0.000000 Ni\n0.234202 0.770577 0.021214 O\n0.225920 0.217108 0.024157 O\n0.240753 0.768121 0.477843 O\n0.209975 0.234048 0.529462 O\n0.790025 0.765952 0.470538 O\n0.759247 0.231879 0.522157 O\n0.774080 0.782892 0.975843 O\n0.765798 0.229423 0.978786 O\n",
            "nsites": 15,
            "nelements": 4,
            "elements": [
                "Li",
                "Co",
                "Ni",
                "O"
            ],
            "chemical_system": "Co-Li-Ni-O",
            "density": 4.748515605048662,
            "density_atomic": 0.1116832578360309,
            "volume": 134.3084029839318,
            "volume_molar": 5.39216072013361,
            "formula_full": "Li3 Co2 Ni2 O8",
            "formula_reduced": "Li3Co2(NiO4)2",
            "formula_anonymous": "A2B2C3D8",
            "energy": -92.67457319,
            "energy_per_atom": -6.178304879333334,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -78.82057319,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 5.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:50.988000Z",
            "spacegroup": 12
        },
        {
            "id": "mp-1056920",
            "created_at": "2022-09-04T14:45:05.358259Z",
            "structure_string": "Cs1 I1\n1.0\n4.665212 0.000000 0.000000\n0.000000 4.665212 0.000000\n0.000000 0.000000 4.665212\nCs I\n1 1\ndirect\n0.000000 0.000000 0.000000 Cs\n0.500000 0.500000 0.500000 I\n",
            "nsites": 2,
            "nelements": 2,
            "elements": [
                "Cs",
                "I"
            ],
            "chemical_system": "Cs-I",
            "density": 4.249038611978414,
            "density_atomic": 0.019697714727538895,
            "volume": 101.53462102910083,
            "volume_molar": 30.572788992525066,
            "formula_full": "Cs1 I1",
            "formula_reduced": "CsI",
            "formula_anonymous": "AB",
            "energy": -5.8253591,
            "energy_per_atom": -2.91267955,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -5.4463591,
            "band_gap": 3.6776,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0001373,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:47.255000Z",
            "spacegroup": 221
        },
        {
            "id": "mp-536",
            "created_at": "2022-09-04T14:45:05.493750Z",
            "structure_string": "Th1 Zn4\n1.0\n-2.148517 2.148517 5.150470\n2.148517 -2.148517 5.150470\n2.148517 2.148517 -5.150470\nTh Zn\n1 4\ndirect\n0.000000 0.000000 0.000000 Th\n0.617942 0.617942 0.000000 Zn\n0.750000 0.250000 0.500000 Zn\n0.250000 0.750000 0.500000 Zn\n0.382058 0.382058 0.000000 Zn\n",
            "nsites": 5,
            "nelements": 2,
            "elements": [
                "Th",
                "Zn"
            ],
            "chemical_system": "Th-Zn",
            "density": 8.619954301901288,
            "density_atomic": 0.052575760379992696,
            "volume": 95.10085948091607,
            "volume_molar": 11.454215243821144,
            "formula_full": "Th1 Zn4",
            "formula_reduced": "ThZn4",
            "formula_anonymous": "AB4",
            "energy": -13.88856386,
            "energy_per_atom": -2.777712772,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -13.88856386,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0002458,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:52.402000Z",
            "spacegroup": 139
        },
        {
            "id": "mp-1178564",
            "created_at": "2022-09-04T14:45:05.496616Z",
            "structure_string": "Ag4 Te2 O8\n1.0\n-0.009812 6.509198 5.309254\n3.288013 -0.017981 5.325938\n3.299270 6.527807 -0.030322\nAg Te O\n4 2 8\ndirect\n0.221479 0.228735 0.528985 Ag\n0.528441 0.533780 0.220817 Ag\n0.777826 0.780858 0.470973 Ag\n0.475115 0.472598 0.773579 Ag\n0.127117 0.127049 0.123587 Te\n0.872323 0.878498 0.876393 Te\n0.151820 0.318625 0.256048 O\n0.781059 0.260752 0.309765 O\n0.256993 0.781305 0.150211 O\n0.318327 0.149013 0.776688 O\n0.681531 0.856717 0.223611 O\n0.742163 0.225016 0.850875 O\n0.220646 0.739454 0.685390 O\n0.843682 0.689414 0.747144 O\n",
            "nsites": 14,
            "nelements": 3,
            "elements": [
                "Ag",
                "Te",
                "O"
            ],
            "chemical_system": "Ag-O-Te",
            "density": 5.8909583201209275,
            "density_atomic": 0.060965512722053215,
            "volume": 229.63802607266098,
            "volume_molar": 9.87794654898653,
            "formula_full": "Ag4 Te2 O8",
            "formula_reduced": "Ag2TeO4",
            "formula_anonymous": "AB2C4",
            "energy": -69.52433961999999,
            "energy_per_atom": -4.966024258571428,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -64.02833962,
            "band_gap": 0.0220999999999995,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 4.6e-06,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:48.787000Z",
            "spacegroup": 70
        }
    ]
}