GET /third-parties/MatprojStructure/?format=api&ordering=formula_anonymous&page=100
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=formula_anonymous&page=101",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_anonymous&page=99",
    "results": [
        {
            "id": "mp-29774",
            "created_at": "2022-09-04T14:42:01.603591Z",
            "structure_string": "Ho28 Ge46\n1.0\n2.870812 -6.877955 0.000000\n2.870812 6.877955 0.000000\n0.000000 0.000000 40.294956\nHo Ge\n28 46\ndirect\n0.722142 0.722142 0.000000 Ho\n0.277858 0.277858 0.500000 Ho\n0.745803 0.254197 0.750000 Ho\n0.254197 0.745803 0.250000 Ho\n0.239580 0.232250 0.785126 Ho\n0.232250 0.239580 0.214874 Ho\n0.760420 0.767750 0.285126 Ho\n0.767750 0.760420 0.714874 Ho\n0.744775 0.752969 0.857094 Ho\n0.752970 0.744776 0.142906 Ho\n0.255224 0.247031 0.357094 Ho\n0.247031 0.255225 0.642906 Ho\n0.265488 0.257758 0.930141 Ho\n0.257758 0.265489 0.069859 Ho\n0.734511 0.742242 0.430141 Ho\n0.742242 0.734511 0.569859 Ho\n0.239175 0.731818 0.822234 Ho\n0.731818 0.239175 0.177766 Ho\n0.760825 0.268182 0.322234 Ho\n0.268182 0.760825 0.677766 Ho\n0.767649 0.260877 0.892731 Ho\n0.260877 0.767649 0.107269 Ho\n0.232351 0.739123 0.392731 Ho\n0.739123 0.232351 0.607269 Ho\n0.242701 0.749217 0.962836 Ho\n0.749217 0.242701 0.037164 Ho\n0.757299 0.250783 0.462836 Ho\n0.250783 0.757299 0.537164 Ho\n0.197326 0.802674 0.750000 Ge\n0.802674 0.197326 0.250000 Ge\n0.588048 0.789017 0.777627 Ge\n0.789017 0.588048 0.222373 Ge\n0.411952 0.210983 0.277627 Ge\n0.210983 0.411952 0.722373 Ge\n0.194835 0.301105 0.857398 Ge\n0.301105 0.194835 0.142602 Ge\n0.805165 0.698895 0.357398 Ge\n0.698895 0.805165 0.642602 Ge\n0.715652 0.919904 0.937689 Ge\n0.919904 0.715652 0.062311 Ge\n0.284348 0.080096 0.437689 Ge\n0.080096 0.284348 0.562311 Ge\n0.116241 0.301374 0.995464 Ge\n0.301373 0.116241 0.004536 Ge\n0.883759 0.698627 0.495464 Ge\n0.698626 0.883759 0.504536 Ge\n0.834545 0.168080 0.819973 Ge\n0.168080 0.834545 0.180027 Ge\n0.165455 0.831920 0.319973 Ge\n0.831920 0.165455 0.680027 Ge\n0.333694 0.665237 0.894551 Ge\n0.665237 0.333694 0.105449 Ge\n0.666306 0.334763 0.394551 Ge\n0.334763 0.666306 0.605449 Ge\n0.587619 0.287966 0.829784 Ge\n0.287966 0.587619 0.170216 Ge\n0.412381 0.712034 0.329784 Ge\n0.712034 0.412381 0.670216 Ge\n0.210867 0.910648 0.885167 Ge\n0.910648 0.210867 0.114833 Ge\n0.789133 0.089352 0.385167 Ge\n0.089352 0.789133 0.614833 Ge\n0.687213 0.314695 0.966036 Ge\n0.314695 0.687213 0.033964 Ge\n0.312787 0.685305 0.466036 Ge\n0.685305 0.312787 0.533964 Ge\n0.834302 0.667604 0.787244 Ge\n0.667604 0.834302 0.212756 Ge\n0.165698 0.332396 0.287244 Ge\n0.332396 0.165698 0.712756 Ge\n0.825845 0.663850 0.926630 Ge\n0.663850 0.825845 0.073370 Ge\n0.174155 0.336150 0.426630 Ge\n0.336150 0.174155 0.573370 Ge\n",
            "nsites": 74,
            "nelements": 2,
            "elements": [
                "Ho",
                "Ge"
            ],
            "chemical_system": "Ge-Ho",
            "density": 8.305953924828382,
            "density_atomic": 0.046503640777737505,
            "volume": 1591.2732586611953,
            "volume_molar": 12.94982642065082,
            "formula_full": "Ho28 Ge46",
            "formula_reduced": "Ho14Ge23",
            "formula_anonymous": "A14B23",
            "energy": -387.8545631999999,
            "energy_per_atom": -5.24127788108108,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -387.8545631999999,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0173838,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:35.174000Z",
            "spacegroup": 20
        },
        {
            "id": "mp-650285",
            "created_at": "2022-09-04T14:42:11.812300Z",
            "structure_string": "Mn28 Si46\n1.0\n4.986597 0.000000 0.000000\n0.000000 13.627633 0.000000\n0.000000 0.000000 13.981254\nMn Si\n28 46\ndirect\n0.500000 0.257357 0.541483 Mn\n0.500000 0.213118 0.737377 Mn\n0.000000 0.242643 0.041483 Mn\n0.000000 0.430250 0.940676 Mn\n0.000000 0.713118 0.762623 Mn\n0.500000 0.930250 0.559324 Mn\n0.500000 0.148926 0.026038 Mn\n0.500000 0.571689 0.171979 Mn\n0.500000 0.742643 0.458517 Mn\n0.000000 0.887279 0.257708 Mn\n0.500000 0.512935 0.576838 Mn\n0.500000 0.786882 0.262623 Mn\n0.500000 0.612721 0.757708 Mn\n0.500000 0.487065 0.423162 Mn\n0.500000 0.428311 0.828021 Mn\n0.000000 0.071689 0.328021 Mn\n0.000000 0.351074 0.526038 Mn\n0.000000 0.928311 0.671979 Mn\n0.000000 0.569750 0.059324 Mn\n0.000000 0.112721 0.742292 Mn\n0.000000 0.987065 0.076838 Mn\n0.000000 0.286882 0.237377 Mn\n0.000000 0.012935 0.923162 Mn\n0.500000 0.851074 0.973962 Mn\n0.500000 0.387279 0.242292 Mn\n0.500000 0.069750 0.440676 Mn\n0.000000 0.648926 0.473962 Mn\n0.000000 0.757357 0.958517 Mn\n0.000000 0.311419 0.820227 Si\n0.733671 0.096726 0.606751 Si\n0.500000 0.745884 0.847500 Si\n0.272816 0.611509 0.328487 Si\n0.500000 0.987389 0.084495 Si\n0.742043 0.338051 0.386175 Si\n0.257957 0.338051 0.386175 Si\n0.000000 0.754116 0.347500 Si\n0.500000 0.018843 0.737223 Si\n0.257957 0.661949 0.613825 Si\n0.000000 0.184294 0.463422 Si\n0.766329 0.403274 0.106751 Si\n0.272816 0.388491 0.671513 Si\n0.757957 0.838051 0.113825 Si\n0.500000 0.811419 0.679773 Si\n0.233671 0.596726 0.893249 Si\n0.766329 0.596726 0.893249 Si\n0.000000 0.481157 0.237223 Si\n0.727184 0.611509 0.328487 Si\n0.727184 0.388491 0.671513 Si\n0.757957 0.161949 0.886175 Si\n0.000000 0.815706 0.536578 Si\n0.500000 0.188581 0.320227 Si\n0.233671 0.403274 0.106751 Si\n0.500000 0.684294 0.036578 Si\n0.242043 0.161949 0.886175 Si\n0.000000 0.000000 0.500000 Si\n0.500000 0.012611 0.915505 Si\n0.742043 0.661949 0.613825 Si\n0.266329 0.903274 0.393249 Si\n0.772816 0.888491 0.828487 Si\n0.000000 0.688581 0.179773 Si\n0.500000 0.981157 0.262777 Si\n0.000000 0.245884 0.652500 Si\n0.242043 0.838051 0.113825 Si\n0.000000 0.518843 0.762777 Si\n0.266329 0.096726 0.606751 Si\n0.772816 0.111509 0.171513 Si\n0.733671 0.903274 0.393249 Si\n0.500000 0.315706 0.963422 Si\n0.500000 0.500000 0.000000 Si\n0.000000 0.512611 0.584495 Si\n0.500000 0.254116 0.152500 Si\n0.227184 0.888491 0.828487 Si\n0.227184 0.111509 0.171513 Si\n0.000000 0.487389 0.415505 Si\n",
            "nsites": 74,
            "nelements": 2,
            "elements": [
                "Mn",
                "Si"
            ],
            "chemical_system": "Mn-Si",
            "density": 4.9464671670985805,
            "density_atomic": 0.07788626776594591,
            "volume": 950.1032996262649,
            "volume_molar": 7.731967306607869,
            "formula_full": "Mn28 Si46",
            "formula_reduced": "Mn14Si23",
            "formula_anonymous": "A14B23",
            "energy": -491.6625882,
            "energy_per_atom": -6.64408902972973,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -494.9285882,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 40.5302768,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:37.689000Z",
            "spacegroup": 58
        },
        {
            "id": "mp-1217877",
            "created_at": "2022-09-04T14:46:31.037405Z",
            "structure_string": "Tb14 P24 Ir33\n1.0\n1.974591 11.874409 0.000000\n-1.974591 11.874409 0.000000\n0.000000 9.979492 24.896522\nTb P Ir\n14 24 33\ndirect\n0.580958 0.580958 0.372678 Tb\n0.582884 0.582884 0.872605 Tb\n0.417007 0.417007 0.127454 Tb\n0.417330 0.417330 0.627339 Tb\n0.770177 0.770177 0.346228 Tb\n0.766190 0.766190 0.844163 Tb\n0.234226 0.234226 0.155752 Tb\n0.234086 0.234086 0.655498 Tb\n0.498649 0.498649 0.251512 Tb\n0.499962 0.499962 0.749961 Tb\n0.631677 0.631677 0.001602 Tb\n0.633014 0.633014 0.501090 Tb\n0.369186 0.369186 0.496604 Tb\n0.368543 0.368543 0.998298 Tb\n0.633151 0.633151 0.211125 P\n0.633958 0.633958 0.710607 P\n0.366614 0.366614 0.289759 P\n0.366125 0.366125 0.789351 P\n0.114843 0.114843 0.084455 P\n0.115270 0.115270 0.584216 P\n0.882303 0.882303 0.413159 P\n0.885088 0.885088 0.915742 P\n0.985615 0.985615 0.165949 P\n0.985259 0.985259 0.665406 P\n0.011524 0.011524 0.337333 P\n0.014823 0.014823 0.834527 P\n0.766082 0.766082 0.058234 P\n0.766680 0.766680 0.557170 P\n0.239288 0.239288 0.441715 P\n0.233777 0.233777 0.941979 P\n0.938075 0.938075 0.037760 P\n0.938496 0.938496 0.536560 P\n0.063869 0.063869 0.461891 P\n0.061660 0.061660 0.962582 P\n0.811164 0.811164 0.189501 P\n0.811928 0.811928 0.689000 P\n0.188130 0.188130 0.310424 P\n0.188069 0.188069 0.810957 P\n0.779533 0.779533 0.462037 Ir\n0.780815 0.780815 0.963869 Ir\n0.219115 0.219115 0.036235 Ir\n0.220727 0.220727 0.537133 Ir\n0.090884 0.090884 0.175681 Ir\n0.090995 0.090995 0.675386 Ir\n0.905410 0.905410 0.321752 Ir\n0.908670 0.908670 0.824779 Ir\n0.448930 0.448930 0.373620 Ir\n0.458795 0.458795 0.869460 Ir\n0.541057 0.541057 0.130765 Ir\n0.541185 0.541185 0.630463 Ir\n0.166057 0.166057 0.403115 Ir\n0.161647 0.161647 0.903934 Ir\n0.838025 0.838025 0.096448 Ir\n0.838568 0.838568 0.595780 Ir\n0.110631 0.110631 0.273477 Ir\n0.111977 0.111977 0.771824 Ir\n0.888155 0.888155 0.226533 Ir\n0.888063 0.888063 0.728009 Ir\n0.705463 0.705463 0.257059 Ir\n0.704555 0.704555 0.757494 Ir\n0.296461 0.296461 0.243629 Ir\n0.295236 0.295236 0.742877 Ir\n0.500239 0.500239 0.999838 Ir\n0.501529 0.501529 0.499069 Ir\n0.974223 0.974223 0.436586 Ir\n0.972882 0.972882 0.937882 Ir\n0.027167 0.027167 0.062094 Ir\n0.027093 0.027093 0.562054 Ir\n0.334377 0.334377 0.887119 Ir\n0.665369 0.665369 0.113197 Ir\n0.665609 0.665609 0.612992 Ir\n",
            "nsites": 71,
            "nelements": 3,
            "elements": [
                "Tb",
                "P",
                "Ir"
            ],
            "chemical_system": "Ir-P-Tb",
            "density": 13.243728445233678,
            "density_atomic": 0.060813572252814516,
            "volume": 1167.5025388220645,
            "volume_molar": 9.90262623442794,
            "formula_full": "Tb14 P24 Ir33",
            "formula_reduced": "Tb14(P8Ir11)3",
            "formula_anonymous": "A14B24C33",
            "energy": -556.33573497,
            "energy_per_atom": -7.835714577042253,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -556.33573497,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.1169872,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:32.228000Z",
            "spacegroup": 8
        },
        {
            "id": "mp-1221234",
            "created_at": "2022-09-04T14:43:39.518295Z",
            "structure_string": "Pr50 B28 C52\n1.0\n0.000000 -8.570043 0.000000\n-8.270019 0.000000 2.361158\n-8.077654 0.000000 -28.541343\nPr B C\n50 28 52\ndirect\n0.809130 0.208498 0.196874 Pr\n0.309130 0.291502 0.303126 Pr\n0.190870 0.791502 0.803126 Pr\n0.690870 0.708498 0.696874 Pr\n0.707600 0.111333 0.478707 Pr\n0.207600 0.388667 0.021293 Pr\n0.292400 0.888667 0.521293 Pr\n0.792400 0.611333 0.978707 Pr\n0.901027 0.693669 0.497254 Pr\n0.401027 0.806331 0.002746 Pr\n0.098973 0.306331 0.502746 Pr\n0.598973 0.193669 0.997254 Pr\n0.411194 0.002768 0.392950 Pr\n0.911194 0.497232 0.107050 Pr\n0.588806 0.997232 0.607050 Pr\n0.088806 0.502768 0.892950 Pr\n0.998710 0.199104 0.386156 Pr\n0.498710 0.300896 0.113844 Pr\n0.001290 0.800896 0.613844 Pr\n0.501290 0.699104 0.886156 Pr\n0.908434 0.500316 0.289804 Pr\n0.408434 0.999684 0.210196 Pr\n0.091566 0.499684 0.710196 Pr\n0.591566 0.000316 0.789804 Pr\n0.696199 0.099541 0.306356 Pr\n0.196199 0.400459 0.193644 Pr\n0.303801 0.900459 0.693644 Pr\n0.803801 0.599541 0.806356 Pr\n0.503642 0.708914 0.301030 Pr\n0.003642 0.791086 0.198970 Pr\n0.496358 0.291086 0.698970 Pr\n0.996358 0.208914 0.801030 Pr\n0.619560 0.597489 0.194659 Pr\n0.119560 0.902511 0.305341 Pr\n0.380440 0.402511 0.805341 Pr\n0.880440 0.097489 0.694659 Pr\n0.802219 0.806522 0.385513 Pr\n0.302219 0.693478 0.114487 Pr\n0.197781 0.193478 0.614487 Pr\n0.697781 0.306522 0.885513 Pr\n0.500000 0.500000 0.500000 Pr\n-0.000000 0.000000 0.000000 Pr\n0.611923 0.402756 0.386134 Pr\n0.111923 0.097244 0.113866 Pr\n0.388077 0.597244 0.613866 Pr\n0.888077 0.902756 0.886134 Pr\n0.709833 0.903639 0.111442 Pr\n0.209833 0.596361 0.388558 Pr\n0.290167 0.096361 0.888558 Pr\n0.790167 0.403639 0.611442 Pr\n0.522413 0.715051 0.429728 B\n0.022413 0.784949 0.070272 B\n0.477587 0.284949 0.570272 B\n0.977587 0.215051 0.929728 B\n0.884680 0.465126 0.429277 B\n0.384680 0.034874 0.070723 B\n0.115320 0.534874 0.570723 B\n0.615320 0.965126 0.929277 B\n0.582663 0.795462 0.475061 B\n0.082663 0.704538 0.024939 B\n0.417337 0.204538 0.524939 B\n0.917337 0.295462 0.975061 B\n0.060688 0.155268 0.251232 B\n0.560688 0.344732 0.248768 B\n0.939312 0.844732 0.748768 B\n0.439312 0.655268 0.751232 B\n0.249111 0.651019 0.250447 B\n0.749111 0.848981 0.249553 B\n0.750889 0.348981 0.749553 B\n0.250889 0.151019 0.750447 B\n0.075307 0.923497 0.435987 B\n0.575307 0.576503 0.064013 B\n0.924693 0.076503 0.564013 B\n0.424693 0.423497 0.935987 B\n0.339093 0.288880 0.433516 B\n0.839093 0.211120 0.066484 B\n0.660907 0.711120 0.566484 B\n0.160907 0.788880 0.933516 B\n0.804252 0.802527 0.294557 C\n0.304252 0.697473 0.205443 C\n0.195748 0.197473 0.705443 C\n0.695748 0.302527 0.794557 C\n0.915799 0.509489 0.382819 C\n0.415799 0.990511 0.117181 C\n0.084201 0.490511 0.617181 C\n0.584201 0.009489 0.882819 C\n0.107157 0.102534 0.206134 C\n0.607157 0.397466 0.293866 C\n0.892843 0.897466 0.793866 C\n0.392843 0.602534 0.706134 C\n0.505460 0.701795 0.381289 C\n0.005460 0.798205 0.118711 C\n0.494540 0.298205 0.618711 C\n0.994540 0.201795 0.881289 C\n0.011628 0.991719 0.477097 C\n0.511628 0.508281 0.022903 C\n0.988372 0.008280 0.522903 C\n0.488372 0.491719 0.977097 C\n0.709054 0.103387 0.389355 C\n0.209054 0.396613 0.110645 C\n0.290946 0.896613 0.610645 C\n0.790946 0.603387 0.889355 C\n0.307371 0.300262 0.385171 C\n0.807371 0.199738 0.114829 C\n0.692629 0.699738 0.614829 C\n0.192629 0.800262 0.885171 C\n0.007227 0.198093 0.296726 C\n0.507227 0.301907 0.203274 C\n0.992773 0.801907 0.703274 C\n0.492773 0.698093 0.796726 C\n0.108102 0.897355 0.388612 C\n0.608102 0.602645 0.111388 C\n0.891898 0.102645 0.611388 C\n0.391898 0.397355 0.888612 C\n0.609516 0.783786 0.524051 C\n0.109516 0.716214 0.975949 C\n0.390484 0.216214 0.475949 C\n0.890484 0.283786 0.024051 C\n0.904265 0.499634 0.197272 C\n0.404265 0.000366 0.302728 C\n0.095735 0.500366 0.802728 C\n0.595735 0.999634 0.697272 C\n0.206809 0.602598 0.296324 C\n0.706809 0.897402 0.203676 C\n0.793191 0.397402 0.703676 C\n0.293191 0.102598 0.796324 C\n0.822934 0.396743 0.471371 C\n0.322934 0.103257 0.028629 C\n0.177066 0.603257 0.528629 C\n0.677066 0.896743 0.971371 C\n",
            "nsites": 130,
            "nelements": 3,
            "elements": [
                "Pr",
                "B",
                "C"
            ],
            "chemical_system": "B-C-Pr",
            "density": 6.055374825767508,
            "density_atomic": 0.05946107488883612,
            "volume": 2186.3042375711852,
            "volume_molar": 10.127870663721659,
            "formula_full": "Pr50 B28 C52",
            "formula_reduced": "Pr25(B7C13)2",
            "formula_anonymous": "A14B25C26",
            "energy": -936.71155024,
            "energy_per_atom": -7.205473463384615,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -936.71155024,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0262805,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:20.045000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-1221391",
            "created_at": "2022-09-04T14:43:33.261462Z",
            "structure_string": "Nd50 B28 C52\n1.0\n0.000000 -8.472218 0.000000\n-8.175884 0.000000 2.340633\n-8.091220 0.000000 -28.395785\nNd B C\n50 28 52\ndirect\n0.707282 0.111034 0.478509 Nd\n0.207282 0.388966 0.021491 Nd\n0.292718 0.888966 0.521491 Nd\n0.792718 0.611034 0.978509 Nd\n0.695508 0.099472 0.306630 Nd\n0.195508 0.400528 0.193370 Nd\n0.304492 0.900528 0.693370 Nd\n0.804492 0.599472 0.806630 Nd\n0.907758 0.500228 0.289823 Nd\n0.407758 0.999772 0.210177 Nd\n0.092242 0.499772 0.710177 Nd\n0.592242 0.000228 0.789823 Nd\n0.997900 0.198812 0.385955 Nd\n0.497901 0.301188 0.114045 Nd\n0.002099 0.801188 0.614045 Nd\n0.502100 0.698812 0.885955 Nd\n0.808356 0.208977 0.196691 Nd\n0.308356 0.291023 0.303309 Nd\n0.191644 0.791023 0.803309 Nd\n0.691644 0.708977 0.696691 Nd\n0.801392 0.806218 0.385361 Nd\n0.301392 0.693782 0.114639 Nd\n0.198608 0.193782 0.614639 Nd\n0.698608 0.306218 0.885361 Nd\n0.500000 0.500000 0.500000 Nd\n0.000000 0.000000 -0.000000 Nd\n0.901522 0.693628 0.497696 Nd\n0.401522 0.806372 0.002304 Nd\n0.098478 0.306372 0.502304 Nd\n0.598478 0.193628 0.997696 Nd\n0.502980 0.709246 0.301072 Nd\n0.002980 0.790754 0.198928 Nd\n0.497020 0.290754 0.698928 Nd\n0.997020 0.209246 0.801072 Nd\n0.410980 0.002131 0.392626 Nd\n0.910980 0.497869 0.107374 Nd\n0.589020 0.997869 0.607374 Nd\n0.089020 0.502131 0.892626 Nd\n0.610892 0.402288 0.385918 Nd\n0.110892 0.097712 0.114082 Nd\n0.389108 0.597712 0.614082 Nd\n0.889108 0.902288 0.885918 Nd\n0.618894 0.597366 0.194786 Nd\n0.118894 0.902634 0.305214 Nd\n0.381106 0.402634 0.805214 Nd\n0.881106 0.097366 0.694786 Nd\n0.708942 0.903869 0.112005 Nd\n0.208942 0.596131 0.387995 Nd\n0.291058 0.096131 0.887995 Nd\n0.791058 0.403869 0.612005 Nd\n0.520901 0.713234 0.429607 B\n0.020901 0.786766 0.070393 B\n0.479099 0.286766 0.570393 B\n0.979099 0.213234 0.929607 B\n0.338236 0.288598 0.433479 B\n0.838236 0.211402 0.066521 B\n0.661764 0.711402 0.566521 B\n0.161764 0.788598 0.933479 B\n0.883702 0.466080 0.429040 B\n0.383702 0.033920 0.070960 B\n0.116298 0.533920 0.570960 B\n0.616298 0.966080 0.929040 B\n0.075131 0.921880 0.435767 B\n0.575131 0.578120 0.064233 B\n0.924869 0.078120 0.564233 B\n0.424869 0.421880 0.935767 B\n0.059940 0.155774 0.251230 B\n0.559940 0.344226 0.248770 B\n0.940060 0.844226 0.748770 B\n0.440060 0.655774 0.751230 B\n0.248090 0.650120 0.250713 B\n0.748090 0.849880 0.249287 B\n0.751910 0.349880 0.749287 B\n0.251910 0.150120 0.750713 B\n0.582408 0.796125 0.474716 B\n0.082408 0.703875 0.025284 B\n0.417592 0.203875 0.525284 B\n0.917592 0.296125 0.974716 B\n0.505187 0.701155 0.380879 C\n0.005187 0.798845 0.119121 C\n0.494813 0.298845 0.619121 C\n0.994813 0.201155 0.880879 C\n0.609550 0.785062 0.523969 C\n0.109550 0.714938 0.976031 C\n0.390450 0.214938 0.476031 C\n0.890450 0.285062 0.023969 C\n0.206558 0.601627 0.296896 C\n0.706558 0.898373 0.203104 C\n0.793442 0.398373 0.703104 C\n0.293442 0.101627 0.796896 C\n0.821525 0.398397 0.471558 C\n0.321525 0.101603 0.028442 C\n0.178475 0.601603 0.528442 C\n0.678475 0.898397 0.971558 C\n0.914264 0.508406 0.382128 C\n0.414264 0.991594 0.117872 C\n0.085736 0.491594 0.617872 C\n0.585736 0.008406 0.882128 C\n0.107268 0.897122 0.388050 C\n0.607268 0.602878 0.111950 C\n0.892732 0.102878 0.611950 C\n0.392732 0.397122 0.888050 C\n0.708311 0.103100 0.389361 C\n0.208311 0.396900 0.110639 C\n0.291689 0.896900 0.610639 C\n0.791689 0.603100 0.889361 C\n0.903969 0.500023 0.197484 C\n0.403969 0.999977 0.302516 C\n0.096031 0.499977 0.802516 C\n0.596031 0.000023 0.697484 C\n0.804172 0.802557 0.294395 C\n0.304172 0.697443 0.205605 C\n0.195828 0.197443 0.705605 C\n0.695828 0.302557 0.794395 C\n0.006336 0.197803 0.297006 C\n0.506336 0.302197 0.202994 C\n0.993664 0.802197 0.702994 C\n0.493664 0.697803 0.797006 C\n0.011667 0.992218 0.476948 C\n0.511667 0.507782 0.023052 C\n0.988333 0.007782 0.523052 C\n0.488333 0.492218 0.976948 C\n0.106719 0.102304 0.205987 C\n0.606719 0.397696 0.294013 C\n0.893281 0.897696 0.794013 C\n0.393281 0.602304 0.705987 C\n0.306578 0.299653 0.384876 C\n0.806578 0.200347 0.115124 C\n0.693422 0.700347 0.615124 C\n0.193422 0.799653 0.884876 C\n",
            "nsites": 130,
            "nelements": 3,
            "elements": [
                "Nd",
                "B",
                "C"
            ],
            "chemical_system": "B-C-Nd",
            "density": 6.353266932780659,
            "density_atomic": 0.06110839330250981,
            "volume": 2127.3673381731787,
            "volume_molar": 9.854850429773387,
            "formula_full": "Nd50 B28 C52",
            "formula_reduced": "Nd25(B7C13)2",
            "formula_anonymous": "A14B25C26",
            "energy": -940.33513022,
            "energy_per_atom": -7.233347155538461,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -940.33513022,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 1.3539694,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:30.075000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-1222058",
            "created_at": "2022-09-04T14:48:19.544946Z",
            "structure_string": "Na26 Ge14 Au41\n1.0\n-7.427906 7.433518 7.462108\n7.427906 -7.433518 7.462108\n7.427906 7.433518 -7.462108\nNa Ge Au\n26 14 41\ndirect\n0.000103 0.119941 0.500039 Na\n0.380098 0.880059 0.880162 Na\n0.999897 0.499936 0.119838 Na\n0.619902 0.500064 0.499961 Na\n0.999897 0.880059 0.499961 Na\n0.619902 0.119941 0.119838 Na\n0.000103 0.500064 0.880162 Na\n0.380098 0.499936 0.500039 Na\n0.694939 0.694939 0.000000 Na\n0.305061 0.305061 0.000000 Na\n0.194238 0.000000 0.194238 Na\n0.805762 0.000000 0.805762 Na\n0.500000 0.802267 0.302267 Na\n0.500000 0.197733 0.697733 Na\n0.691142 0.079026 0.387884 Na\n0.308858 0.920974 0.612116 Na\n0.308858 0.696742 0.387884 Na\n0.691142 0.303258 0.612116 Na\n0.800158 0.610919 0.189239 Na\n0.199842 0.389081 0.810761 Na\n0.421680 0.610919 0.810761 Na\n0.578320 0.389081 0.189239 Na\n0.111131 0.810739 0.921870 Na\n0.888869 0.189261 0.078130 Na\n0.111131 0.189261 0.300392 Na\n0.888869 0.810739 0.699608 Na\n0.800896 0.992942 0.192046 Ge\n0.199104 0.007058 0.807954 Ge\n0.199104 0.391150 0.192046 Ge\n0.800896 0.608850 0.807954 Ge\n0.105315 0.805508 0.299807 Ge\n0.894685 0.194492 0.700193 Ge\n0.505701 0.805508 0.700193 Ge\n0.494299 0.194492 0.299807 Ge\n0.307583 0.699297 0.006880 Ge\n0.692417 0.300703 0.993120 Ge\n0.307583 0.300703 0.608286 Ge\n0.692417 0.699297 0.391714 Ge\n0.590085 0.000000 0.590085 Ge\n0.409915 0.000000 0.409915 Ge\n0.957345 0.908557 0.244293 Au\n0.335737 0.091443 0.048789 Au\n0.042655 0.286948 0.951211 Au\n0.664263 0.713052 0.755707 Au\n0.215640 0.759313 0.167850 Au\n0.784360 0.952210 0.543673 Au\n0.591463 0.047790 0.832150 Au\n0.408537 0.240687 0.456327 Au\n0.548695 0.836114 0.091728 Au\n0.744386 0.456968 0.908272 Au\n0.255614 0.163886 0.712582 Au\n0.451305 0.543032 0.287418 Au\n0.042655 0.091443 0.755707 Au\n0.664263 0.908557 0.951211 Au\n0.957345 0.713052 0.048789 Au\n0.335737 0.286948 0.244293 Au\n0.784360 0.240687 0.832150 Au\n0.215640 0.047790 0.456327 Au\n0.408537 0.952210 0.167850 Au\n0.591463 0.759313 0.543673 Au\n0.451305 0.163886 0.908272 Au\n0.255614 0.543032 0.091728 Au\n0.744386 0.836114 0.287418 Au\n0.548695 0.456968 0.712582 Au\n0.896592 0.231275 0.334682 Au\n0.103408 0.768725 0.665318 Au\n0.103408 0.438090 0.334682 Au\n0.896592 0.561910 0.665318 Au\n0.061940 0.664982 0.396958 Au\n0.938060 0.335018 0.603042 Au\n0.268024 0.664982 0.603042 Au\n0.731976 0.335018 0.396958 Au\n0.165230 0.603588 0.768817 Au\n0.834770 0.396412 0.231183 Au\n0.165230 0.396412 0.561642 Au\n0.834770 0.603588 0.438358 Au\n0.000000 0.500000 0.500000 Au\n0.500000 0.407466 0.907466 Au\n0.500000 0.592534 0.092534 Au\n0.092205 0.092205 0.000000 Au\n0.907795 0.907795 0.000000 Au\n",
            "nsites": 81,
            "nelements": 3,
            "elements": [
                "Na",
                "Ge",
                "Au"
            ],
            "chemical_system": "Au-Ge-Na",
            "density": 9.76348913655366,
            "density_atomic": 0.04914764364752982,
            "volume": 1648.0952897946531,
            "volume_molar": 12.253162742020239,
            "formula_full": "Na26 Ge14 Au41",
            "formula_reduced": "Na26Ge14Au41",
            "formula_anonymous": "A14B26C41",
            "energy": -257.87113827,
            "energy_per_atom": -3.18359429962963,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -257.87113827,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.2261589,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:38:58.493000Z",
            "spacegroup": 71
        },
        {
            "id": "mp-1221177",
            "created_at": "2022-09-04T14:42:52.982746Z",
            "structure_string": "Nd28 Cl66\n1.0\n11.153564 0.000000 0.000000\n-3.879277 10.469757 0.000000\n-4.222729 -4.809212 20.167028\nNd Cl\n28 66\ndirect\n0.694174 0.397596 0.544687 Nd\n0.305826 0.602404 0.455313 Nd\n0.924753 0.238024 0.927456 Nd\n0.075247 0.761976 0.072544 Nd\n0.472490 0.550562 0.684821 Nd\n0.527510 0.449438 0.315179 Nd\n0.089784 0.259792 0.570013 Nd\n0.910216 0.740208 0.429987 Nd\n0.137656 0.727708 0.654222 Nd\n0.862344 0.272292 0.345778 Nd\n0.630010 0.458024 0.928929 Nd\n0.369990 0.541976 0.071071 Nd\n0.236496 0.643057 0.881669 Nd\n0.763504 0.356943 0.118331 Nd\n0.857874 0.360772 0.735800 Nd\n0.142126 0.639228 0.264200 Nd\n0.505927 0.978632 0.802633 Nd\n0.494073 0.021368 0.197367 Nd\n0.307850 0.093457 0.967380 Nd\n0.692150 0.906543 0.032620 Nd\n0.860630 0.769166 0.844136 Nd\n0.139370 0.230834 0.155864 Nd\n0.178577 0.135430 0.759785 Nd\n0.821423 0.864570 0.240215 Nd\n0.371464 0.046680 0.577331 Nd\n0.628537 0.953320 0.422669 Nd\n0.751322 0.863806 0.621689 Nd\n0.248678 0.136194 0.378311 Nd\n0.044568 0.063103 0.874336 Cl\n0.955432 0.936897 0.125664 Cl\n0.354280 0.289960 0.885284 Cl\n0.645720 0.710040 0.114716 Cl\n0.031396 0.638129 0.774776 Cl\n0.968604 0.361871 0.225224 Cl\n0.554526 0.607275 0.567708 Cl\n0.445474 0.392725 0.432292 Cl\n0.473199 0.619738 0.960151 Cl\n0.526801 0.380262 0.039849 Cl\n0.244011 0.544794 0.587015 Cl\n0.755989 0.455206 0.412985 Cl\n0.641886 0.204172 0.914794 Cl\n0.358114 0.795828 0.085206 Cl\n0.451190 0.893345 0.932018 Cl\n0.548810 0.106655 0.067982 Cl\n0.960316 0.441213 0.626122 Cl\n0.039684 0.558787 0.373878 Cl\n0.081306 0.356978 0.830886 Cl\n0.918694 0.643022 0.169114 Cl\n0.583570 0.580968 0.822424 Cl\n0.416430 0.419032 0.177576 Cl\n0.762866 0.140065 0.789505 Cl\n0.237134 0.859935 0.210495 Cl\n0.706957 0.501992 0.680571 Cl\n0.293043 0.498008 0.319429 Cl\n0.864654 0.467021 0.018386 Cl\n0.135346 0.532979 0.981614 Cl\n0.118989 0.814722 0.941789 Cl\n0.881011 0.185278 0.058211 Cl\n0.834316 0.492159 0.857493 Cl\n0.165684 0.507841 0.142507 Cl\n0.815066 0.729239 0.976228 Cl\n0.184934 0.270761 0.023772 Cl\n0.265157 0.968975 0.830234 Cl\n0.734843 0.031025 0.169766 Cl\n0.373497 0.303667 0.587247 Cl\n0.626503 0.696333 0.412753 Cl\n0.873089 0.683195 0.563337 Cl\n0.126911 0.316805 0.436663 Cl\n0.142273 0.045265 0.483460 Cl\n0.857727 0.954735 0.516540 Cl\n0.652980 0.187240 0.622777 Cl\n0.347020 0.812760 0.377223 Cl\n0.744000 0.953515 0.903699 Cl\n0.256000 0.046485 0.096301 Cl\n0.341188 0.696549 0.765354 Cl\n0.658812 0.303451 0.234646 Cl\n0.152869 0.980223 0.635346 Cl\n0.847131 0.019777 0.364654 Cl\n0.942114 0.145124 0.670963 Cl\n0.057886 0.854876 0.329037 Cl\n0.661896 0.814244 0.741277 Cl\n0.338104 0.185756 0.258723 Cl\n0.518523 0.870578 0.529057 Cl\n0.481477 0.129422 0.470943 Cl\n0.178712 0.772767 0.517305 Cl\n0.821288 0.227233 0.482695 Cl\n0.414253 0.880936 0.662418 Cl\n0.585747 0.119064 0.337582 Cl\n0.963493 0.869173 0.725402 Cl\n0.036507 0.130827 0.274598 Cl\n0.243796 0.368230 0.709844 Cl\n0.756204 0.631770 0.290156 Cl\n0.443580 0.176210 0.746376 Cl\n0.556420 0.823790 0.253624 Cl\n",
            "nsites": 94,
            "nelements": 2,
            "elements": [
                "Nd",
                "Cl"
            ],
            "chemical_system": "Cl-Nd",
            "density": 4.497667410758433,
            "density_atomic": 0.039914958929858295,
            "volume": 2355.006807477472,
            "volume_molar": 15.087428175944211,
            "formula_full": "Nd28 Cl66",
            "formula_reduced": "Nd14Cl33",
            "formula_anonymous": "A14B33",
            "energy": -481.3252600900001,
            "energy_per_atom": -5.12048149031915,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -440.80126009,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 0.351922,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:53.701000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-674968",
            "created_at": "2022-09-04T14:39:38.167341Z",
            "structure_string": "Ag33 Pb14 O42\n1.0\n8.879979 0.000000 0.000000\n2.739943 8.448325 0.000000\n1.430832 0.970304 19.169981\nAg Pb O\n33 14 42\ndirect\n0.928725 0.430463 0.857965 Ag\n0.212929 0.215413 0.929935 Ag\n0.042162 0.041729 0.819455 Ag\n0.428443 0.928985 0.857180 Ag\n0.358131 0.856945 0.713717 Ag\n0.641730 0.642759 0.785990 Ag\n0.470921 0.471100 0.677936 Ag\n0.857586 0.358189 0.713712 Ag\n0.784094 0.288916 0.571247 Ag\n0.820156 0.812610 0.896405 Ag\n0.071693 0.071553 0.642683 Ag\n0.899217 0.899290 0.533233 Ag\n0.289015 0.783992 0.571189 Ag\n0.215906 0.711084 0.428753 Ag\n0.243477 0.243181 0.752583 Ag\n0.328443 0.328682 0.393212 Ag\n0.710985 0.216008 0.428811 Ag\n0.641869 0.143055 0.286283 Ag\n0.671557 0.671318 0.606788 Ag\n0.928307 0.928447 0.357317 Ag\n0.756523 0.756819 0.247417 Ag\n0.142414 0.641811 0.286288 Ag\n0.071275 0.569537 0.142035 Ag\n0.100783 0.100710 0.466767 Ag\n0.358270 0.357241 0.214010 Ag\n0.179844 0.187390 0.103595 Ag\n0.571557 0.071015 0.142820 Ag\n0.500000 0.000000 0.000000 Ag\n0.529079 0.528900 0.322064 Ag\n0.787071 0.784587 0.070065 Ag\n0.612416 0.614082 0.962155 Ag\n0.957838 0.958271 0.180545 Ag\n0.387584 0.385918 0.037845 Ag\n0.256453 0.596427 0.859314 Pb\n0.595544 0.263024 0.858042 Pb\n0.689583 0.024338 0.713620 Pb\n0.024829 0.689475 0.713872 Pb\n0.124686 0.451428 0.569782 Pb\n0.451462 0.124942 0.569768 Pb\n0.548538 0.875058 0.430232 Pb\n0.875314 0.548572 0.430218 Pb\n0.975171 0.310525 0.286128 Pb\n0.310417 0.975662 0.286380 Pb\n0.404456 0.736976 0.141958 Pb\n0.743547 0.403573 0.140686 Pb\n0.836718 0.170500 0.000966 Pb\n0.163282 0.829500 0.999034 Pb\n0.368414 0.743322 0.918878 O\n0.113677 0.490280 0.795501 O\n0.362365 0.364570 0.920749 O\n0.489176 0.494384 0.796174 O\n0.744059 0.368898 0.919349 O\n0.490291 0.114536 0.795630 O\n0.795204 0.172349 0.775638 O\n0.541626 0.922027 0.650820 O\n0.792020 0.793204 0.777014 O\n0.921771 0.920991 0.651416 O\n0.172415 0.794488 0.775792 O\n0.921643 0.542120 0.651075 O\n0.226847 0.599807 0.632775 O\n0.970773 0.347969 0.509897 O\n0.221079 0.221879 0.635013 O\n0.347635 0.347055 0.508234 O\n0.599785 0.226723 0.632973 O\n0.347632 0.970875 0.510061 O\n0.652368 0.029125 0.489939 O\n0.400215 0.773277 0.367027 O\n0.652365 0.652945 0.491766 O\n0.778921 0.778121 0.364987 O\n0.029227 0.652031 0.490103 O\n0.773153 0.400193 0.367225 O\n0.078357 0.457880 0.348925 O\n0.827585 0.205512 0.224208 O\n0.078229 0.079009 0.348584 O\n0.207980 0.206796 0.222986 O\n0.458374 0.077973 0.349180 O\n0.204796 0.827651 0.224362 O\n0.509709 0.885464 0.204370 O\n0.255941 0.631102 0.080651 O\n0.510824 0.505616 0.203826 O\n0.637635 0.635430 0.079251 O\n0.886323 0.509720 0.204499 O\n0.631586 0.256678 0.081122 O\n0.938923 0.310494 0.062839 O\n0.687913 0.063864 0.939294 O\n0.935056 0.935943 0.062441 O\n0.064944 0.064057 0.937559 O\n0.312087 0.936136 0.060706 O\n0.061077 0.689506 0.937161 O\n",
            "nsites": 89,
            "nelements": 3,
            "elements": [
                "Ag",
                "Pb",
                "O"
            ],
            "chemical_system": "Ag-O-Pb",
            "density": 8.2353507680394,
            "density_atomic": 0.06188505382715826,
            "volume": 1438.1501589797817,
            "volume_molar": 9.731171563362498,
            "formula_full": "Ag33 Pb14 O42",
            "formula_reduced": "Ag33(PbO3)14",
            "formula_anonymous": "A14B33C42",
            "energy": -425.78327881,
            "energy_per_atom": -4.784081784382023,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -396.92927881,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.422051,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:39.529000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-1200162",
            "created_at": "2022-09-04T14:48:17.540656Z",
            "structure_string": "C164 F56\n1.0\n-0.000000 -10.222432 0.000000\n8.680877 -5.111216 -2.674675\n8.667871 -5.111216 25.490215\nC F\n164 56\ndirect\n0.176421 0.472092 0.348530 C\n0.997043 0.027908 0.151470 C\n0.823579 0.527908 0.651470 C\n0.002957 0.972092 0.848530 C\n0.304273 0.402525 0.310689 C\n0.017487 0.097475 0.189311 C\n0.695727 0.597475 0.689311 C\n0.982513 0.902525 0.810689 C\n0.996820 0.489259 0.296480 C\n0.782558 0.010741 0.203520 C\n0.003180 0.510741 0.703520 C\n0.217442 0.989259 0.796480 C\n0.027292 0.509179 0.342545 C\n0.879016 0.990821 0.157455 C\n0.972708 0.490821 0.657455 C\n0.120984 0.009179 0.842545 C\n0.911226 0.628625 0.379642 C\n0.919493 0.871375 0.120358 C\n0.088774 0.371375 0.620358 C\n0.080507 0.128625 0.879642 C\n0.012457 0.680266 0.397216 C\n0.089940 0.819734 0.102784 C\n0.987543 0.319734 0.602784 C\n0.910060 0.180266 0.897216 C\n0.168358 0.575725 0.381546 C\n0.125629 0.924275 0.118454 C\n0.831642 0.424275 0.618454 C\n0.874371 0.075725 0.881546 C\n0.282546 0.615064 0.374817 C\n0.272427 0.884936 0.125183 C\n0.717454 0.384936 0.625183 C\n0.727573 0.115064 0.874817 C\n0.406868 0.554954 0.334035 C\n0.295857 0.945046 0.165965 C\n0.593132 0.445046 0.665965 C\n0.704143 0.054954 0.834035 C\n0.423068 0.446048 0.303117 C\n0.172234 0.053952 0.196883 C\n0.576932 0.553952 0.696883 C\n0.827766 0.946048 0.803117 C\n0.863633 0.606935 0.275661 C\n0.746229 0.893065 0.224339 C\n0.136367 0.393065 0.724339 C\n0.253771 0.106935 0.775661 C\n0.773670 0.737800 0.302319 C\n0.813789 0.762200 0.197681 C\n0.226330 0.262200 0.697681 C\n0.186211 0.237800 0.802319 C\n0.800059 0.756863 0.350887 C\n0.907809 0.743137 0.149113 C\n0.199941 0.243137 0.649113 C\n0.092191 0.256863 0.850887 C\n0.758498 0.902088 0.355995 C\n0.016581 0.597912 0.144005 C\n0.241502 0.097912 0.644005 C\n0.983419 0.402088 0.855995 C\n0.818870 0.957239 0.390875 C\n0.166983 0.542761 0.109125 C\n0.181130 0.042761 0.609125 C\n0.833017 0.457239 0.890875 C\n0.971906 0.825507 0.402608 C\n0.200021 0.674493 0.097392 C\n0.028094 0.174493 0.597392 C\n0.799979 0.325507 0.902608 C\n0.087955 0.869899 0.392805 C\n0.350659 0.630101 0.107195 C\n0.912045 0.130101 0.607195 C\n0.649341 0.369899 0.892805 C\n0.241943 0.765740 0.380530 C\n0.388213 0.734260 0.119470 C\n0.758057 0.234260 0.619470 C\n0.611787 0.265740 0.880530 C\n0.340469 0.800094 0.342463 C\n0.483025 0.699906 0.157537 C\n0.659531 0.199906 0.657537 C\n0.516975 0.300094 0.842463 C\n0.443037 0.669164 0.314161 C\n0.426362 0.830836 0.185839 C\n0.556963 0.330836 0.685839 C\n0.573638 0.169164 0.814161 C\n0.497100 0.677365 0.262637 C\n0.437102 0.822635 0.237363 C\n0.502900 0.322635 0.737363 C\n0.562898 0.177365 0.762637 C\n0.714221 0.878660 0.276860 C\n0.869741 0.621340 0.223140 C\n0.285779 0.121340 0.723140 C\n0.130259 0.378660 0.776860 C\n0.707399 0.980635 0.309865 C\n0.997898 0.519365 0.190135 C\n0.292601 0.019365 0.690135 C\n0.002102 0.480635 0.809865 C\n0.740678 0.091153 0.290532 C\n0.122362 0.408847 0.209468 C\n0.259322 0.908847 0.709468 C\n0.877638 0.591153 0.790532 C\n0.827865 0.131081 0.316613 C\n0.275559 0.368919 0.183387 C\n0.172135 0.868919 0.683387 C\n0.724441 0.631081 0.816613 C\n0.876441 0.060771 0.361162 C\n0.298374 0.439229 0.138838 C\n0.123559 0.939229 0.638838 C\n0.701626 0.560771 0.861162 C\n0.029313 0.013207 0.367812 C\n0.410332 0.486793 0.132188 C\n0.970687 0.986793 0.632188 C\n0.589668 0.513207 0.867812 C\n0.126724 0.046788 0.331471 C\n0.504984 0.453212 0.168529 C\n0.873276 0.953212 0.668529 C\n0.495016 0.546788 0.831471 C\n0.284334 0.937712 0.318556 C\n0.540602 0.562288 0.181444 C\n0.715666 0.062288 0.681444 C\n0.459398 0.437712 0.818556 C\n0.329056 0.948691 0.265366 C\n0.543113 0.551309 0.234634 C\n0.670944 0.051309 0.734634 C\n0.456887 0.448691 0.765366 C\n0.784773 0.102704 0.237570 C\n0.125047 0.397296 0.262430 C\n0.215227 0.897296 0.762430 C\n0.874953 0.602704 0.737570 C\n0.899643 0.147151 0.230312 C\n0.277106 0.352849 0.269688 C\n0.100357 0.852849 0.769688 C\n0.722894 0.647151 0.730312 C\n0.927019 0.163609 0.278775 C\n0.369403 0.336391 0.221225 C\n0.072981 0.836391 0.721225 C\n0.630597 0.663609 0.778775 C\n0.073832 0.122680 0.286077 C\n0.482589 0.377320 0.213923 C\n0.926168 0.877320 0.713923 C\n0.517411 0.622680 0.786077 C\n0.198207 0.062664 0.245337 C\n0.506209 0.437335 0.254663 C\n0.801793 0.937335 0.754663 C\n0.493791 0.562665 0.745337 C\n0.833553 0.568106 0.424967 C\n0.826625 0.931894 0.075033 C\n0.166447 0.431895 0.575033 C\n0.173375 0.068105 0.924967 C\n0.942645 0.412448 0.445453 C\n0.800546 0.087552 0.054547 C\n0.057355 0.587552 0.554547 C\n0.199454 0.912448 0.945453 C\n0.688754 0.570093 0.413964 C\n0.672811 0.929907 0.086036 C\n0.311246 0.429907 0.586036 C\n0.327189 0.070093 0.913964 C\n0.696561 0.029910 0.438141 C\n0.164613 0.470090 0.061859 C\n0.303439 0.970090 0.561859 C\n0.835387 0.529910 0.938141 C\n0.766316 0.038068 0.482934 C\n0.287317 0.461932 0.017066 C\n0.233684 0.961932 0.517066 C\n0.712683 0.538068 0.982934 C\n0.564093 0.184141 0.426522 C\n0.174756 0.315859 0.073478 C\n0.435907 0.815859 0.573478 C\n0.825244 0.684141 0.926522 C\n0.785134 0.661234 0.464342 F\n0.910710 0.838766 0.035658 F\n0.214866 0.338766 0.535658 F\n0.089290 0.161234 0.964342 F\n0.879384 0.383694 0.490484 F\n0.753562 0.116306 0.009516 F\n0.120616 0.616306 0.509516 F\n0.246438 0.883694 0.990484 F\n0.075385 0.403872 0.451522 F\n0.930779 0.096128 0.048478 F\n0.924615 0.596128 0.548478 F\n0.069221 0.903872 0.951522 F\n0.974594 0.305038 0.414238 F\n0.693870 0.194962 0.085762 F\n0.025406 0.694962 0.585762 F\n0.306130 0.805038 0.914238 F\n0.630604 0.508332 0.451844 F\n0.590779 0.991668 0.048156 F\n0.369396 0.491668 0.548156 F\n0.409221 0.008332 0.951844 F\n0.720814 0.495314 0.371958 F\n0.588087 0.004686 0.128042 F\n0.279186 0.504686 0.628042 F\n0.411913 0.995314 0.871958 F\n0.578973 0.710514 0.407463 F\n0.696950 0.789486 0.092537 F\n0.421027 0.289486 0.592537 F\n0.303050 0.210514 0.907463 F\n0.627884 0.943024 0.454888 F\n0.025796 0.556976 0.045112 F\n0.372116 0.056976 0.545112 F\n0.974204 0.443024 0.954888 F\n0.854643 0.900356 0.500612 F\n0.255611 0.599644 0.999388 F\n0.145357 0.099644 0.499388 F\n0.744389 0.400356 0.000612 F\n0.657384 0.112866 0.520973 F\n0.291223 0.387134 0.979027 F\n0.342616 0.887134 0.479027 F\n0.708777 0.612866 0.020973 F\n0.852901 0.105832 0.469497 F\n0.428231 0.394168 0.030503 F\n0.147099 0.894168 0.530503 F\n0.571769 0.605832 0.969497 F\n0.446317 0.227790 0.464016 F\n0.138123 0.272210 0.035984 F\n0.553683 0.772210 0.535984 F\n0.861877 0.727790 0.964016 F\n0.610284 0.287759 0.418606 F\n0.316649 0.212241 0.081394 F\n0.389716 0.712241 0.581394 F\n0.683351 0.787759 0.918606 F\n0.509934 0.180561 0.385196 F\n0.075690 0.319439 0.114804 F\n0.490066 0.819439 0.614804 F\n0.924310 0.680561 0.885196 F\n",
            "nsites": 220,
            "nelements": 2,
            "elements": [
                "C",
                "F"
            ],
            "chemical_system": "C-F",
            "density": 2.0158242997358444,
            "density_atomic": 0.08803565182009347,
            "volume": 2498.9875743702582,
            "volume_molar": 6.840570422885756,
            "formula_full": "C164 F56",
            "formula_reduced": "C41F14",
            "formula_anonymous": "A14B41",
            "energy": -1711.77848231,
            "energy_per_atom": -7.780811283227273,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -1685.90648231,
            "band_gap": 1.2278000000000002,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0011826,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:39:00.444000Z",
            "spacegroup": 15
        },
        {
            "id": "mp-1219385",
            "created_at": "2022-09-04T14:46:39.195217Z",
            "structure_string": "Sm14 Au51\n1.0\n6.464091 -11.196134 0.000000\n6.464091 11.196134 0.000000\n0.000000 0.000000 9.357153\nSm Au\n14 51\ndirect\n0.342818 0.869107 0.500000 Sm\n0.130893 0.473711 0.500000 Sm\n0.526289 0.657182 0.500000 Sm\n0.990978 0.799221 0.500000 Sm\n0.200779 0.191757 0.500000 Sm\n0.808243 0.009022 0.500000 Sm\n0.937216 0.219139 0.000000 Sm\n0.780861 0.718078 0.000000 Sm\n0.281922 0.062784 0.000000 Sm\n0.384598 0.451969 0.000000 Sm\n0.548031 0.932629 0.000000 Sm\n0.067371 0.615402 0.000000 Sm\n0.666667 0.333333 0.297962 Sm\n0.666667 0.333333 0.702038 Sm\n0.288887 0.840064 0.152627 Au\n0.159936 0.448823 0.152627 Au\n0.551177 0.711113 0.152627 Au\n0.047771 0.830783 0.150480 Au\n0.169217 0.216988 0.150480 Au\n0.783012 0.952229 0.150480 Au\n0.047771 0.830783 0.849520 Au\n0.169217 0.216988 0.849520 Au\n0.783012 0.952229 0.849520 Au\n0.288887 0.840064 0.847373 Au\n0.159936 0.448823 0.847373 Au\n0.551177 0.711113 0.847373 Au\n0.333333 0.666667 0.000000 Au\n0.000000 0.000000 0.000000 Au\n0.003470 0.228500 0.336104 Au\n0.771500 0.774970 0.336104 Au\n0.225030 0.996530 0.336104 Au\n0.327677 0.437656 0.337272 Au\n0.562344 0.890021 0.337272 Au\n0.109979 0.672323 0.337272 Au\n0.327677 0.437656 0.662728 Au\n0.562344 0.890021 0.662728 Au\n0.109979 0.672323 0.662728 Au\n0.003470 0.228500 0.663896 Au\n0.771500 0.774970 0.663896 Au\n0.225030 0.996530 0.663896 Au\n0.743330 0.138681 0.235978 Au\n0.861319 0.604649 0.235978 Au\n0.395351 0.256670 0.235978 Au\n0.594642 0.526308 0.228161 Au\n0.473692 0.068334 0.228161 Au\n0.931666 0.405358 0.228161 Au\n0.594642 0.526308 0.771839 Au\n0.473692 0.068334 0.771839 Au\n0.931666 0.405358 0.771839 Au\n0.743330 0.138681 0.764022 Au\n0.861319 0.604649 0.764022 Au\n0.395351 0.256670 0.764022 Au\n0.333333 0.666667 0.309643 Au\n0.000000 0.000000 0.309422 Au\n0.000000 0.000000 0.690578 Au\n0.333333 0.666667 0.690357 Au\n0.843542 0.273059 0.500000 Au\n0.726941 0.570483 0.500000 Au\n0.429517 0.156458 0.500000 Au\n0.489387 0.395139 0.500000 Au\n0.604861 0.094248 0.500000 Au\n0.905752 0.510613 0.500000 Au\n0.641158 0.194908 0.000000 Au\n0.805092 0.446250 0.000000 Au\n0.553750 0.358842 0.000000 Au\n",
            "nsites": 65,
            "nelements": 2,
            "elements": [
                "Sm",
                "Au"
            ],
            "chemical_system": "Au-Sm",
            "density": 14.896631494380589,
            "density_atomic": 0.04799147310738611,
            "volume": 1354.407268444448,
            "volume_molar": 12.548355718368573,
            "formula_full": "Sm14 Au51",
            "formula_reduced": "Sm14Au51",
            "formula_anonymous": "A14B51",
            "energy": -273.46110967,
            "energy_per_atom": -4.207093994923077,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -273.46110967,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.1389888,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:49.272000Z",
            "spacegroup": 174
        },
        {
            "id": "mp-1224563",
            "created_at": "2022-09-04T14:43:34.608254Z",
            "structure_string": "Ho14 Ag51\n1.0\n6.368370 -11.030341 0.000000\n6.368370 11.030341 0.000000\n0.000000 0.000000 9.384828\nHo Ag\n14 51\ndirect\n0.134252 0.661696 0.500000 Ho\n0.527444 0.865748 0.500000 Ho\n0.338304 0.472556 0.500000 Ho\n0.198460 0.005215 0.500000 Ho\n0.806754 0.801540 0.500000 Ho\n0.994785 0.193246 0.500000 Ho\n0.780219 0.059166 0.000000 Ho\n0.278947 0.219781 0.000000 Ho\n0.940834 0.721053 0.000000 Ho\n0.550782 0.614451 0.000000 Ho\n0.063669 0.449218 0.000000 Ho\n0.385549 0.936331 0.000000 Ho\n0.666667 0.333333 0.691985 Ho\n0.666667 0.333333 0.308015 Ho\n0.770713 0.998044 0.667042 Ag\n0.227331 0.229287 0.667042 Ag\n0.001956 0.772669 0.667042 Ag\n0.562175 0.669024 0.666793 Ag\n0.106849 0.437825 0.666793 Ag\n0.330976 0.893151 0.666793 Ag\n0.562175 0.669024 0.333207 Ag\n0.106849 0.437825 0.333207 Ag\n0.330976 0.893151 0.333207 Ag\n0.770713 0.998044 0.332958 Ag\n0.227331 0.229287 0.332958 Ag\n0.001956 0.772669 0.332958 Ag\n0.159768 0.711089 0.848072 Ag\n0.551321 0.840232 0.848072 Ag\n0.288911 0.448679 0.848072 Ag\n0.171595 0.954053 0.848713 Ag\n0.782458 0.828405 0.848713 Ag\n0.045947 0.217542 0.848713 Ag\n0.171595 0.954053 0.151287 Ag\n0.782458 0.828405 0.151287 Ag\n0.045947 0.217542 0.151287 Ag\n0.159768 0.711089 0.151928 Ag\n0.551321 0.840232 0.151928 Ag\n0.288911 0.448679 0.151928 Ag\n0.726314 0.154859 0.500000 Ag\n0.428546 0.273686 0.500000 Ag\n0.845141 0.571454 0.500000 Ag\n0.606235 0.511495 0.500000 Ag\n0.905260 0.393765 0.500000 Ag\n0.488505 0.094740 0.500000 Ag\n0.333333 0.666667 0.000000 Ag\n0.000000 0.000000 0.000000 Ag\n0.858281 0.255694 0.760172 Ag\n0.397413 0.141719 0.760172 Ag\n0.744306 0.602587 0.760172 Ag\n0.477725 0.407921 0.768652 Ag\n0.930197 0.522275 0.768652 Ag\n0.592079 0.069803 0.768652 Ag\n0.477725 0.407921 0.231348 Ag\n0.930197 0.522275 0.231348 Ag\n0.592079 0.069803 0.231348 Ag\n0.858281 0.255694 0.239828 Ag\n0.397413 0.141719 0.239828 Ag\n0.744306 0.602587 0.239828 Ag\n0.333333 0.666667 0.696700 Ag\n0.000000 0.000000 0.696980 Ag\n0.000000 0.000000 0.303020 Ag\n0.333333 0.666667 0.303300 Ag\n0.796667 0.341490 0.000000 Ag\n0.544823 0.203333 0.000000 Ag\n0.658510 0.455177 0.000000 Ag\n",
            "nsites": 65,
            "nelements": 2,
            "elements": [
                "Ho",
                "Ag"
            ],
            "chemical_system": "Ag-Ho",
            "density": 9.836564013240249,
            "density_atomic": 0.04929919376302629,
            "volume": 1318.479979864277,
            "volume_molar": 12.215495427668682,
            "formula_full": "Ho14 Ag51",
            "formula_reduced": "Ho14Ag51",
            "formula_anonymous": "A14B51",
            "energy": -224.16232658,
            "energy_per_atom": -3.4486511781538463,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -224.16232658,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.4652404,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:18.666000Z",
            "spacegroup": 174
        },
        {
            "id": "mp-1216365",
            "created_at": "2022-09-04T14:47:27.412037Z",
            "structure_string": "Y14 Ag51\n1.0\n6.397118 -11.080133 0.000000\n6.397118 11.080133 0.000000\n0.000000 0.000000 9.390105\nY Ag\n14 51\ndirect\n0.133303 0.471105 0.500000 Y\n0.528895 0.662198 0.500000 Y\n0.337802 0.866697 0.500000 Y\n0.199198 0.193875 0.500000 Y\n0.806125 0.005323 0.500000 Y\n0.994677 0.800802 0.500000 Y\n0.779614 0.717393 0.000000 Y\n0.282607 0.062221 0.000000 Y\n0.937779 0.220386 0.000000 Y\n0.548859 0.932241 0.000000 Y\n0.067759 0.616618 0.000000 Y\n0.383382 0.451141 0.000000 Y\n0.666667 0.333333 0.306486 Y\n0.666667 0.333333 0.693514 Y\n0.159504 0.448327 0.152345 Ag\n0.551673 0.711178 0.152345 Ag\n0.288822 0.840496 0.152345 Ag\n0.170800 0.217518 0.151401 Ag\n0.782482 0.953283 0.151401 Ag\n0.046717 0.829200 0.151401 Ag\n0.170800 0.217518 0.848599 Ag\n0.782482 0.953283 0.848599 Ag\n0.046717 0.829200 0.848599 Ag\n0.159504 0.448327 0.847655 Ag\n0.551673 0.711178 0.847655 Ag\n0.288822 0.840496 0.847655 Ag\n0.726127 0.570972 0.500000 Ag\n0.429028 0.155154 0.500000 Ag\n0.844846 0.273873 0.500000 Ag\n0.607121 0.094933 0.500000 Ag\n0.905067 0.512188 0.500000 Ag\n0.487812 0.392879 0.500000 Ag\n0.333333 0.666667 0.000000 Ag\n0.000000 0.000000 0.000000 Ag\n0.771803 0.772167 0.332616 Ag\n0.227833 0.999636 0.332616 Ag\n0.000364 0.228197 0.332616 Ag\n0.561178 0.892859 0.333269 Ag\n0.107141 0.668319 0.333269 Ag\n0.331681 0.438822 0.333269 Ag\n0.561178 0.892859 0.666731 Ag\n0.107141 0.668319 0.666731 Ag\n0.331681 0.438822 0.666731 Ag\n0.771803 0.772167 0.667384 Ag\n0.227833 0.999636 0.667384 Ag\n0.000364 0.228197 0.667384 Ag\n0.859392 0.602644 0.239343 Ag\n0.397356 0.256748 0.239343 Ag\n0.743252 0.140608 0.239343 Ag\n0.477041 0.069291 0.232128 Ag\n0.930709 0.407751 0.232128 Ag\n0.592249 0.522959 0.232128 Ag\n0.477041 0.069291 0.767872 Ag\n0.930709 0.407751 0.767872 Ag\n0.592249 0.522959 0.767872 Ag\n0.859392 0.602644 0.760657 Ag\n0.397356 0.256748 0.760657 Ag\n0.743252 0.140608 0.760657 Ag\n0.333333 0.666667 0.303119 Ag\n0.000000 0.000000 0.302532 Ag\n0.000000 0.000000 0.697468 Ag\n0.333333 0.666667 0.696881 Ag\n0.801112 0.447932 0.000000 Ag\n0.552068 0.353180 0.000000 Ag\n0.646820 0.198888 0.000000 Ag\n",
            "nsites": 65,
            "nelements": 2,
            "elements": [
                "Y",
                "Ag"
            ],
            "chemical_system": "Ag-Y",
            "density": 8.415173727660573,
            "density_atomic": 0.04882964616329449,
            "volume": 1331.1585298535472,
            "volume_molar": 12.33296006254265,
            "formula_full": "Y14 Ag51",
            "formula_reduced": "Y14Ag51",
            "formula_anonymous": "A14B51",
            "energy": -251.20829067,
            "energy_per_atom": -3.8647429333846155,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -251.20829067,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0949482,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:38:08.662000Z",
            "spacegroup": 174
        }
    ]
}