GET /third-parties/MatprojStructure/?format=api&ordering=-is_theoretical&page=12151
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=-is_theoretical&page=12152",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-is_theoretical&page=12150",
    "results": [
        {
            "id": "mp-1077267",
            "created_at": "2022-09-04T14:48:29.634043Z",
            "structure_string": "Er2 Si4\n1.0\n-1.967918 1.967918 7.359558\n1.967918 -1.967918 7.359558\n1.967918 1.967918 -7.359558\nEr Si\n2 4\ndirect\n0.750000 0.250000 0.500000 Er\n0.000000 0.000000 0.000000 Er\n0.167953 0.667953 0.500000 Si\n0.582047 0.582047 0.000000 Si\n0.332047 0.832047 0.500000 Si\n0.417953 0.417953 0.000000 Si\n",
            "nsites": 6,
            "nelements": 2,
            "elements": [
                "Er",
                "Si"
            ],
            "chemical_system": "Er-Si",
            "density": 6.508709057644425,
            "density_atomic": 0.05262904998151606,
            "volume": 114.0054780032562,
            "volume_molar": 11.442617265778209,
            "formula_full": "Er2 Si4",
            "formula_reduced": "ErSi2",
            "formula_anonymous": "AB2",
            "energy": -33.57778735,
            "energy_per_atom": -5.596297891666667,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -33.86178735,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0032652,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:39:49.874000Z",
            "spacegroup": 141
        },
        {
            "id": "mp-704417",
            "created_at": "2022-09-04T14:48:29.646770Z",
            "structure_string": "Rb28 U32 V8 Cl4 O128\n1.0\n11.914070 0.000000 0.000000\n0.000000 14.446478 0.000000\n0.000000 0.000000 21.602993\nRb U V Cl O\n28 32 8 4 128\ndirect\n0.921674 0.523337 0.353399 Rb\n0.755905 0.980463 0.976065 Rb\n0.578326 0.023337 0.353399 Rb\n0.045432 0.971884 0.846540 Rb\n0.045432 0.971884 0.653460 Rb\n0.244095 0.019537 0.476065 Rb\n0.755905 0.980463 0.523935 Rb\n0.954568 0.028116 0.346540 Rb\n0.744095 0.480463 0.523935 Rb\n0.954568 0.028116 0.153460 Rb\n0.578326 0.023337 0.146601 Rb\n0.454568 0.471884 0.846540 Rb\n0.255905 0.519537 0.476065 Rb\n0.421674 0.976663 0.853399 Rb\n0.078326 0.476663 0.646601 Rb\n0.764475 0.368803 0.750000 Rb\n0.545432 0.528116 0.346540 Rb\n0.235525 0.631197 0.250000 Rb\n0.921674 0.523337 0.146601 Rb\n0.735525 0.868803 0.750000 Rb\n0.244095 0.019537 0.023935 Rb\n0.078326 0.476663 0.853399 Rb\n0.421674 0.976663 0.646601 Rb\n0.264475 0.131197 0.250000 Rb\n0.454568 0.471884 0.653460 Rb\n0.255905 0.519537 0.023935 Rb\n0.545432 0.528116 0.153460 Rb\n0.744095 0.480463 0.976065 Rb\n0.481107 0.222429 0.750000 U\n0.542574 0.728620 0.575799 U\n0.451660 0.730319 0.750000 U\n0.930197 0.721133 0.576471 U\n0.457426 0.271380 0.424201 U\n0.548340 0.269681 0.250000 U\n0.042574 0.771380 0.424201 U\n0.957426 0.228620 0.924201 U\n0.957426 0.228620 0.575799 U\n0.018893 0.722429 0.750000 U\n0.736044 0.748925 0.405874 U\n0.930197 0.721133 0.923529 U\n0.736044 0.748925 0.094126 U\n0.763956 0.248925 0.094126 U\n0.763956 0.248925 0.405874 U\n0.981107 0.277571 0.250000 U\n0.542574 0.728620 0.924201 U\n0.518893 0.777571 0.250000 U\n0.430197 0.778867 0.423529 U\n0.042574 0.771380 0.075799 U\n0.263956 0.251075 0.594126 U\n0.951660 0.769681 0.250000 U\n0.569803 0.221133 0.576471 U\n0.236044 0.751075 0.905874 U\n0.048340 0.230319 0.750000 U\n0.069803 0.278867 0.076471 U\n0.430197 0.778867 0.076471 U\n0.236044 0.751075 0.594126 U\n0.569803 0.221133 0.923529 U\n0.069803 0.278867 0.423529 U\n0.263956 0.251075 0.905874 U\n0.457426 0.271380 0.075799 U\n0.766832 0.133070 0.662059 V\n0.233168 0.866930 0.337941 V\n0.766832 0.133070 0.837941 V\n0.233168 0.866930 0.162059 V\n0.733168 0.633070 0.837941 V\n0.266832 0.366930 0.337941 V\n0.733168 0.633070 0.662059 V\n0.266832 0.366930 0.162059 V\n0.733832 0.680260 0.250000 Cl\n0.233832 0.819740 0.750000 Cl\n0.766168 0.180260 0.250000 Cl\n0.266168 0.319740 0.750000 Cl\n0.391367 0.309994 0.185551 O\n0.413926 0.150436 0.089729 O\n0.760577 0.377052 0.408473 O\n0.764767 0.167153 0.916604 O\n0.260577 0.122948 0.908473 O\n0.225141 0.981410 0.330890 O\n0.108633 0.809994 0.314449 O\n0.380588 0.762187 0.524983 O\n0.225141 0.981410 0.169110 O\n0.608981 0.343075 0.590317 O\n0.862388 0.682339 0.685761 O\n0.264767 0.332847 0.416604 O\n0.119412 0.262187 0.975017 O\n0.091641 0.754831 0.525305 O\n0.928334 0.262596 0.149925 O\n0.108981 0.156925 0.409683 O\n0.091641 0.754831 0.974695 O\n0.774859 0.018590 0.669110 O\n0.000251 0.647822 0.250000 O\n0.468971 0.656088 0.250000 O\n0.511155 0.604518 0.935308 O\n0.541373 0.096403 0.933858 O\n0.362388 0.817661 0.185761 O\n0.391019 0.656925 0.409683 O\n0.571666 0.762596 0.149925 O\n0.927697 0.397383 0.250000 O\n0.071666 0.737404 0.850075 O\n0.908359 0.245169 0.474695 O\n0.913926 0.349564 0.910271 O\n0.011155 0.895482 0.064692 O\n0.586074 0.849564 0.910271 O\n0.400832 0.746035 0.850430 O\n0.274859 0.481410 0.330890 O\n0.488845 0.395482 0.064692 O\n0.880588 0.737813 0.024983 O\n0.274859 0.481410 0.169110 O\n0.913926 0.349564 0.589729 O\n0.071666 0.737404 0.649925 O\n0.362388 0.817661 0.314239 O\n0.499749 0.147822 0.250000 O\n0.541373 0.096403 0.566142 O\n0.391019 0.656925 0.090317 O\n0.488845 0.395482 0.435308 O\n0.768578 0.120047 0.403324 O\n0.511155 0.604518 0.564692 O\n0.086074 0.650436 0.089729 O\n0.774859 0.018590 0.830890 O\n0.958627 0.596403 0.933858 O\n0.231422 0.879953 0.596676 O\n0.041373 0.403597 0.066142 O\n0.928334 0.262596 0.350075 O\n0.119412 0.262187 0.524983 O\n0.011155 0.895482 0.435308 O\n0.908359 0.245169 0.025305 O\n0.862388 0.682339 0.814239 O\n0.264767 0.332847 0.083396 O\n0.097648 0.109205 0.750000 O\n0.608981 0.343075 0.909683 O\n0.731422 0.620047 0.403324 O\n0.731422 0.620047 0.096676 O\n0.968971 0.843912 0.750000 O\n0.260577 0.122948 0.591527 O\n0.402352 0.609205 0.750000 O\n0.764767 0.167153 0.583396 O\n0.902352 0.890795 0.250000 O\n0.108981 0.156925 0.090317 O\n0.891019 0.843075 0.909683 O\n0.619412 0.237813 0.475017 O\n0.760577 0.377052 0.091527 O\n0.739423 0.877052 0.091527 O\n0.571666 0.762596 0.350075 O\n0.988845 0.104518 0.564692 O\n0.239423 0.622948 0.591527 O\n0.637612 0.182339 0.685761 O\n0.268578 0.379953 0.903324 O\n0.608633 0.690006 0.814449 O\n0.988845 0.104518 0.935308 O\n0.586074 0.849564 0.589729 O\n0.235233 0.832847 0.416604 O\n0.231422 0.879953 0.903324 O\n0.458627 0.903597 0.433858 O\n0.458627 0.903597 0.066142 O\n0.072303 0.602617 0.750000 O\n0.086074 0.650436 0.410271 O\n0.428334 0.237404 0.850075 O\n0.608633 0.690006 0.685551 O\n0.619412 0.237813 0.024983 O\n0.599168 0.253965 0.149570 O\n0.427697 0.102617 0.750000 O\n0.891367 0.190006 0.685551 O\n0.137612 0.317661 0.185761 O\n0.880588 0.737813 0.475017 O\n0.413926 0.150436 0.410271 O\n0.099168 0.246035 0.649570 O\n0.591641 0.745169 0.474695 O\n0.391367 0.309994 0.314449 O\n0.235233 0.832847 0.083396 O\n0.768578 0.120047 0.096676 O\n0.725141 0.518590 0.669110 O\n0.725141 0.518590 0.830890 O\n0.591641 0.745169 0.025305 O\n0.400832 0.746035 0.649570 O\n0.597648 0.390795 0.250000 O\n0.099168 0.246035 0.850430 O\n0.137612 0.317661 0.314239 O\n0.408359 0.254831 0.525305 O\n0.031029 0.156088 0.250000 O\n0.500251 0.852178 0.750000 O\n0.891367 0.190006 0.814449 O\n0.108633 0.809994 0.185551 O\n0.428334 0.237404 0.649925 O\n0.900832 0.753965 0.350430 O\n0.599168 0.253965 0.350430 O\n0.041373 0.403597 0.433858 O\n0.900832 0.753965 0.149570 O\n0.408359 0.254831 0.974695 O\n0.739423 0.877052 0.408473 O\n0.572303 0.897383 0.250000 O\n0.531029 0.343912 0.750000 O\n0.637612 0.182339 0.814239 O\n0.958627 0.596403 0.566142 O\n0.239423 0.622948 0.908473 O\n0.268578 0.379953 0.596676 O\n0.999749 0.352178 0.750000 O\n0.735233 0.667153 0.916604 O\n0.380588 0.762187 0.975017 O\n0.891019 0.843075 0.590317 O\n0.735233 0.667153 0.583396 O\n",
            "nsites": 200,
            "nelements": 5,
            "elements": [
                "Rb",
                "U",
                "V",
                "Cl",
                "O"
            ],
            "chemical_system": "Cl-O-Rb-U-V",
            "density": 5.630342473323493,
            "density_atomic": 0.05378905851562383,
            "volume": 3718.228307377922,
            "volume_molar": 11.195847122423197,
            "formula_full": "Rb28 U32 V8 Cl4 O128",
            "formula_reduced": "Rb7U8V2ClO32",
            "formula_anonymous": "AB2C7D8E32",
            "energy": -1740.9348748999998,
            "energy_per_atom": -8.7046743745,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -1636.9428749,
            "band_gap": 1.5465000000000002,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.001427,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:39:48.356000Z",
            "spacegroup": 62
        },
        {
            "id": "mp-1197938",
            "created_at": "2022-09-04T14:48:29.587149Z",
            "structure_string": "Co6 B14 O26 F2\n1.0\n7.497127 -4.283089 0.000000\n7.497127 4.283089 0.000000\n5.050210 0.000000 7.003367\nCo B O F\n6 14 26 2\ndirect\n0.967377 0.966303 0.546454 Co\n0.546454 0.967377 0.966303 Co\n0.966303 0.546454 0.967377 Co\n0.046454 0.466303 0.467377 Co\n0.467377 0.046454 0.466303 Co\n0.466303 0.467377 0.046454 Co\n0.749578 0.257014 0.751184 B\n0.751184 0.749578 0.257014 B\n0.257014 0.751184 0.749578 B\n0.251184 0.757014 0.249578 B\n0.249578 0.251184 0.757014 B\n0.757014 0.249578 0.251184 B\n0.576707 0.269434 0.576875 B\n0.576875 0.576707 0.269434 B\n0.269434 0.576875 0.576707 B\n0.076875 0.769434 0.076707 B\n0.076707 0.076875 0.769434 B\n0.769434 0.076707 0.076875 B\n0.605799 0.605799 0.605799 B\n0.105799 0.105799 0.105799 B\n0.491653 0.491653 0.491653 O\n0.991653 0.991653 0.991653 O\n0.447915 0.770147 0.607148 O\n0.607148 0.447915 0.770147 O\n0.770147 0.607148 0.447915 O\n0.107148 0.270147 0.947915 O\n0.947915 0.107148 0.270147 O\n0.270147 0.947915 0.107148 O\n0.758383 0.438988 0.201505 O\n0.201505 0.758383 0.438988 O\n0.438988 0.201505 0.758383 O\n0.701505 0.938988 0.258383 O\n0.258383 0.701505 0.938988 O\n0.938988 0.258383 0.701505 O\n0.614704 0.192090 0.439285 O\n0.439285 0.614704 0.192090 O\n0.192090 0.439285 0.614704 O\n0.939285 0.692090 0.114704 O\n0.114704 0.939285 0.692090 O\n0.692090 0.114704 0.939285 O\n0.215709 0.603762 0.753377 O\n0.753377 0.215709 0.603762 O\n0.603762 0.753377 0.215709 O\n0.253377 0.103762 0.715709 O\n0.715709 0.253377 0.103762 O\n0.103762 0.715709 0.253377 O\n0.796407 0.796407 0.796407 F\n0.296407 0.296407 0.296407 F\n",
            "nsites": 48,
            "nelements": 4,
            "elements": [
                "Co",
                "B",
                "O",
                "F"
            ],
            "chemical_system": "B-Co-F-O",
            "density": 3.540373957256851,
            "density_atomic": 0.10672161522150357,
            "volume": 449.7683051401978,
            "volume_molar": 5.6428500894602145,
            "formula_full": "Co6 B14 O26 F2",
            "formula_reduced": "Co3B7O13F",
            "formula_anonymous": "AB3C7D13",
            "energy": -387.54834044,
            "energy_per_atom": -8.073923759166666,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -358.93434044,
            "band_gap": 2.2897000000000003,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 17.9996441,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:39:51.313000Z",
            "spacegroup": 161
        },
        {
            "id": "mp-7895",
            "created_at": "2022-09-04T14:48:29.612142Z",
            "structure_string": "Rb2 O2\n1.0\n-2.133849 3.034151 3.597822\n2.133849 -3.034151 3.597822\n2.133849 3.034151 -3.597822\nRb O\n2 2\ndirect\n0.258792 0.258792 0.000000 Rb\n0.741208 0.741208 0.000000 Rb\n0.625840 0.000000 0.625840 O\n0.374160 0.000000 0.374160 O\n",
            "nsites": 4,
            "nelements": 2,
            "elements": [
                "Rb",
                "O"
            ],
            "chemical_system": "O-Rb",
            "density": 3.616631251187274,
            "density_atomic": 0.042929858080623766,
            "volume": 93.17524396395304,
            "volume_molar": 14.027860862456638,
            "formula_full": "Rb2 O2",
            "formula_reduced": "RbO",
            "formula_anonymous": "AB",
            "energy": -16.78893411,
            "energy_per_atom": -4.1972335275,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -15.85893411,
            "band_gap": 1.7600000000000002,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0001028,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:39:48.026000Z",
            "spacegroup": 71
        },
        {
            "id": "mp-1191902",
            "created_at": "2022-09-04T14:48:29.710626Z",
            "structure_string": "Tb4 B16 W4\n1.0\n6.050960 0.000000 0.000000\n0.000000 11.694176 0.000000\n0.000000 0.000000 3.635286\nTb B W\n4 16 4\ndirect\n0.626706 0.350165 0.000000 Tb\n0.373294 0.649835 0.000000 Tb\n0.126706 0.149835 0.000000 Tb\n0.873294 0.850165 0.000000 Tb\n0.786132 0.186345 0.500000 B\n0.213868 0.813655 0.500000 B\n0.286132 0.313655 0.500000 B\n0.713868 0.686345 0.500000 B\n0.866157 0.032189 0.500000 B\n0.133843 0.967811 0.500000 B\n0.366157 0.467811 0.500000 B\n0.633843 0.532189 0.500000 B\n0.886203 0.452909 0.500000 B\n0.113797 0.547091 0.500000 B\n0.386203 0.047091 0.500000 B\n0.613797 0.952909 0.500000 B\n0.975818 0.307104 0.500000 B\n0.024182 0.692896 0.500000 B\n0.475818 0.192896 0.500000 B\n0.524182 0.807104 0.500000 B\n0.630452 0.084206 0.000000 W\n0.369548 0.915794 0.000000 W\n0.130452 0.415794 0.000000 W\n0.869548 0.584206 0.000000 W\n",
            "nsites": 24,
            "nelements": 3,
            "elements": [
                "Tb",
                "B",
                "W"
            ],
            "chemical_system": "B-Tb-W",
            "density": 9.967228655992463,
            "density_atomic": 0.09329937832993203,
            "volume": 257.2364406880554,
            "volume_molar": 6.45464189343692,
            "formula_full": "Tb4 B16 W4",
            "formula_reduced": "TbB4W",
            "formula_anonymous": "ABC4",
            "energy": -191.38978648,
            "energy_per_atom": -7.974574436666667,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -191.38978648,
            "band_gap": 0.5609000000000002,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0245571,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:39:50.665000Z",
            "spacegroup": 55
        },
        {
            "id": "mp-4812",
            "created_at": "2022-09-04T14:48:29.910560Z",
            "structure_string": "Zn4 B6 O13\n1.0\n-3.775172 3.775172 3.775172\n3.775172 -3.775172 3.775172\n3.775172 3.775172 -3.775172\nZn B O\n4 6 13\ndirect\n0.693102 0.693102 0.693102 Zn\n0.000000 0.306898 0.000000 Zn\n0.306898 0.000000 0.000000 Zn\n0.000000 0.000000 0.306898 Zn\n0.250000 0.500000 0.750000 B\n0.750000 0.250000 0.500000 B\n0.250000 0.750000 0.500000 B\n0.500000 0.750000 0.250000 B\n0.500000 0.250000 0.750000 B\n0.750000 0.500000 0.250000 B\n0.723643 0.723643 0.280940 O\n0.276357 0.557297 0.000000 O\n0.442703 0.719060 0.442703 O\n0.557297 0.276357 0.000000 O\n0.000000 0.557297 0.276357 O\n0.719060 0.442703 0.442703 O\n0.280940 0.723643 0.723643 O\n0.723643 0.280940 0.723643 O\n0.276357 0.000000 0.557297 O\n0.000000 0.276357 0.557297 O\n0.442703 0.442703 0.719060 O\n0.557297 0.000000 0.276357 O\n0.000000 0.000000 0.000000 O\n",
            "nsites": 23,
            "nelements": 3,
            "elements": [
                "Zn",
                "B",
                "O"
            ],
            "chemical_system": "B-O-Zn",
            "density": 4.124030545367804,
            "density_atomic": 0.10687044431548988,
            "volume": 215.21385213017555,
            "volume_molar": 5.63499178708584,
            "formula_full": "Zn4 B6 O13",
            "formula_reduced": "Zn4B6O13",
            "formula_anonymous": "A4B6C13",
            "energy": -167.20534017,
            "energy_per_atom": -7.269797398695652,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -158.27434017,
            "band_gap": 3.4134,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0009573,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:39:45.427000Z",
            "spacegroup": 217
        },
        {
            "id": "mp-558154",
            "created_at": "2022-09-04T14:39:07.699099Z",
            "structure_string": "Ag6 P2 O8\n1.0\n6.032654 0.000000 0.000000\n0.000000 6.032654 0.000000\n0.000000 0.000000 6.032654\nAg P O\n6 2 8\ndirect\n0.000000 0.500000 0.750000 Ag\n0.750000 0.000000 0.500000 Ag\n0.250000 0.000000 0.500000 Ag\n0.500000 0.250000 0.000000 Ag\n0.000000 0.500000 0.250000 Ag\n0.500000 0.750000 0.000000 Ag\n0.500000 0.500000 0.500000 P\n0.000000 0.000000 0.000000 P\n0.750000 0.250000 0.750000 O\n0.250000 0.250000 0.250000 O\n0.250000 0.750000 0.750000 O\n0.750000 0.750000 0.250000 O\n0.750000 0.250000 0.250000 O\n0.250000 0.750000 0.250000 O\n0.250000 0.250000 0.750000 O\n0.750000 0.750000 0.750000 O\n",
            "nsites": 16,
            "nelements": 3,
            "elements": [
                "Ag",
                "P",
                "O"
            ],
            "chemical_system": "Ag-O-P",
            "density": 6.331813658222643,
            "density_atomic": 0.07287771222578629,
            "volume": 219.54585992531648,
            "volume_molar": 8.26335044840937,
            "formula_full": "Ag6 P2 O8",
            "formula_reduced": "Ag3PO4",
            "formula_anonymous": "AB3C4",
            "energy": -70.44986028,
            "energy_per_atom": -4.4031162675,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -64.95386028,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0042089,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:30.767000Z",
            "spacegroup": 223
        },
        {
            "id": "mp-672360",
            "created_at": "2022-09-04T14:48:29.949953Z",
            "structure_string": "Gd2 C12 N18\n1.0\n3.912001 -5.793734 0.000000\n3.912001 5.793734 0.000000\n0.000000 0.000000 10.295202\nGd C N\n2 12 18\ndirect\n0.285376 0.714624 0.750000 Gd\n0.714624 0.285376 0.250000 Gd\n0.996437 0.291232 0.552091 C\n0.441808 0.273692 0.750000 C\n0.558192 0.726308 0.250000 C\n0.708768 0.003563 0.947909 C\n0.291232 0.996437 0.447909 C\n0.291232 0.996437 0.052091 C\n0.003563 0.708768 0.052091 C\n0.003563 0.708768 0.447909 C\n0.708768 0.003563 0.552091 C\n0.726308 0.558192 0.750000 C\n0.273692 0.441808 0.250000 C\n0.996437 0.291232 0.947909 C\n0.417297 0.140892 0.399073 N\n0.359035 0.092743 0.750000 N\n0.840803 0.159197 0.489925 N\n0.582703 0.859108 0.899073 N\n0.092743 0.359035 0.250000 N\n0.859108 0.582703 0.399073 N\n0.140892 0.417297 0.899073 N\n0.907257 0.640965 0.750000 N\n0.840803 0.159197 0.010075 N\n0.140892 0.417297 0.600927 N\n0.159197 0.840803 0.989925 N\n0.417297 0.140892 0.100927 N\n0.582703 0.859108 0.600927 N\n0.859108 0.582703 0.100927 N\n0.159197 0.840803 0.510075 N\n0.640965 0.907257 0.250000 N\n0.525241 0.474759 0.750000 N\n0.474759 0.525241 0.250000 N\n",
            "nsites": 32,
            "nelements": 3,
            "elements": [
                "Gd",
                "C",
                "N"
            ],
            "chemical_system": "C-Gd-N",
            "density": 2.5289659242185367,
            "density_atomic": 0.06856896610488647,
            "volume": 466.6834257213565,
            "volume_molar": 8.782604000165668,
            "formula_full": "Gd2 C12 N18",
            "formula_reduced": "Gd(C2N3)3",
            "formula_anonymous": "AB6C9",
            "energy": -295.06968609,
            "energy_per_atom": -9.2209276903125,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -288.57168609,
            "band_gap": 1.8058,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 13.9961517,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:39:52.932000Z",
            "spacegroup": 63
        },
        {
            "id": "mp-20379",
            "created_at": "2022-09-04T14:40:42.721891Z",
            "structure_string": "Dy1 Th1\n1.0\n4.007679 0.000000 0.000000\n0.000000 4.007679 0.000000\n0.000000 0.000000 4.007679\nDy Th\n1 1\ndirect\n0.000000 0.000000 0.000000 Dy\n0.500000 0.500000 0.500000 Th\n",
            "nsites": 2,
            "nelements": 2,
            "elements": [
                "Dy",
                "Th"
            ],
            "chemical_system": "Dy-Th",
            "density": 10.177924279235294,
            "density_atomic": 0.031070712252885314,
            "volume": 64.36930005729992,
            "volume_molar": 19.38204927838681,
            "formula_full": "Dy1 Th1",
            "formula_reduced": "DyTh",
            "formula_anonymous": "AB",
            "energy": -11.72569729,
            "energy_per_atom": -5.862848645,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -11.72569729,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0001135,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:12.281000Z",
            "spacegroup": 221
        },
        {
            "id": "mp-1192203",
            "created_at": "2022-09-04T14:39:11.865165Z",
            "structure_string": "Na4 Cd4 As4 S12\n1.0\n16.733991 0.000000 0.000000\n0.000000 5.767011 0.000000\n0.000000 5.642970 5.825887\nNa Cd As S\n4 4 4 12\ndirect\n0.925816 0.798938 0.734163 Na\n0.574184 0.798938 0.234163 Na\n0.074184 0.201062 0.265837 Na\n0.425816 0.201062 0.765837 Na\n0.749292 0.244191 0.754478 Cd\n0.750708 0.244191 0.254478 Cd\n0.250708 0.755809 0.245522 Cd\n0.249292 0.755809 0.745522 Cd\n0.600645 0.717972 0.770309 As\n0.899355 0.717972 0.270309 As\n0.399355 0.282028 0.229691 As\n0.100645 0.282028 0.729691 As\n0.899560 0.372444 0.659725 S\n0.600440 0.372444 0.159725 S\n0.100440 0.627556 0.340275 S\n0.399560 0.627556 0.840275 S\n0.597612 0.364194 0.727908 S\n0.902388 0.364194 0.227908 S\n0.402388 0.635806 0.272092 S\n0.097612 0.635806 0.772092 S\n0.763823 0.820858 0.213888 S\n0.736177 0.820858 0.713888 S\n0.236177 0.179142 0.786112 S\n0.263823 0.179142 0.286112 S\n",
            "nsites": 24,
            "nelements": 4,
            "elements": [
                "Na",
                "Cd",
                "As",
                "S"
            ],
            "chemical_system": "As-Cd-Na-S",
            "density": 3.621194155299142,
            "density_atomic": 0.04268731846667287,
            "volume": 562.2278667782199,
            "volume_molar": 14.107563970554033,
            "formula_full": "Na4 Cd4 As4 S12",
            "formula_reduced": "NaCdAsS3",
            "formula_anonymous": "ABCD3",
            "energy": -97.58486625,
            "energy_per_atom": -4.06603609375,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -91.54886625,
            "band_gap": 1.9753,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0008941,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:37.906000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-696089",
            "created_at": "2022-09-04T14:48:29.598108Z",
            "structure_string": "Zn2 H40 S4 N4 O28\n1.0\n13.814149 0.000000 0.000000\n0.000000 6.225586 0.000000\n0.000000 2.030252 8.475351\nZn H S N O\n2 40 4 4 28\ndirect\n0.500000 0.000000 0.500000 Zn\n0.000000 0.000000 0.000000 Zn\n0.169976 0.776403 0.549569 H\n0.669976 0.223597 0.950431 H\n0.830024 0.223597 0.450431 H\n0.330024 0.776403 0.049569 H\n0.259175 0.637389 0.663486 H\n0.759175 0.362611 0.836514 H\n0.740825 0.362611 0.336514 H\n0.240825 0.637389 0.163486 H\n0.164305 0.493568 0.616201 H\n0.664305 0.506432 0.883799 H\n0.835695 0.506432 0.383799 H\n0.335695 0.493568 0.116201 H\n0.020361 0.815407 0.765062 H\n0.520361 0.184593 0.734938 H\n0.979639 0.184593 0.234938 H\n0.479639 0.815407 0.265062 H\n0.424653 0.656867 0.728810 H\n0.924653 0.343133 0.771190 H\n0.575347 0.343133 0.271190 H\n0.075347 0.656867 0.228810 H\n0.383305 0.885183 0.751594 H\n0.883305 0.114817 0.748406 H\n0.616695 0.114817 0.248406 H\n0.116695 0.885183 0.251594 H\n0.348112 0.661526 0.242833 H\n0.848112 0.338474 0.257167 H\n0.651888 0.338474 0.757167 H\n0.151888 0.661526 0.742833 H\n0.416822 0.033934 0.221327 H\n0.916822 0.966066 0.278673 H\n0.583178 0.966066 0.778673 H\n0.083178 0.033934 0.721327 H\n0.585760 0.654230 0.424994 H\n0.085760 0.345770 0.075006 H\n0.414240 0.345770 0.575006 H\n0.914240 0.654230 0.924994 H\n0.659534 0.708813 0.548899 H\n0.159534 0.291187 0.951101 H\n0.340466 0.291187 0.451101 H\n0.840466 0.708813 0.048899 H\n0.366595 0.239340 0.914157 S\n0.866595 0.760660 0.585843 S\n0.633405 0.760660 0.085843 S\n0.133405 0.239340 0.414157 S\n0.186109 0.640655 0.642246 N\n0.686109 0.359345 0.857754 N\n0.813891 0.359345 0.357754 N\n0.313891 0.640655 0.142246 N\n0.275502 0.369743 0.892355 O\n0.775502 0.630257 0.607645 O\n0.724498 0.630257 0.107645 O\n0.224498 0.369743 0.392355 O\n0.405659 0.233133 0.074134 O\n0.905659 0.766867 0.425866 O\n0.594341 0.766867 0.925866 O\n0.094341 0.233133 0.574134 O\n0.439082 0.352878 0.791843 O\n0.939082 0.647122 0.708157 O\n0.560918 0.647122 0.208157 O\n0.060918 0.352878 0.291843 O\n0.350482 0.011077 0.892862 O\n0.850482 0.988923 0.607138 O\n0.649518 0.988923 0.107138 O\n0.149518 0.011077 0.392862 O\n0.397723 0.800266 0.669820 O\n0.897723 0.199734 0.830180 O\n0.602277 0.199734 0.330180 O\n0.102277 0.800266 0.169820 O\n0.431556 0.903231 0.311900 O\n0.931556 0.096769 0.188100 O\n0.568444 0.096769 0.688100 O\n0.068444 0.903231 0.811900 O\n0.589097 0.706042 0.523974 O\n0.089097 0.293958 0.976026 O\n0.410903 0.293958 0.476026 O\n0.910903 0.706042 0.023974 O\n",
            "nsites": 78,
            "nelements": 5,
            "elements": [
                "Zn",
                "H",
                "S",
                "N",
                "O"
            ],
            "chemical_system": "H-N-O-S-Zn",
            "density": 1.8302983407034592,
            "density_atomic": 0.10701201373962792,
            "volume": 728.8901243348494,
            "volume_molar": 5.627537086305595,
            "formula_full": "Zn2 H40 S4 N4 O28",
            "formula_reduced": "ZnH20S2(NO7)2",
            "formula_anonymous": "AB2C2D14E20",
            "energy": -427.02409257,
            "energy_per_atom": -5.474667853461538,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -406.34409257,
            "band_gap": 4.6715,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0007125,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:39:43.932000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-1207757",
            "created_at": "2022-09-04T14:39:07.710526Z",
            "structure_string": "Y6 Tl10\n1.0\n4.069675 -5.095666 0.000000\n4.069675 5.095666 0.000000\n0.000000 0.000000 10.588845\nY Tl\n6 10\ndirect\n0.795315 0.204685 0.000000 Y\n0.204685 0.795315 0.000000 Y\n0.204685 0.795315 0.500000 Y\n0.795315 0.204685 0.500000 Y\n0.621882 0.621882 0.250000 Y\n0.378118 0.378118 0.750000 Y\n0.069896 0.515699 0.250000 Tl\n0.930104 0.484301 0.750000 Tl\n0.515699 0.069896 0.250000 Tl\n0.484301 0.930104 0.750000 Tl\n0.007684 0.007684 0.250000 Tl\n0.992316 0.992316 0.750000 Tl\n0.304483 0.304483 0.039509 Tl\n0.695517 0.695517 0.960491 Tl\n0.695517 0.695517 0.539509 Tl\n0.304483 0.304483 0.460491 Tl\n",
            "nsites": 16,
            "nelements": 2,
            "elements": [
                "Y",
                "Tl"
            ],
            "chemical_system": "Tl-Y",
            "density": 9.744721387352488,
            "density_atomic": 0.036431807079379375,
            "volume": 439.176677817228,
            "volume_molar": 16.529898577028227,
            "formula_full": "Y6 Tl10",
            "formula_reduced": "Y3Tl5",
            "formula_anonymous": "A3B5",
            "energy": -67.52447603,
            "energy_per_atom": -4.220279751875,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -67.52447603,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0025821,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:23.465000Z",
            "spacegroup": 63
        }
    ]
}