GET /third-parties/MatprojStructure/?format=api&ordering=chemical_system&page=40
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=chemical_system&page=41",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=chemical_system&page=39",
    "results": [
        {
            "id": "mp-567890",
            "created_at": "2022-09-04T14:39:18.659347Z",
            "structure_string": "Ag6 Hg18 As12 Cl18\n1.0\n4.693023 12.584400 0.000000\n-4.693023 12.584400 0.000000\n0.000000 8.459627 12.619035\nAg Hg As Cl\n6 18 12 18\ndirect\n0.655421 0.344579 0.750000 Ag\n0.609095 0.053765 0.274390 Ag\n0.053765 0.609095 0.774390 Ag\n0.344579 0.655421 0.250000 Ag\n0.390905 0.946235 0.725610 Ag\n0.946235 0.390905 0.225610 Ag\n0.334484 0.335643 0.498402 Hg\n0.799681 0.200319 0.250000 Hg\n0.456762 0.880912 0.250773 Hg\n0.167405 0.170199 0.999238 Hg\n0.832595 0.829801 0.000762 Hg\n0.880912 0.456762 0.750773 Hg\n0.543238 0.119088 0.749227 Hg\n0.665516 0.664357 0.501598 Hg\n0.829801 0.832595 0.500762 Hg\n0.000000 0.000000 0.500000 Hg\n0.200319 0.799681 0.750000 Hg\n0.170199 0.167405 0.499238 Hg\n0.119088 0.543238 0.249227 Hg\n0.500000 0.500000 0.500000 Hg\n0.335643 0.334484 0.998402 Hg\n0.500000 0.500000 0.000000 Hg\n0.664357 0.665516 0.001598 Hg\n0.000000 0.000000 0.000000 Hg\n0.126916 0.411026 0.446640 As\n0.873084 0.588974 0.553360 As\n0.069649 0.796850 0.948712 As\n0.588974 0.873084 0.053360 As\n0.456988 0.743769 0.448227 As\n0.256231 0.543012 0.051773 As\n0.203150 0.930351 0.551288 As\n0.543012 0.256231 0.551773 As\n0.743769 0.456988 0.948227 As\n0.411026 0.126916 0.946640 As\n0.796850 0.069649 0.448712 As\n0.930351 0.203150 0.051288 As\n0.617228 0.853051 0.758482 Cl\n0.000000 0.500000 0.000000 Cl\n0.652641 0.499420 0.251325 Cl\n0.103838 0.124844 0.748925 Cl\n0.896162 0.875156 0.251075 Cl\n0.321396 0.801443 0.063100 Cl\n0.678604 0.198557 0.936900 Cl\n0.801443 0.321396 0.563100 Cl\n0.853051 0.617228 0.258482 Cl\n0.499420 0.652641 0.751325 Cl\n0.347359 0.500580 0.748675 Cl\n0.382772 0.146949 0.241518 Cl\n0.500000 0.000000 0.500000 Cl\n0.198557 0.678604 0.436900 Cl\n0.124844 0.103838 0.248925 Cl\n0.500580 0.347359 0.248675 Cl\n0.146949 0.382772 0.741518 Cl\n0.875156 0.896162 0.751075 Cl\n",
            "nsites": 54,
            "nelements": 4,
            "elements": [
                "Ag",
                "Hg",
                "As",
                "Cl"
            ],
            "chemical_system": "Ag-As-Cl-Hg",
            "density": 6.456012730047433,
            "density_atomic": 0.0362286726460396,
            "volume": 1490.5321132681106,
            "volume_molar": 16.62258183963116,
            "formula_full": "Ag6 Hg18 As12 Cl18",
            "formula_reduced": "AgHg3As2Cl3",
            "formula_anonymous": "AB2C3D3",
            "energy": -142.18159086,
            "energy_per_atom": -2.6329924233333335,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -131.12959086,
            "band_gap": 0.8397,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0001702,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:35.327000Z",
            "spacegroup": 15
        },
        {
            "id": "mp-1112480",
            "created_at": "2022-09-04T14:41:32.452680Z",
            "structure_string": "K2 Ag1 As1 Cl6\n1.0\n0.000000 5.199079 5.199079\n5.199079 0.000000 5.199079\n5.199079 5.199079 0.000000\nK Ag As Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 As\n0.758539 0.241461 0.241461 Cl\n0.241461 0.241461 0.758539 Cl\n0.241461 0.758539 0.758539 Cl\n0.241461 0.758539 0.241461 Cl\n0.758539 0.241461 0.758539 Cl\n0.758539 0.758539 0.241461 Cl\n",
            "nsites": 10,
            "nelements": 4,
            "elements": [
                "K",
                "Ag",
                "As",
                "Cl"
            ],
            "chemical_system": "Ag-As-Cl-K",
            "density": 2.7986415057463425,
            "density_atomic": 0.035578755633697175,
            "volume": 281.0666034235568,
            "volume_molar": 16.926226487517567,
            "formula_full": "K2 Ag1 As1 Cl6",
            "formula_reduced": "K2AgAsCl6",
            "formula_anonymous": "ABC2D6",
            "energy": -35.877180669999994,
            "energy_per_atom": -3.5877180669999995,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -32.19318067,
            "band_gap": 1.519,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0017635,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:21.612000Z",
            "spacegroup": 225
        },
        {
            "id": "mp-1111543",
            "created_at": "2022-09-04T14:43:52.652029Z",
            "structure_string": "Na2 Ag1 As1 Cl6\n1.0\n0.000000 5.159066 5.159066\n5.159066 0.000000 5.159066\n5.159066 5.159066 0.000000\nNa Ag As Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 As\n0.757683 0.242317 0.242317 Cl\n0.242317 0.242317 0.757683 Cl\n0.242317 0.757683 0.757683 Cl\n0.242317 0.757683 0.242317 Cl\n0.757683 0.242317 0.757683 Cl\n0.757683 0.757683 0.242317 Cl\n",
            "nsites": 10,
            "nelements": 4,
            "elements": [
                "Na",
                "Ag",
                "As",
                "Cl"
            ],
            "chemical_system": "Ag-As-Cl-Na",
            "density": 2.6694642139274736,
            "density_atomic": 0.03641302445511628,
            "volume": 274.6270091441122,
            "volume_molar": 16.53842505563651,
            "formula_full": "Na2 Ag1 As1 Cl6",
            "formula_reduced": "Na2AgAsCl6",
            "formula_anonymous": "ABC2D6",
            "energy": -34.40309606,
            "energy_per_atom": -3.4403096060000005,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -30.71909606,
            "band_gap": 1.4895,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 2.17e-05,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:23.723000Z",
            "spacegroup": 225
        },
        {
            "id": "mp-1111655",
            "created_at": "2022-09-04T14:41:02.360066Z",
            "structure_string": "Rb2 Ag1 As1 Cl6\n1.0\n0.000000 5.232068 5.232068\n5.232068 0.000000 5.232068\n5.232068 5.232068 0.000000\nRb Ag As Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 As\n0.759162 0.240838 0.240838 Cl\n0.240838 0.240838 0.759162 Cl\n0.240838 0.759162 0.759162 Cl\n0.240838 0.759162 0.240838 Cl\n0.759162 0.240838 0.759162 Cl\n0.759162 0.759162 0.240838 Cl\n",
            "nsites": 10,
            "nelements": 4,
            "elements": [
                "Rb",
                "Ag",
                "As",
                "Cl"
            ],
            "chemical_system": "Ag-As-Cl-Rb",
            "density": 3.283639591315527,
            "density_atomic": 0.03491000130082658,
            "volume": 286.45086300134926,
            "volume_molar": 17.250474178176013,
            "formula_full": "Rb2 Ag1 As1 Cl6",
            "formula_reduced": "Rb2AgAsCl6",
            "formula_anonymous": "ABC2D6",
            "energy": -35.92372869,
            "energy_per_atom": -3.5923728689999996,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -32.23972869,
            "band_gap": 1.2952,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0001365,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:09.835000Z",
            "spacegroup": 225
        },
        {
            "id": "mp-1183016",
            "created_at": "2022-09-04T14:43:54.555611Z",
            "structure_string": "Ag6 As4 C6 Se10 N2\n1.0\n10.048426 0.139487 -3.317974\n-0.495832 11.961711 -3.166597\n-0.008065 -0.057282 6.878102\nAg As C Se N\n6 4 6 10 2\ndirect\n0.189483 0.813433 0.703331 Ag\n0.810517 0.186567 0.296669 Ag\n0.380749 0.061436 0.046706 Ag\n0.619251 0.938564 0.953294 Ag\n0.068450 0.815186 0.157360 Ag\n0.931550 0.184814 0.842640 Ag\n0.412592 0.886158 0.398586 As\n0.587408 0.113842 0.601414 As\n0.808502 0.914193 0.634695 As\n0.191498 0.085807 0.365305 As\n0.678000 0.442212 0.211472 C\n0.322000 0.557788 0.788528 C\n0.750693 0.623159 0.181936 C\n0.249307 0.376841 0.818064 C\n0.785901 0.716533 0.185127 C\n0.214099 0.283467 0.814873 C\n0.272532 0.733209 0.377676 Se\n0.727468 0.266791 0.622324 Se\n0.962278 0.778546 0.750419 Se\n0.037722 0.221454 0.249581 Se\n0.414557 0.845817 0.033903 Se\n0.585443 0.154183 0.966097 Se\n0.381410 0.205907 0.423783 Se\n0.618590 0.794093 0.576217 Se\n0.170411 0.136017 0.756468 Se\n0.829589 0.863983 0.243532 Se\n0.713514 0.526298 0.187304 N\n0.286486 0.473702 0.812696 N\n",
            "nsites": 28,
            "nelements": 5,
            "elements": [
                "Ag",
                "As",
                "C",
                "Se",
                "N"
            ],
            "chemical_system": "Ag-As-C-N-Se",
            "density": 3.6967641259834223,
            "density_atomic": 0.03394082795418941,
            "volume": 824.9651433899061,
            "volume_molar": 17.743057912812848,
            "formula_full": "Ag6 As4 C6 Se10 N2",
            "formula_reduced": "Ag3As2C3Se5N",
            "formula_anonymous": "AB2C3D3E5",
            "energy": -138.64747898000002,
            "energy_per_atom": -4.951695677857144,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -133.20547898,
            "band_gap": 1.1289,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0013232,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:23.021000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-1203651",
            "created_at": "2022-09-04T14:39:47.432535Z",
            "structure_string": "Co6 Ag2 As6 O24\n1.0\n6.386523 5.968945 0.000000\n-6.386523 5.968945 0.000000\n0.000000 2.678266 6.240106\nCo Ag As O\n6 2 6 24\ndirect\n0.724066 0.275934 0.750000 Co\n0.275934 0.724066 0.250000 Co\n0.053895 0.376043 0.874924 Co\n0.623957 0.946105 0.625076 Co\n0.946105 0.623957 0.125076 Co\n0.376043 0.053895 0.374924 Co\n0.012715 0.987285 0.750000 Ag\n0.987285 0.012715 0.250000 Ag\n0.304856 0.695144 0.750000 As\n0.695144 0.304856 0.250000 As\n0.878433 0.653581 0.618098 As\n0.346419 0.121567 0.881902 As\n0.121567 0.346419 0.381902 As\n0.653581 0.878433 0.118098 As\n0.150811 0.164064 0.900220 O\n0.835936 0.849189 0.599780 O\n0.849189 0.835936 0.099780 O\n0.164064 0.150811 0.400220 O\n0.719951 0.516208 0.665110 O\n0.483792 0.280049 0.834890 O\n0.280049 0.483792 0.334890 O\n0.516208 0.719951 0.165110 O\n0.261698 0.495248 0.766980 O\n0.504752 0.738302 0.733020 O\n0.738302 0.504752 0.233020 O\n0.495248 0.261698 0.266980 O\n0.981458 0.325617 0.630889 O\n0.674383 0.018542 0.869111 O\n0.018542 0.674383 0.369111 O\n0.325617 0.981458 0.130889 O\n0.974868 0.602135 0.818399 O\n0.397865 0.025132 0.681601 O\n0.025132 0.397865 0.181601 O\n0.602135 0.974868 0.318399 O\n0.185668 0.727099 0.981589 O\n0.272901 0.814332 0.518411 O\n0.814332 0.272901 0.018411 O\n0.727099 0.185668 0.481589 O\n",
            "nsites": 38,
            "nelements": 4,
            "elements": [
                "Co",
                "Ag",
                "As",
                "O"
            ],
            "chemical_system": "Ag-As-Co-O",
            "density": 4.8963961963508735,
            "density_atomic": 0.07987292266383084,
            "volume": 475.75572212293275,
            "volume_molar": 7.53965243684144,
            "formula_full": "Co6 Ag2 As6 O24",
            "formula_reduced": "Co3Ag(AsO4)3",
            "formula_anonymous": "AB3C3D12",
            "energy": -247.28221426,
            "energy_per_atom": -6.507426691052632,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -220.96621426,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 13.9998424,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:25.988000Z",
            "spacegroup": 15
        },
        {
            "id": "mp-1114305",
            "created_at": "2022-09-04T14:42:01.489507Z",
            "structure_string": "Cs2 Ag1 As1 F6\n1.0\n6.502002 -0.000000 -0.000000\n3.251001 5.630899 -0.000000\n3.251001 1.876966 5.308862\nCs Ag As F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Cs\n0.750000 0.750000 0.750000 Cs\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 As\n0.226721 0.773279 0.226721 F\n0.773279 0.773279 0.226721 F\n0.773279 0.226721 0.773279 F\n0.773279 0.226721 0.226721 F\n0.226721 0.773279 0.773279 F\n0.226721 0.226721 0.773279 F\n",
            "nsites": 10,
            "nelements": 4,
            "elements": [
                "Cs",
                "Ag",
                "As",
                "F"
            ],
            "chemical_system": "Ag-As-Cs-F",
            "density": 4.806353397312602,
            "density_atomic": 0.05144861965929617,
            "volume": 194.36867434388236,
            "volume_molar": 11.705155162334604,
            "formula_full": "Cs2 Ag1 As1 F6",
            "formula_reduced": "Cs2AgAsF6",
            "formula_anonymous": "ABC2D6",
            "energy": -45.14695167,
            "energy_per_atom": -4.514695167,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -42.37495167,
            "band_gap": 2.4428,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.000277,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:37.197000Z",
            "spacegroup": 225
        },
        {
            "id": "mp-866615",
            "created_at": "2022-09-04T14:42:09.893384Z",
            "structure_string": "Cs4 Ag8 As4 S12\n1.0\n8.521918 0.000000 0.000000\n0.000000 9.586371 0.000000\n0.000000 3.209086 9.729124\nCs Ag As S\n4 8 4 12\ndirect\n0.934531 0.246891 0.084008 Cs\n0.434531 0.253109 0.915992 Cs\n0.065469 0.753109 0.915992 Cs\n0.565469 0.746891 0.084008 Cs\n0.759852 0.933618 0.444493 Ag\n0.259852 0.566382 0.555507 Ag\n0.240148 0.066382 0.555507 Ag\n0.740148 0.433618 0.444493 Ag\n0.974342 0.216763 0.673436 Ag\n0.474342 0.283237 0.326564 Ag\n0.025658 0.783237 0.326564 Ag\n0.525658 0.716763 0.673436 Ag\n0.138165 0.444089 0.348405 As\n0.638165 0.055911 0.651595 As\n0.861835 0.555911 0.651595 As\n0.361835 0.944089 0.348405 As\n0.021083 0.213310 0.432419 S\n0.521083 0.286690 0.567581 S\n0.978917 0.786690 0.567581 S\n0.478917 0.713310 0.432419 S\n0.776183 0.061786 0.836727 S\n0.276183 0.438214 0.163273 S\n0.223817 0.938214 0.163273 S\n0.723817 0.561786 0.836727 S\n0.911284 0.568784 0.253505 S\n0.411284 0.931216 0.746495 S\n0.088716 0.431216 0.746495 S\n0.588716 0.068784 0.253505 S\n",
            "nsites": 28,
            "nelements": 4,
            "elements": [
                "Cs",
                "Ag",
                "As",
                "S"
            ],
            "chemical_system": "Ag-As-Cs-S",
            "density": 4.343555017706292,
            "density_atomic": 0.03522838299251472,
            "volume": 794.8136593708942,
            "volume_molar": 17.09457048107935,
            "formula_full": "Cs4 Ag8 As4 S12",
            "formula_reduced": "CsAg2AsS3",
            "formula_anonymous": "ABC2D3",
            "energy": -112.93169648,
            "energy_per_atom": -4.0332748742857145,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -106.89569648,
            "band_gap": 1.6273000000000002,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0018845,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:40.316000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-561622",
            "created_at": "2022-09-04T14:39:19.579545Z",
            "structure_string": "Cs4 Ag2 As2 S8\n1.0\n6.934447 0.000000 0.000000\n2.378582 6.957983 0.000000\n3.043192 2.431964 10.653609\nCs Ag As S\n4 2 2 8\ndirect\n0.762062 0.513828 0.188613 Cs\n0.269952 0.239675 0.403741 Cs\n0.237938 0.486172 0.811387 Cs\n0.730048 0.760325 0.596259 Cs\n0.638444 0.082016 0.078343 Ag\n0.361556 0.917984 0.921657 Ag\n0.140007 0.865304 0.231058 As\n0.859993 0.134696 0.768942 As\n0.794910 0.949340 0.271177 S\n0.254434 0.742480 0.406068 S\n0.258369 0.645950 0.113706 S\n0.741631 0.354050 0.886294 S\n0.757032 0.867616 0.879576 S\n0.205090 0.050660 0.728823 S\n0.745566 0.257520 0.593932 S\n0.242968 0.132384 0.120424 S\n",
            "nsites": 16,
            "nelements": 4,
            "elements": [
                "Cs",
                "Ag",
                "As",
                "S"
            ],
            "chemical_system": "Ag-As-Cs-S",
            "density": 3.7269888928444006,
            "density_atomic": 0.031126338242243583,
            "volume": 514.034123624775,
            "volume_molar": 19.347411549447727,
            "formula_full": "Cs4 Ag2 As2 S8",
            "formula_reduced": "Cs2AgAsS4",
            "formula_anonymous": "ABC2D4",
            "energy": -65.83098353999999,
            "energy_per_atom": -4.1144364712499994,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -61.80698354,
            "band_gap": 1.5615,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0008861,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:26.214000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-1199633",
            "created_at": "2022-09-04T14:46:01.379517Z",
            "structure_string": "Cs12 Ag4 As16 Se32\n1.0\n4.476323 12.900630 0.000000\n-4.476323 12.900630 0.000000\n0.000000 10.664610 20.571267\nCs Ag As Se\n12 4 16 32\ndirect\n0.000000 0.500000 0.500000 Cs\n0.500000 0.000000 0.000000 Cs\n0.446103 0.159661 0.229861 Cs\n0.840339 0.553897 0.270139 Cs\n0.553897 0.840339 0.770139 Cs\n0.159661 0.446103 0.729861 Cs\n0.748934 0.392012 0.505451 Cs\n0.607988 0.251066 0.994549 Cs\n0.251066 0.607988 0.494549 Cs\n0.392012 0.748934 0.005451 Cs\n0.711329 0.288671 0.250000 Cs\n0.288671 0.711329 0.750000 Cs\n0.410728 0.095803 0.412074 Ag\n0.904197 0.589272 0.087926 Ag\n0.589272 0.904197 0.587926 Ag\n0.095803 0.410728 0.912074 Ag\n0.038883 0.690559 0.116463 As\n0.309441 0.961117 0.383537 As\n0.961117 0.309441 0.883537 As\n0.690559 0.038883 0.616463 As\n0.821048 0.873287 0.317994 As\n0.126713 0.178952 0.182006 As\n0.178952 0.126713 0.682006 As\n0.873287 0.821048 0.817994 As\n0.634510 0.052019 0.468040 As\n0.947981 0.365490 0.031960 As\n0.365490 0.947981 0.531960 As\n0.052019 0.634510 0.968040 As\n0.199170 0.702679 0.200734 As\n0.297321 0.800830 0.299266 As\n0.800830 0.297321 0.799266 As\n0.702679 0.199170 0.700734 As\n0.010437 0.887719 0.122317 Se\n0.112281 0.989563 0.377683 Se\n0.989563 0.112281 0.877683 Se\n0.887719 0.010437 0.622317 Se\n0.151152 0.231164 0.382964 Se\n0.768836 0.848848 0.117036 Se\n0.848848 0.768836 0.617036 Se\n0.231164 0.151152 0.882964 Se\n0.160454 0.682178 0.000091 Se\n0.317822 0.839546 0.499909 Se\n0.839546 0.317822 0.999909 Se\n0.682178 0.160454 0.500091 Se\n0.435330 0.274987 0.401206 Se\n0.725013 0.564670 0.098794 Se\n0.564670 0.725013 0.598794 Se\n0.274987 0.435330 0.901206 Se\n0.896196 0.888692 0.391618 Se\n0.111308 0.103804 0.108382 Se\n0.103804 0.111308 0.608382 Se\n0.888692 0.896196 0.891618 Se\n0.691072 0.798298 0.382886 Se\n0.201702 0.308928 0.117114 Se\n0.308928 0.201702 0.617114 Se\n0.798298 0.691072 0.882886 Se\n0.084139 0.611650 0.289067 Se\n0.388350 0.915861 0.210933 Se\n0.915861 0.388350 0.710933 Se\n0.611650 0.084139 0.789067 Se\n0.428051 0.471118 0.153719 Se\n0.528882 0.571949 0.346281 Se\n0.571949 0.528882 0.846281 Se\n0.471118 0.428051 0.653719 Se\n",
            "nsites": 64,
            "nelements": 4,
            "elements": [
                "Cs",
                "Ag",
                "As",
                "Se"
            ],
            "chemical_system": "Ag-As-Cs-Se",
            "density": 4.020034588575883,
            "density_atomic": 0.026937457431213934,
            "volume": 2375.8738241508877,
            "volume_molar": 22.356010307868964,
            "formula_full": "Cs12 Ag4 As16 Se32",
            "formula_reduced": "Cs3Ag(AsSe2)4",
            "formula_anonymous": "AB3C4D8",
            "energy": -256.85865221,
            "energy_per_atom": -4.01341644078125,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -241.75465221,
            "band_gap": 1.6042999999999998,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.1674885,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:18.645000Z",
            "spacegroup": 15
        },
        {
            "id": "mp-532348",
            "created_at": "2022-09-04T14:42:44.895755Z",
            "structure_string": "Cu58 Ag24 As28\n1.0\n11.869925 -0.000206 -0.003862\n-0.000204 11.866728 -0.014881\n-0.003855 -0.014884 11.845389\nAg As Cu\n24 28 58\ndirect\n0.002640 0.998302 0.821594 Ag\n0.998265 0.821420 0.002668 Ag\n0.004123 0.680524 0.495555 Ag\n0.178472 0.997888 0.998605 Ag\n0.182321 0.501619 0.498217 Ag\n0.320060 0.499435 0.000308 Ag\n0.318267 0.003762 0.504768 Ag\n0.499660 0.499748 0.820315 Ag\n0.497964 0.823476 0.501382 Ag\n0.498114 0.181230 0.501776 Ag\n0.499636 0.500213 0.179600 Ag\n0.499296 0.677968 0.000391 Ag\n0.498226 0.001051 0.323866 Ag\n0.498907 0.320651 1.000412 Ag\n0.494613 0.003479 0.680628 Ag\n0.677550 0.498999 0.998931 Ag\n0.675221 0.001299 0.501200 Ag\n0.824967 0.501665 0.498443 Ag\n0.823195 0.001167 0.999006 Ag\n0.001579 0.176596 0.999809 Ag\n0.001767 0.323063 0.498381 Ag\n0.004780 0.503510 0.319304 Ag\n0.001556 0.501180 0.675977 Ag\n0.999136 0.998495 0.178601 Ag\n0.001159 0.999635 0.499958 As\n0.991569 0.239871 0.757880 As\n0.998893 0.749717 0.250139 As\n0.010423 0.759672 0.759893 As\n0.243198 0.241196 0.009824 As\n0.239558 0.008978 0.242006 As\n0.251429 0.998077 0.748560 As\n0.239460 0.758075 0.990774 As\n0.257532 0.241479 0.509886 As\n0.240765 0.508423 0.257964 As\n0.250614 0.496734 0.749516 As\n0.241060 0.742473 0.490211 As\n0.500433 0.500326 0.500067 As\n0.497311 -0.000448 0.999864 As\n0.501032 0.250729 0.248024 As\n0.490451 0.241407 0.742641 As\n0.496409 0.750017 0.250813 As\n0.500868 0.752056 0.750430 As\n0.751274 0.249964 0.497365 As\n0.751101 0.498168 0.248542 As\n0.750112 0.501115 0.751700 As\n0.750457 0.751835 0.502558 As\n0.758228 0.241629 0.988235 As\n0.759255 0.989871 0.240350 As\n0.759471 0.010647 0.759794 As\n0.759558 0.759821 0.011017 As\n0.011314 0.241693 0.241463 As\n0.001161 0.499803 0.000070 As\n0.119049 0.120329 0.379509 Cu\n0.120263 0.378355 0.121243 Cu\n0.125060 0.116734 0.619680 Cu\n0.116614 0.619159 0.125581 Cu\n0.118926 0.379610 0.880868 Cu\n0.116362 0.874799 0.380625 Cu\n0.119061 0.621376 0.880115 Cu\n0.119335 0.882174 0.624921 Cu\n0.172574 0.329125 0.338590 Cu\n0.159660 0.327192 0.670895 Cu\n0.169107 0.668525 0.667857 Cu\n0.171009 0.167446 0.830307 Cu\n0.168425 0.829390 0.170626 Cu\n0.326613 0.670345 0.159946 Cu\n0.331879 0.667550 0.831750 Cu\n0.327203 0.828179 0.662036 Cu\n0.331301 0.168705 0.332441 Cu\n0.328828 0.338946 0.171715 Cu\n0.329054 0.327130 0.840341 Cu\n0.327042 0.841543 0.330246 Cu\n0.380772 0.381546 0.380887 Cu\n0.378819 0.376907 0.621771 Cu\n0.376676 0.622077 0.378275 Cu\n0.381316 0.620687 0.618386 Cu\n0.377441 0.120809 0.120591 Cu\n0.380471 0.116854 0.874836 Cu\n0.379387 0.880888 0.119505 Cu\n0.373086 0.881144 0.878451 Cu\n0.618832 0.118147 0.117672 Cu\n0.620094 0.119300 0.880943 Cu\n0.620768 0.880995 0.119265 Cu\n0.619093 0.882100 0.882585 Cu\n0.622986 0.378756 0.377745 Cu\n0.619094 0.380880 0.619565 Cu\n0.620034 0.619228 0.381074 Cu\n0.622632 0.622780 0.622078 Cu\n0.671668 0.159412 0.326994 Cu\n0.672557 0.327381 0.158684 Cu\n0.667876 0.168898 0.668272 Cu\n0.660295 0.329070 0.828571 Cu\n0.667283 0.667895 0.168320 Cu\n0.667092 0.832427 0.332605 Cu\n0.671755 0.672854 0.840999 Cu\n0.671196 0.842263 0.672809 Cu\n0.831634 0.169590 0.168156 Cu\n0.830485 0.830635 0.830775 Cu\n0.842027 0.328555 0.327092 Cu\n0.833031 0.332564 0.667154 Cu\n0.831292 0.669582 0.331026 Cu\n0.841745 0.671848 0.671870 Cu\n0.881831 0.118336 0.380730 Cu\n0.880568 0.118916 0.620952 Cu\n0.881728 0.380600 0.117105 Cu\n0.879235 0.377967 0.880088 Cu\n0.882461 0.625260 0.119209 Cu\n0.882308 0.880872 0.374994 Cu\n0.881496 0.618912 0.881983 Cu\n0.881162 0.882748 0.619409 Cu\n",
            "nsites": 110,
            "nelements": 3,
            "elements": [
                "Ag",
                "As",
                "Cu"
            ],
            "chemical_system": "Ag-As-Cu",
            "density": 8.332336824195904,
            "density_atomic": 0.06592727502052445,
            "volume": 1668.505181895579,
            "volume_molar": 9.134520967422345,
            "formula_full": "Cu58 Ag24 As28",
            "formula_reduced": "Cu29(Ag6As7)2",
            "formula_anonymous": "A12B14C29",
            "energy": -431.67689202,
            "energy_per_atom": -3.924335382,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -431.67689202,
            "band_gap": 0.1978999999999997,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:49.417000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-1229314",
            "created_at": "2022-09-04T14:47:19.566193Z",
            "structure_string": "Cu1 Ag64 Hg3 As16 S60\n1.0\n-13.178807 -7.631501 0.152108\n-13.177100 7.628397 0.122689\n0.038187 0.030326 -15.983567\nCu Ag Hg As S\n1 64 3 16 60\ndirect\n0.018885 0.231243 0.498092 Cu\n0.658196 0.489347 0.501718 Ag\n0.511832 0.343108 0.497968 Ag\n0.923648 0.414194 0.909697 Ag\n0.582999 0.077899 0.089243 Ag\n0.956435 0.606056 0.916196 Ag\n0.393982 0.043730 0.083867 Ag\n0.486124 0.746405 0.305136 Ag\n0.253287 0.514279 0.694889 Ag\n0.109721 0.380321 0.504000 Ag\n0.613020 0.885419 0.499602 Ag\n0.561478 0.709229 0.695973 Ag\n0.290776 0.438049 0.304755 Ag\n0.754213 0.716540 0.697061 Ag\n0.281640 0.246569 0.302956 Ag\n0.613527 0.538189 0.085675 Ag\n0.461613 0.387418 0.914577 Ag\n0.109144 0.043436 0.088250 Ag\n0.958988 0.889897 0.912982 Ag\n0.430748 0.924144 0.916129 Ag\n0.075703 0.568567 0.083710 Ag\n0.256546 0.004065 0.713564 Ag\n0.999537 0.741106 0.284093 Ag\n0.791115 0.244305 0.303885 Ag\n0.758665 0.210972 0.698718 Ag\n0.237331 0.764639 0.500995 Ag\n0.804845 0.691336 0.499726 Ag\n0.301072 0.196693 0.498367 Ag\n0.590940 0.354349 0.083859 Ag\n0.645147 0.410153 0.916584 Ag\n0.727514 0.275462 0.499764 Ag\n0.922728 0.090263 0.495874 Ag\n0.289541 0.744278 0.307751 Ag\n0.255706 0.710373 0.692629 Ag\n0.282816 0.952350 0.289650 Ag\n0.048167 0.715659 0.710123 Ag\n0.429781 0.570424 0.500044 Ag\n0.428985 0.670501 0.904149 Ag\n0.329579 0.570868 0.095536 Ag\n0.251038 0.212057 0.692198 Ag\n0.785522 0.746695 0.304067 Ag\n0.061486 0.207769 0.686126 Ag\n0.794250 0.935430 0.307871 Ag\n0.790822 0.442874 0.296918 Ag\n0.552623 0.212858 0.707574 Ag\n0.115664 0.286938 0.097798 Ag\n0.712622 0.883739 0.902800 Ag\n0.380533 0.980419 0.500736 Ag\n0.022550 0.612717 0.499777 Ag\n0.440564 0.115960 0.916116 Ag\n0.884521 0.557396 0.084044 Ag\n0.986130 0.245768 0.313239 Ag\n0.751967 0.017370 0.692757 Ag\n0.147353 0.992379 0.503668 Ag\n0.015806 0.855082 0.498740 Ag\n0.594953 0.808301 0.093468 Ag\n0.191966 0.403855 0.906104 Ag\n0.930992 0.166260 0.903072 Ag\n0.834406 0.070188 0.096206 Ag\n0.888618 0.467551 0.495861 Ag\n0.521864 0.112583 0.501571 Ag\n0.758887 0.504318 0.710091 Ag\n0.494637 0.242789 0.290570 Ag\n0.088789 0.852283 0.084852 Ag\n0.148044 0.911894 0.914937 Ag\n0.771590 0.980833 0.500948 Hg\n0.516795 0.734493 0.499577 Hg\n0.264539 0.481791 0.500791 Hg\n0.862028 0.306623 0.077735 As\n0.693505 0.139051 0.924909 As\n0.511005 0.987947 0.288889 As\n0.011743 0.488755 0.711646 As\n0.175693 0.162378 0.922426 As\n0.838047 0.823452 0.075317 As\n0.528960 0.471914 0.289400 As\n0.528987 0.470819 0.710674 As\n0.679930 0.655466 0.925608 As\n0.343889 0.320671 0.074644 As\n0.356206 0.803262 0.075919 As\n0.197184 0.643447 0.924058 As\n0.013572 0.487642 0.288220 As\n0.511787 0.986939 0.711404 As\n0.025246 0.975054 0.711538 As\n0.026218 0.973473 0.287741 As\n0.290318 0.962059 0.132942 S\n0.037910 0.709894 0.867186 S\n0.873780 0.056404 0.354408 S\n0.943423 0.126923 0.644381 S\n0.263847 0.749238 0.149319 S\n0.250260 0.736679 0.850695 S\n0.249754 0.000234 0.871236 S\n0.000211 0.749894 0.127277 S\n0.557435 0.955517 0.998088 S\n0.044638 0.441901 0.001621 S\n0.176537 0.905249 0.643736 S\n0.095214 0.822624 0.356327 S\n0.007359 0.223381 0.155701 S\n0.776659 0.993272 0.848339 S\n0.607984 0.547885 0.353720 S\n0.452233 0.392682 0.645753 S\n0.684157 0.641892 0.566697 S\n0.358384 0.314646 0.434286 S\n0.986366 0.014420 0.999991 S\n0.431014 0.913332 0.646037 S\n0.087393 0.568183 0.353659 S\n0.267054 0.219927 0.852673 S\n0.780311 0.732152 0.145012 S\n0.031928 0.236002 0.841957 S\n0.763908 0.968041 0.154050 S\n0.594733 0.834840 0.354454 S\n0.164716 0.405367 0.646184 S\n0.791369 0.463470 0.137928 S\n0.535969 0.209039 0.865021 S\n0.172363 0.151402 0.555897 S\n0.858807 0.812560 0.435467 S\n0.933625 0.413415 0.644829 S\n0.586161 0.066675 0.355577 S\n0.767294 0.250100 0.144603 S\n0.749568 0.233503 0.857120 S\n0.376574 0.553372 0.355609 S\n0.446541 0.623664 0.644620 S\n0.862271 0.557590 0.356340 S\n0.441644 0.138281 0.643623 S\n0.600192 0.320644 0.357616 S\n0.679700 0.400389 0.642429 S\n0.360078 0.057411 0.356696 S\n0.942600 0.639609 0.642727 S\n0.349186 0.823914 0.433421 S\n0.177735 0.650172 0.566170 S\n0.532537 0.741908 0.850463 S\n0.258153 0.467459 0.149901 S\n0.742849 0.498529 0.866438 S\n0.501363 0.257468 0.133861 S\n0.482519 0.517598 0.000178 S\n0.777414 0.705731 0.855232 S\n0.294469 0.222375 0.144924 S\n0.106204 0.046633 0.354525 S\n0.952716 0.893584 0.645526 S\n0.663920 0.904313 0.644434 S\n0.095276 0.336157 0.355942 S\n0.865479 0.310055 0.441148 S\n0.678820 0.148942 0.565673 S\n0.505827 0.722260 0.148423 S\n0.277303 0.494260 0.851519 S\n",
            "nsites": 144,
            "nelements": 5,
            "elements": [
                "Cu",
                "Ag",
                "Hg",
                "As",
                "S"
            ],
            "chemical_system": "Ag-As-Cu-Hg-S",
            "density": 5.523672412815071,
            "density_atomic": 0.044802432721654364,
            "volume": 3214.1111821903473,
            "volume_molar": 13.441548581555747,
            "formula_full": "Cu1 Ag64 Hg3 As16 S60",
            "formula_reduced": "CuAg64Hg3(As4S15)4",
            "formula_anonymous": "AB3C16D60E64",
            "energy": -552.21430172,
            "energy_per_atom": -3.8348215397222223,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -522.03430172,
            "band_gap": 1.2277,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 3.4e-05,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:38:04.261000Z",
            "spacegroup": 1
        }
    ]
}