GET /third-parties/MatprojStructure/?format=api&ordering=-chemical_system&page=51
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=52",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-chemical_system&page=50",
    "results": [
        {
            "id": "mp-1245197",
            "created_at": "2022-09-04T14:47:04.655808Z",
            "structure_string": "Zn50 S50\n1.0\n13.846688 -0.450528 -0.239406\n-0.429982 12.375967 0.422482\n-0.221103 0.448969 14.188749\nZn S\n50 50\ndirect\n0.562784 0.944524 0.553803 Zn\n0.385545 0.540310 0.934753 Zn\n0.852482 0.255483 0.795886 Zn\n0.640473 0.353954 0.940541 Zn\n0.017713 0.094449 0.427205 Zn\n0.577843 0.210109 0.463931 Zn\n0.850090 0.826084 0.524737 Zn\n0.624217 0.868027 0.110013 Zn\n0.424605 0.265544 0.634527 Zn\n0.760541 0.032995 0.949915 Zn\n0.664007 0.417655 0.636436 Zn\n0.629546 0.087002 0.041438 Zn\n0.822317 0.508533 0.117807 Zn\n0.957735 0.972526 0.742188 Zn\n0.441241 0.488925 0.779203 Zn\n0.627754 0.597544 0.245851 Zn\n0.040936 0.863274 0.553156 Zn\n0.141901 0.844315 0.065363 Zn\n0.083628 0.159427 0.135359 Zn\n0.350493 0.830914 0.466184 Zn\n0.032438 0.204498 0.911200 Zn\n0.624150 0.163550 0.754997 Zn\n0.703645 0.416754 0.401724 Zn\n0.732774 0.911777 0.726276 Zn\n0.325130 0.986758 0.908919 Zn\n0.142363 0.666912 0.909210 Zn\n0.812628 0.634621 0.551446 Zn\n0.399732 0.550826 0.208812 Zn\n0.793069 0.077035 0.435450 Zn\n0.389917 0.281365 0.926612 Zn\n0.128891 0.968137 0.258975 Zn\n0.019639 0.571451 0.545999 Zn\n0.168622 0.521892 0.394935 Zn\n0.193316 0.299403 0.055939 Zn\n0.072326 0.503832 0.128569 Zn\n0.354756 0.966238 0.074961 Zn\n0.551485 0.016918 0.303401 Zn\n0.894614 0.543523 0.882202 Zn\n0.249240 0.042866 0.621032 Zn\n0.154170 0.306826 0.235984 Zn\n0.485459 0.534339 0.456276 Zn\n0.594933 0.593855 0.025490 Zn\n0.205620 0.294411 0.653528 Zn\n0.947738 0.534708 0.300665 Zn\n0.967758 0.211873 0.586362 Zn\n0.285129 0.798988 0.705004 Zn\n0.853927 0.859998 0.257176 Zn\n0.953946 0.697242 0.965841 Zn\n0.134178 0.528192 0.710172 Zn\n0.944717 0.787850 0.694471 Zn\n0.515877 0.991872 0.146619 S\n0.160728 0.131118 0.983638 S\n0.542530 0.375233 0.397326 S\n0.952091 0.362435 0.956265 S\n0.090328 0.328957 0.765784 S\n0.900522 0.092844 0.857348 S\n0.088254 0.444424 0.976012 S\n0.730692 0.501930 0.978712 S\n0.736778 0.957090 0.567771 S\n0.975171 0.602806 0.697037 S\n0.756073 0.743888 0.801709 S\n0.421961 0.697856 0.647115 S\n0.340640 0.382866 0.035770 S\n0.753223 0.786842 0.936920 S\n0.042973 0.642623 0.396043 S\n0.666628 0.145045 0.346561 S\n0.602114 0.771992 0.969711 S\n0.350776 0.660296 0.063289 S\n0.362507 0.650118 0.517063 S\n0.647529 0.000781 0.823822 S\n0.777545 0.504397 0.275628 S\n0.706554 0.328521 0.781530 S\n0.060341 0.068253 0.620225 S\n-0.000032 0.382936 0.238785 S\n0.257106 0.458759 0.282213 S\n0.218521 0.869664 0.555736 S\n0.495914 0.651374 0.322272 S\n0.790663 0.447214 0.540487 S\n0.539567 0.206655 0.939015 S\n0.958180 0.341857 0.689664 S\n0.243586 0.633715 0.793812 S\n0.068841 0.832295 0.918675 S\n0.506885 0.450261 0.626538 S\n0.939972 0.054427 0.137270 S\n0.895296 0.941662 0.392063 S\n0.149837 0.455118 0.557688 S\n0.454167 0.973240 0.427520 S\n0.720041 0.770397 0.205891 S\n0.343601 0.310137 0.770854 S\n0.152932 0.111821 0.343705 S\n0.539189 0.482676 0.142505 S\n0.200480 0.650492 0.067530 S\n0.247327 0.891091 0.185028 S\n0.334813 0.967419 0.753594 S\n0.556314 0.771810 0.630029 S\n0.952963 0.634891 0.126096 S\n0.286795 0.209067 0.547505 S\n0.906451 0.223925 0.440190 S\n0.542185 0.138210 0.612438 S\n0.993482 0.900435 0.168213 S\n",
            "nsites": 100,
            "nelements": 2,
            "elements": [
                "Zn",
                "S"
            ],
            "chemical_system": "S-Zn",
            "density": 3.3365784248245878,
            "density_atomic": 0.04122811198476839,
            "volume": 2425.529455167501,
            "volume_molar": 14.606879796544801,
            "formula_full": "Zn50 S50",
            "formula_reduced": "ZnS",
            "formula_anonymous": "AB",
            "energy": -330.62365955,
            "energy_per_atom": -3.3062365955,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -305.47365955,
            "band_gap": 0.8603999999999998,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:51.687000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-556152",
            "created_at": "2022-09-04T14:47:25.020832Z",
            "structure_string": "Zn18 S18\n1.0\n1.926980 -3.337627 0.000000\n1.926980 3.337627 0.000000\n0.000000 0.000000 56.689445\nZn S\n18 18\ndirect\n0.000000 0.000000 0.166668 Zn\n0.666667 0.333333 0.277774 Zn\n0.000000 0.000000 0.388891 Zn\n0.333333 0.666667 0.333344 Zn\n0.333333 0.666667 0.055561 Zn\n0.333333 0.666667 0.611125 Zn\n0.666667 0.333333 0.111113 Zn\n0.000000 0.000000 0.000013 Zn\n0.666667 0.333333 0.444443 Zn\n0.333333 0.666667 0.222217 Zn\n0.000000 0.000000 0.555558 Zn\n0.000000 0.000000 0.722219 Zn\n0.666667 0.333333 0.777792 Zn\n0.666667 0.333333 0.944439 Zn\n0.333333 0.666667 0.833333 Zn\n0.666667 0.333333 0.666662 Zn\n0.333333 0.666667 0.499996 Zn\n0.000000 0.000000 0.888886 Zn\n0.666667 0.333333 0.708298 S\n0.333333 0.666667 0.874999 S\n0.333333 0.666667 0.541634 S\n0.000000 0.000000 0.041668 S\n0.666667 0.333333 0.486107 S\n0.000000 0.000000 0.930522 S\n0.000000 0.000000 0.597260 S\n0.666667 0.333333 0.152779 S\n0.333333 0.666667 0.097228 S\n0.666667 0.333333 0.986143 S\n0.666667 0.333333 0.819445 S\n0.000000 0.000000 0.430557 S\n0.333333 0.666667 0.263854 S\n0.333333 0.666667 0.652775 S\n0.333333 0.666667 0.374996 S\n0.000000 0.000000 0.763923 S\n0.666667 0.333333 0.319476 S\n0.000000 0.000000 0.208330 S\n",
            "nsites": 36,
            "nelements": 2,
            "elements": [
                "Zn",
                "S"
            ],
            "chemical_system": "S-Zn",
            "density": 3.9954268416945675,
            "density_atomic": 0.04936910939385251,
            "volume": 729.2009202111059,
            "volume_molar": 12.198196066202247,
            "formula_full": "Zn18 S18",
            "formula_reduced": "ZnS",
            "formula_anonymous": "AB",
            "energy": -135.36836560999998,
            "energy_per_atom": -3.760232378055555,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -126.31436561,
            "band_gap": 2.0263,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 3.53e-05,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:38:11.509000Z",
            "spacegroup": 156
        },
        {
            "id": "mp-1244890",
            "created_at": "2022-09-04T14:44:59.687000Z",
            "structure_string": "Zn50 S50\n1.0\n12.311392 0.849521 0.332694\n0.828394 15.298600 0.796408\n0.285984 0.781466 13.385105\nZn S\n50 50\ndirect\n0.446879 0.902803 0.836750 Zn\n0.448883 0.252349 0.101036 Zn\n0.669199 0.046606 0.937017 Zn\n0.668535 0.325693 0.935201 Zn\n0.059395 0.329773 0.300818 Zn\n0.759559 0.261263 0.569030 Zn\n0.631699 0.840544 0.601994 Zn\n0.902928 0.968620 0.101374 Zn\n0.315676 0.100303 0.598469 Zn\n0.594245 0.783132 0.883048 Zn\n0.616493 0.458160 0.549231 Zn\n0.655246 0.072163 0.190800 Zn\n0.608356 0.577344 0.022063 Zn\n0.976235 0.027931 0.904226 Zn\n0.235063 0.627238 0.934338 Zn\n0.599123 0.405567 0.289506 Zn\n0.118505 0.975702 0.419459 Zn\n0.102161 0.694875 0.211010 Zn\n0.936259 0.058581 0.378882 Zn\n0.190756 0.007736 0.706929 Zn\n0.895006 0.405089 0.898062 Zn\n0.749771 0.232065 0.756931 Zn\n0.798846 0.366402 0.321335 Zn\n0.628655 0.059694 0.474348 Zn\n0.285868 0.111800 0.937773 Zn\n0.241421 0.762950 0.640637 Zn\n0.916534 0.769334 0.725904 Zn\n0.534197 0.746104 0.146722 Zn\n0.842237 0.979269 0.617666 Zn\n0.495808 0.255034 0.802686 Zn\n0.303391 0.821243 0.306402 Zn\n0.974759 0.437092 0.520744 Zn\n0.083760 0.641071 0.506816 Zn\n0.314951 0.261332 0.334053 Zn\n0.194234 0.228104 0.161339 Zn\n0.446813 0.904712 0.430099 Zn\n0.668045 0.249649 0.324017 Zn\n0.538024 0.531029 0.797123 Zn\n0.178587 0.191731 0.699821 Zn\n0.356545 0.508541 0.560234 Zn\n0.485840 0.585409 0.281264 Zn\n0.413194 0.741182 0.819522 Zn\n0.238900 0.389580 0.562735 Zn\n0.978572 0.554167 0.334386 Zn\n0.932351 0.226065 0.668927 Zn\n0.165533 0.860488 0.947610 Zn\n0.995872 0.632022 0.028241 Zn\n0.783932 0.627872 0.828481 Zn\n0.168187 0.306255 0.907496 Zn\n0.994758 0.842657 0.578370 Zn\n0.625414 0.129651 0.795576 S\n0.079179 0.970713 0.039275 S\n0.407720 0.272426 0.475551 S\n0.837521 0.267641 0.906375 S\n0.065069 0.326846 0.648243 S\n0.133280 0.189799 0.018646 S\n0.306249 0.337351 0.174525 S\n0.668156 0.715000 0.029481 S\n0.826514 0.028642 0.234567 S\n0.714967 0.500466 0.886481 S\n0.514194 0.567047 0.634267 S\n0.450338 0.764115 0.640943 S\n0.543798 0.184356 0.247459 S\n0.439233 0.605358 0.917860 S\n0.220751 0.623667 0.608993 S\n0.761945 0.155902 0.448907 S\n0.404732 0.909468 0.624439 S\n0.315822 0.643064 0.207315 S\n0.221782 0.760280 0.818564 S\n0.716586 0.762842 0.739309 S\n0.131839 0.504052 0.989565 S\n0.604478 0.330249 0.671073 S\n0.032011 0.098736 0.756556 S\n0.156225 0.191180 0.330702 S\n0.345457 0.771632 0.147788 S\n0.279180 0.978410 0.864777 S\n0.491045 0.476048 0.416850 S\n0.922339 0.593440 0.496517 S\n0.492034 0.336120 0.945888 S\n0.798052 0.399941 0.488150 S\n0.073593 0.445216 0.869625 S\n0.947312 0.660320 0.860369 S\n0.581473 0.706859 0.311018 S\n0.921222 0.367218 0.196694 S\n0.138340 0.747167 0.360943 S\n0.109660 0.437744 0.388481 S\n0.550826 0.016826 0.072848 S\n0.825161 0.954650 0.949525 S\n0.305336 0.233579 0.806472 S\n0.448654 0.748035 0.405883 S\n0.539724 0.493033 0.152106 S\n0.530014 0.967542 0.683411 S\n0.295452 0.965530 0.340120 S\n0.405383 0.105458 0.070679 S\n0.632977 0.915275 0.442290 S\n0.133380 0.726222 0.040894 S\n0.159000 0.909437 0.593721 S\n0.016759 0.851505 0.396279 S\n0.473327 0.146818 0.538771 S\n0.933873 0.644471 0.195899 S\n",
            "nsites": 100,
            "nelements": 2,
            "elements": [
                "Zn",
                "S"
            ],
            "chemical_system": "S-Zn",
            "density": 3.2334153750489234,
            "density_atomic": 0.039953387633260035,
            "volume": 2502.9166717455746,
            "volume_molar": 15.072916507802566,
            "formula_full": "Zn50 S50",
            "formula_reduced": "ZnS",
            "formula_anonymous": "AB",
            "energy": -331.23095126,
            "energy_per_atom": -3.3123095125999997,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -306.08095126,
            "band_gap": 0.8751000000000002,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:47.116000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-555594",
            "created_at": "2022-09-04T14:42:45.729520Z",
            "structure_string": "Zn24 S24\n1.0\n1.925731 -3.335464 0.000000\n1.925731 3.335464 0.000000\n0.000000 0.000000 75.538984\nZn S\n24 24\ndirect\n0.000000 0.000000 0.708307 Zn\n0.666667 0.333333 0.791668 Zn\n0.000000 0.000000 0.333315 Zn\n0.333333 0.666667 0.416659 Zn\n0.000000 0.000000 0.083327 Zn\n0.333333 0.666667 0.666642 Zn\n0.000000 0.000000 0.583353 Zn\n0.000000 0.000000 0.208348 Zn\n0.333333 0.666667 0.541684 Zn\n0.666667 0.333333 0.041686 Zn\n0.000000 0.000000 0.458329 Zn\n0.333333 0.666667 0.125000 Zn\n0.666667 0.333333 0.166681 Zn\n0.666667 0.333333 0.291646 Zn\n0.333333 0.666667 0.750001 Zn\n0.000000 0.000000 0.833333 Zn\n0.666667 0.333333 0.375004 Zn\n0.666667 0.333333 0.500005 Zn\n0.666667 0.333333 0.958339 Zn\n0.333333 0.666667 0.875021 Zn\n0.000000 0.000000 0.916713 Zn\n0.333333 0.666667 0.000008 Zn\n0.666667 0.333333 0.625009 Zn\n0.333333 0.666667 0.250005 Zn\n0.333333 0.666667 0.697859 S\n0.666667 0.333333 0.531255 S\n0.666667 0.333333 0.197928 S\n0.000000 0.000000 0.864560 S\n0.666667 0.333333 0.322866 S\n0.333333 0.666667 0.572931 S\n0.666667 0.333333 0.406237 S\n0.333333 0.666667 0.781236 S\n0.666667 0.333333 0.656242 S\n0.666667 0.333333 0.989557 S\n0.000000 0.000000 0.114571 S\n0.000000 0.000000 0.739585 S\n0.333333 0.666667 0.031282 S\n0.000000 0.000000 0.947936 S\n0.333333 0.666667 0.156250 S\n0.000000 0.000000 0.489577 S\n0.000000 0.000000 0.614594 S\n0.666667 0.333333 0.822912 S\n0.333333 0.666667 0.281242 S\n0.000000 0.000000 0.364593 S\n0.666667 0.333333 0.072912 S\n0.333333 0.666667 0.447905 S\n0.000000 0.000000 0.239589 S\n0.333333 0.666667 0.906299 S\n",
            "nsites": 48,
            "nelements": 2,
            "elements": [
                "Zn",
                "S"
            ],
            "chemical_system": "S-Zn",
            "density": 4.003096996722002,
            "density_atomic": 0.04946388493038983,
            "volume": 970.4049746102648,
            "volume_molar": 12.174823648556753,
            "formula_full": "Zn24 S24",
            "formula_reduced": "ZnS",
            "formula_anonymous": "AB",
            "energy": -180.49838067,
            "energy_per_atom": -3.7603829306249996,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -168.42638067,
            "band_gap": 2.0605,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 1.48e-05,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:54.665000Z",
            "spacegroup": 156
        },
        {
            "id": "mp-1245122",
            "created_at": "2022-09-04T14:48:27.085477Z",
            "structure_string": "Zn50 S50\n1.0\n12.730745 0.127760 0.158478\n0.142963 13.291043 -0.625080\n0.140836 -0.659159 13.926264\nZn S\n50 50\ndirect\n0.328141 0.708752 0.206978 Zn\n0.388513 0.409728 0.481451 Zn\n0.934369 0.912290 0.733378 Zn\n0.621943 0.158444 0.072305 Zn\n0.282255 0.015606 0.424177 Zn\n0.598980 0.949174 0.948368 Zn\n0.770053 0.176124 0.360548 Zn\n0.075090 0.172886 0.312345 Zn\n0.767928 0.464953 0.753362 Zn\n0.814308 0.924948 0.205595 Zn\n0.498677 0.238527 0.868620 Zn\n0.720134 0.667371 0.927030 Zn\n0.200013 0.392542 0.660695 Zn\n0.840552 0.974831 0.977019 Zn\n0.721105 0.765267 0.729441 Zn\n0.715230 0.449618 0.075275 Zn\n0.484286 0.564549 0.015096 Zn\n0.066920 0.098107 0.782391 Zn\n0.206635 0.159297 0.979403 Zn\n0.994198 0.668592 0.835157 Zn\n0.290399 0.928504 0.032024 Zn\n0.171365 0.880720 0.883952 Zn\n0.621517 0.295717 0.574002 Zn\n0.271562 0.823923 0.565947 Zn\n0.901309 0.774926 0.490081 Zn\n0.105718 0.848449 0.051374 Zn\n0.573647 0.416899 0.873043 Zn\n0.964920 0.170102 0.599925 Zn\n0.767218 0.174416 0.799431 Zn\n0.493544 0.336026 0.719824 Zn\n0.781374 0.507325 0.511286 Zn\n0.333890 0.140990 0.733686 Zn\n0.009123 0.118026 0.151891 Zn\n0.439676 0.153493 0.104293 Zn\n0.325494 0.648748 0.736372 Zn\n0.366465 0.740145 0.888696 Zn\n0.716199 0.011635 0.556619 Zn\n0.267060 0.598694 0.415733 Zn\n0.165567 0.586534 0.000047 Zn\n0.206934 0.030691 0.265129 Zn\n0.918963 0.629899 0.132888 Zn\n0.604761 0.904192 0.391102 Zn\n0.273760 0.389520 0.876812 Zn\n0.148866 0.778082 0.323299 Zn\n0.043621 0.599131 0.594199 Zn\n0.895608 0.381433 0.291975 Zn\n0.984198 0.378463 0.806845 Zn\n0.035786 0.368677 0.071646 Zn\n0.423366 0.217048 0.591201 Zn\n0.460090 0.693670 0.443465 Zn\n0.451295 0.863839 0.982339 S\n0.847419 0.222471 0.213256 S\n0.922698 0.603502 0.479508 S\n0.224478 0.044998 0.837325 S\n0.194335 0.613447 0.272094 S\n0.900551 0.054779 0.839541 S\n0.210604 0.860209 0.187379 S\n0.870623 0.766636 0.261528 S\n0.532048 0.972633 0.539150 S\n0.077824 0.251524 0.713662 S\n0.023936 0.693253 0.006318 S\n0.735439 0.840470 0.886846 S\n0.066059 0.801642 0.764594 S\n0.545431 0.406911 0.040899 S\n0.827231 0.627394 0.781780 S\n0.981244 0.480831 0.191185 S\n0.960855 0.955418 0.098205 S\n0.724850 0.290326 0.137295 S\n0.443298 0.730189 0.610452 S\n0.108127 0.434873 0.935943 S\n0.583962 0.739503 0.330800 S\n0.812551 0.348191 0.855119 S\n0.274127 0.088651 0.116242 S\n0.977288 0.841555 0.358357 S\n0.343968 0.269393 0.958141 S\n0.213854 -0.000468 0.590853 S\n0.505311 0.738890 0.199677 S\n0.640274 0.302556 0.398927 S\n0.434333 0.522888 0.387012 S\n0.061016 0.508742 0.722003 S\n0.751648 0.614306 0.077359 S\n0.623306 0.118122 0.890379 S\n0.599279 0.781468 0.611365 S\n0.047810 0.003000 0.602923 S\n0.905236 0.253704 0.473999 S\n0.024055 0.325638 0.400495 S\n0.814431 0.871103 0.612460 S\n0.701330 0.998562 0.092973 S\n0.272535 0.302314 0.522912 S\n0.215457 0.653310 0.576292 S\n0.564029 0.594296 0.868177 S\n0.311514 0.825646 0.404143 S\n0.765032 0.166314 0.628153 S\n0.324564 0.646337 0.034304 S\n0.725864 0.429613 0.365040 S\n0.749956 0.003259 0.366356 S\n0.454103 0.087861 0.465770 S\n0.667142 0.463832 0.623854 S\n0.344914 0.456993 0.747121 S\n0.035025 0.206060 0.018499 S\n",
            "nsites": 100,
            "nelements": 2,
            "elements": [
                "Zn",
                "S"
            ],
            "chemical_system": "S-Zn",
            "density": 3.4429827470070293,
            "density_atomic": 0.04254288680857062,
            "volume": 2350.5692138375093,
            "volume_molar": 14.15545867185202,
            "formula_full": "Zn50 S50",
            "formula_reduced": "ZnS",
            "formula_anonymous": "AB",
            "energy": -336.15386031,
            "energy_per_atom": -3.3615386031,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -311.00386031,
            "band_gap": 1.2726000000000002,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:39:35.413000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-555628",
            "created_at": "2022-09-04T14:45:24.808630Z",
            "structure_string": "Zn24 S24\n1.0\n1.926357 -3.336548 0.000000\n1.926357 3.336548 0.000000\n0.000000 0.000000 75.595903\nZn S\n24 24\ndirect\n0.000000 0.000000 0.708343 Zn\n0.666667 0.333333 0.791672 Zn\n0.000000 0.000000 0.333330 Zn\n0.333333 0.666667 0.416671 Zn\n0.000000 0.000000 0.083329 Zn\n0.666667 0.333333 0.208329 Zn\n0.000000 0.000000 0.833329 Zn\n0.000000 0.000000 0.916682 Zn\n0.333333 0.666667 0.124999 Zn\n0.000000 0.000000 0.166682 Zn\n0.333333 0.666667 0.583331 Zn\n0.666667 0.333333 0.666669 Zn\n0.666667 0.333333 0.041682 Zn\n0.000000 0.000000 0.458329 Zn\n0.333333 0.666667 0.750001 Zn\n0.666667 0.333333 0.291677 Zn\n0.666667 0.333333 0.375011 Zn\n0.666667 0.333333 0.958329 Zn\n0.333333 0.666667 0.874999 Zn\n0.000000 0.000000 0.541677 Zn\n0.000000 0.000000 0.625007 Zn\n0.333333 0.666667 0.999999 Zn\n0.666667 0.333333 0.499999 Zn\n0.333333 0.666667 0.249999 Zn\n0.666667 0.333333 0.531273 S\n0.666667 0.333333 0.322890 S\n0.000000 0.000000 0.864554 S\n0.333333 0.666667 0.781248 S\n0.000000 0.000000 0.947914 S\n0.666667 0.333333 0.989553 S\n0.000000 0.000000 0.114553 S\n0.333333 0.666667 0.614604 S\n0.333333 0.666667 0.031273 S\n0.333333 0.666667 0.906273 S\n0.000000 0.000000 0.489554 S\n0.333333 0.666667 0.281273 S\n0.000000 0.000000 0.364603 S\n0.666667 0.333333 0.822915 S\n0.000000 0.000000 0.656223 S\n0.666667 0.333333 0.072914 S\n0.000000 0.000000 0.739576 S\n0.666667 0.333333 0.697940 S\n0.333333 0.666667 0.156273 S\n0.666667 0.333333 0.239554 S\n0.000000 0.000000 0.572890 S\n0.666667 0.333333 0.406247 S\n0.333333 0.666667 0.447914 S\n0.000000 0.000000 0.197914 S\n",
            "nsites": 48,
            "nelements": 2,
            "elements": [
                "Zn",
                "S"
            ],
            "chemical_system": "S-Zn",
            "density": 3.997483873174696,
            "density_atomic": 0.049394526906471996,
            "volume": 971.7675824871748,
            "volume_molar": 12.191919099463911,
            "formula_full": "Zn24 S24",
            "formula_reduced": "ZnS",
            "formula_anonymous": "AB",
            "energy": -180.47784053,
            "energy_per_atom": -3.759955011041667,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -168.40584053,
            "band_gap": 2.0360000000000005,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 1.61e-05,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:10.223000Z",
            "spacegroup": 156
        },
        {
            "id": "mp-1245201",
            "created_at": "2022-09-04T14:45:39.722637Z",
            "structure_string": "Zn50 S50\n1.0\n13.572065 -0.630150 -0.213415\n-0.630625 13.177225 1.113786\n-0.222383 1.059222 13.306851\nZn S\n50 50\ndirect\n0.916152 0.103212 0.651241 Zn\n0.221914 0.455207 0.653055 Zn\n0.850852 0.129362 0.038678 Zn\n0.645054 0.481708 0.572138 Zn\n0.119232 0.883578 0.771450 Zn\n0.449101 0.087542 0.288874 Zn\n0.838680 0.557219 0.336523 Zn\n0.442423 0.929461 0.222343 Zn\n0.551621 0.557293 0.823657 Zn\n0.689579 0.954526 0.121367 Zn\n0.867184 0.378360 0.534293 Zn\n0.431810 0.999399 0.857071 Zn\n0.107314 0.698192 0.209297 Zn\n0.958329 0.238100 0.830402 Zn\n0.558849 0.720992 0.476280 Zn\n0.502224 0.698014 0.045286 Zn\n0.168191 0.693733 0.881033 Zn\n0.147187 0.873851 0.359756 Zn\n0.256457 0.250575 0.148306 Zn\n0.306662 0.539673 0.209791 Zn\n0.086058 0.293130 0.975708 Zn\n0.245874 0.113521 0.936085 Zn\n0.621272 0.283738 0.466945 Zn\n0.597714 0.863971 0.764188 Zn\n0.418336 0.652688 0.616649 Zn\n0.959862 0.700087 0.958571 Zn\n0.483022 0.024509 0.553583 Zn\n0.557647 0.491227 0.274564 Zn\n0.823368 0.269980 0.295015 Zn\n0.353079 0.255560 0.862057 Zn\n0.018909 0.779539 0.502769 Zn\n0.718718 0.903418 0.625607 Zn\n0.058288 0.130522 0.229249 Zn\n0.539332 0.307053 0.090953 Zn\n0.756256 0.364848 0.915175 Zn\n0.263145 0.815183 0.049597 Zn\n0.670322 0.917536 0.370750 Zn\n0.140687 0.223538 0.637596 Zn\n0.153670 0.734470 0.687650 Zn\n0.932860 0.409712 0.109433 Zn\n0.721317 0.739039 0.756218 Zn\n0.653815 0.721740 0.220590 Zn\n0.396389 0.386533 0.465680 Zn\n0.261038 0.711933 0.400076 Zn\n0.097198 0.383455 0.287382 Zn\n0.234009 0.534055 0.939037 Zn\n0.879851 0.928563 0.218177 Zn\n0.974325 0.421900 0.863921 Zn\n0.089086 0.612763 0.462030 Zn\n0.957135 0.830883 0.656916 Zn\n0.549282 0.847993 0.126101 S\n0.520073 0.275849 0.836206 S\n0.229293 0.995662 0.455042 S\n0.686858 0.333823 0.174626 S\n0.234157 0.349562 0.539234 S\n0.133835 0.135290 0.058302 S\n0.966298 0.749276 0.124552 S\n0.830336 0.478844 0.773117 S\n0.792309 0.205474 0.886613 S\n0.116992 0.575816 0.640952 S\n0.110939 0.825753 0.955082 S\n0.561991 0.714361 0.878587 S\n0.191718 0.402546 0.069671 S\n0.612059 0.592709 0.130888 S\n0.924058 0.554821 0.486882 S\n0.742702 0.035900 0.256487 S\n0.535668 0.020785 0.733229 S\n0.004152 0.531884 0.980757 S\n0.414798 0.501226 0.729837 S\n0.577920 0.388453 0.919108 S\n0.680526 0.481455 0.395034 S\n0.614747 0.626434 0.648676 S\n0.132882 0.070529 0.765642 S\n0.853300 0.726462 0.233235 S\n0.410434 0.194207 0.130617 S\n0.871558 0.970553 0.569060 S\n0.406691 0.631559 0.447966 S\n0.782328 0.237396 0.465344 S\n0.767833 0.436738 0.064941 S\n0.883975 0.729737 0.798102 S\n0.294948 0.431449 0.820212 S\n0.988141 0.060254 0.821512 S\n0.346823 0.973967 0.994621 S\n0.921683 0.222021 0.158114 S\n0.981457 0.271092 0.643816 S\n0.173101 0.236630 0.305448 S\n0.309209 0.786875 0.615087 S\n0.697000 0.746089 0.381926 S\n0.762295 0.384258 0.673426 S\n0.312621 0.948313 0.583177 S\n0.400621 0.416613 0.290304 S\n0.243696 0.821675 0.232079 S\n0.166560 0.553562 0.305069 S\n0.332888 0.655615 0.061398 S\n0.577032 0.896725 0.512692 S\n0.010695 0.968264 0.319568 S\n0.521332 0.347451 0.576885 S\n0.934058 0.424625 0.279302 S\n0.485746 0.162943 0.428162 S\n0.836491 0.954673 0.044575 S\n",
            "nsites": 100,
            "nelements": 2,
            "elements": [
                "Zn",
                "S"
            ],
            "chemical_system": "S-Zn",
            "density": 3.4318424060660697,
            "density_atomic": 0.04240523225190109,
            "volume": 2358.199559100796,
            "volume_molar": 14.20140968507493,
            "formula_full": "Zn50 S50",
            "formula_reduced": "ZnS",
            "formula_anonymous": "AB",
            "energy": -331.33188817,
            "energy_per_atom": -3.3133188817000003,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -306.18188817,
            "band_gap": 0.8690999999999998,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:07.459000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-1201781",
            "created_at": "2022-09-04T14:45:25.271972Z",
            "structure_string": "Zn18 S18\n1.0\n-1.936990 -3.354965 0.000000\n1.936990 -3.354965 0.000000\n0.000000 -2.236643 56.327089\nZn S\n18 18\ndirect\n0.999994 0.999994 0.000017 Zn\n0.944441 0.944441 0.166676 Zn\n0.888882 0.888882 0.333354 Zn\n0.833330 0.833330 0.500009 Zn\n0.777779 0.777779 0.666662 Zn\n0.722214 0.722214 0.833357 Zn\n0.648151 0.648151 0.055547 Zn\n0.592588 0.592588 0.222237 Zn\n0.537030 0.537030 0.388909 Zn\n0.462964 0.462964 0.611109 Zn\n0.407404 0.407404 0.777788 Zn\n0.351849 0.351849 0.944453 Zn\n0.296300 0.296300 0.111100 Zn\n0.240737 0.240737 0.277790 Zn\n0.185185 0.185185 0.444445 Zn\n0.148143 0.148143 0.555570 Zn\n0.092589 0.092589 0.722232 Zn\n0.037034 0.037034 0.888898 Zn\n0.986118 0.986118 0.041646 S\n0.930562 0.930562 0.208315 S\n0.875014 0.875014 0.374959 S\n0.819440 0.819440 0.541679 S\n0.763898 0.763898 0.708306 S\n0.708350 0.708350 0.874950 S\n0.634270 0.634270 0.097191 S\n0.578712 0.578712 0.263864 S\n0.523167 0.523167 0.430500 S\n0.449081 0.449081 0.652757 S\n0.393533 0.393533 0.819400 S\n0.337961 0.337961 0.986117 S\n0.282418 0.282418 0.152746 S\n0.226862 0.226862 0.319413 S\n0.171330 0.171330 0.486011 S\n0.134266 0.134266 0.597202 S\n0.078714 0.078714 0.763857 S\n0.023179 0.023179 0.930463 S\n",
            "nsites": 36,
            "nelements": 2,
            "elements": [
                "Zn",
                "S"
            ],
            "chemical_system": "S-Zn",
            "density": 3.979675995253303,
            "density_atomic": 0.049174485567209054,
            "volume": 732.0869671487895,
            "volume_molar": 12.246474346476408,
            "formula_full": "Zn18 S18",
            "formula_reduced": "ZnS",
            "formula_anonymous": "AB",
            "energy": -134.97525498,
            "energy_per_atom": -3.749312638333333,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -125.92125498,
            "band_gap": 1.9874,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 3.3e-05,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:55.817000Z",
            "spacegroup": 160
        },
        {
            "id": "mp-560725",
            "created_at": "2022-09-04T14:43:24.178690Z",
            "structure_string": "Zn16 S16\n1.0\n1.926933 -3.337547 0.000000\n1.926933 3.337547 0.000000\n0.000000 0.000000 50.390606\nZn S\n16 16\ndirect\n0.333333 0.666667 0.500005 Zn\n0.333333 0.666667 0.875007 Zn\n0.666667 0.333333 0.187511 Zn\n0.000000 0.000000 0.437498 Zn\n0.333333 0.666667 0.125013 Zn\n0.666667 0.333333 0.000005 Zn\n0.666667 0.333333 0.625013 Zn\n0.000000 0.000000 0.250004 Zn\n0.000000 0.000000 0.937498 Zn\n0.666667 0.333333 0.812501 Zn\n0.333333 0.666667 0.687511 Zn\n0.000000 0.000000 0.750004 Zn\n0.666667 0.333333 0.375007 Zn\n0.000000 0.000000 0.562527 Zn\n0.333333 0.666667 0.312501 Zn\n0.000000 0.000000 0.062527 Zn\n0.666667 0.333333 0.046910 S\n0.000000 0.000000 0.109366 S\n0.333333 0.666667 0.359365 S\n0.666667 0.333333 0.421860 S\n0.666667 0.333333 0.671867 S\n0.333333 0.666667 0.546910 S\n0.666667 0.333333 0.859365 S\n0.000000 0.000000 0.484320 S\n0.000000 0.000000 0.984320 S\n0.000000 0.000000 0.796854 S\n0.333333 0.666667 0.734352 S\n0.000000 0.000000 0.296854 S\n0.333333 0.666667 0.921860 S\n0.000000 0.000000 0.609366 S\n0.333333 0.666667 0.171867 S\n0.666667 0.333333 0.234352 S\n",
            "nsites": 32,
            "nelements": 2,
            "elements": [
                "Zn",
                "S"
            ],
            "chemical_system": "S-Zn",
            "density": 3.995620999931173,
            "density_atomic": 0.04937150849152155,
            "volume": 648.1470989588112,
            "volume_molar": 12.197603322236283,
            "formula_full": "Zn16 S16",
            "formula_reduced": "ZnS",
            "formula_anonymous": "AB",
            "energy": -120.33651375,
            "energy_per_atom": -3.7605160546875,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -112.28851375,
            "band_gap": 2.0616,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0003208,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:17.281000Z",
            "spacegroup": 186
        },
        {
            "id": "mp-1245050",
            "created_at": "2022-09-04T14:41:26.347190Z",
            "structure_string": "Zn50 S50\n1.0\n12.620603 -0.327894 -0.053781\n-0.322129 13.703054 0.180280\n-0.043771 0.167702 13.437974\nZn S\n50 50\ndirect\n0.383435 0.616839 0.926045 Zn\n0.074094 0.125761 0.624581 Zn\n0.545545 0.707559 0.889577 Zn\n0.090245 0.367116 0.519845 Zn\n0.132824 0.795407 0.081920 Zn\n0.732397 0.451533 0.420238 Zn\n0.944533 0.190655 0.775404 Zn\n0.776767 0.882160 0.819808 Zn\n0.060370 0.581020 0.919784 Zn\n0.150819 0.226754 0.761547 Zn\n0.808935 0.239993 0.977683 Zn\n0.898530 0.745555 0.315565 Zn\n0.355201 0.482554 0.589008 Zn\n0.332325 0.752174 0.485435 Zn\n0.941146 0.593401 0.414396 Zn\n0.473058 0.281747 0.841501 Zn\n0.323110 0.228698 0.416622 Zn\n0.035209 0.992194 0.262731 Zn\n0.370774 0.925135 0.932525 Zn\n0.978443 0.335525 0.877289 Zn\n0.228142 0.790457 0.709551 Zn\n0.533161 0.978041 0.463538 Zn\n0.826292 0.134296 0.648843 Zn\n0.766521 0.942947 0.454545 Zn\n0.379138 0.030537 0.547320 Zn\n0.551463 0.932835 0.865727 Zn\n0.304328 0.901419 0.303178 Zn\n0.571480 0.806097 0.617378 Zn\n0.531992 0.078433 0.670063 Zn\n0.639473 0.091555 0.045379 Zn\n0.720574 0.421930 0.860255 Zn\n0.952496 0.518871 0.660249 Zn\n0.425531 0.079689 0.825721 Zn\n0.911374 0.039121 0.045697 Zn\n0.436259 0.032270 0.279170 Zn\n0.185200 0.058579 0.997568 Zn\n0.576651 0.313378 0.087412 Zn\n0.543062 0.514829 0.677334 Zn\n0.251148 0.478599 0.736594 Zn\n0.792838 0.654547 0.737240 Zn\n0.082287 0.655699 0.658501 Zn\n0.807641 0.243349 0.448985 Zn\n0.225354 0.365266 0.978347 Zn\n0.690487 0.877819 0.225818 Zn\n0.975428 0.311347 0.326899 Zn\n0.506862 0.520984 0.260619 Zn\n0.231073 0.522361 0.378459 Zn\n0.474441 0.810977 0.153513 Zn\n0.095918 0.726257 0.358442 Zn\n0.046544 0.839863 0.685501 Zn\n0.508915 0.548304 0.507600 S\n0.135625 0.892332 0.363213 S\n0.618076 0.834022 0.448764 S\n0.954053 0.652656 0.149287 S\n0.332347 0.492476 0.045454 S\n0.273100 0.378972 0.468078 S\n0.802535 0.137301 0.123032 S\n0.636801 0.727008 0.158444 S\n0.647524 0.631757 0.281812 S\n0.849896 0.967507 0.604415 S\n0.719752 0.109896 0.878748 S\n0.670192 0.177193 0.554985 S\n0.566465 0.264510 0.258921 S\n0.315069 0.835620 0.068783 S\n0.217379 0.623169 0.828142 S\n0.679108 0.097576 0.421239 S\n0.399627 0.745295 0.324082 S\n0.795542 0.341806 0.311942 S\n0.638486 0.939621 0.707188 S\n0.852651 0.907844 0.301405 S\n0.981905 0.222159 0.493278 S\n0.859415 0.033127 0.877747 S\n0.062544 0.959081 0.090932 S\n0.053771 0.207297 0.112441 S\n0.595711 0.371331 0.747464 S\n0.235767 0.114333 0.516212 S\n0.412898 0.198556 0.270900 S\n0.049746 0.464774 0.370219 S\n0.611982 0.668630 0.721106 S\n0.547774 0.433186 0.414026 S\n0.492834 0.186850 0.986323 S\n0.865373 0.521388 0.816215 S\n0.012509 0.967211 0.574672 S\n0.343045 0.610836 0.264009 S\n0.188081 0.647770 0.489532 S\n0.212371 0.207982 0.070814 S\n0.734632 0.381651 0.023503 S\n0.079033 0.401347 0.688163 S\n0.055173 0.171328 0.263103 S\n0.979106 0.709670 0.002993 S\n0.114414 0.658722 0.196686 S\n0.243016 0.017524 0.848177 S\n0.380460 0.840914 0.618092 S\n0.561286 0.976160 0.162684 S\n0.819476 0.547750 0.534964 S\n0.294146 0.322751 0.824274 S\n0.059715 0.429455 0.994128 S\n0.906047 0.781424 0.781397 S\n0.445664 0.421319 0.133512 S\n0.663655 0.827884 0.948522 S\n",
            "nsites": 100,
            "nelements": 2,
            "elements": [
                "Zn",
                "S"
            ],
            "chemical_system": "S-Zn",
            "density": 3.4851245767358754,
            "density_atomic": 0.04306360829450281,
            "volume": 2322.146330983725,
            "volume_molar": 13.98429207050154,
            "formula_full": "Zn50 S50",
            "formula_reduced": "ZnS",
            "formula_anonymous": "AB",
            "energy": -327.63487088,
            "energy_per_atom": -3.2763487088,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -302.48487088,
            "band_gap": 0.8705,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:19.873000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-556485",
            "created_at": "2022-09-04T14:42:44.721491Z",
            "structure_string": "Zn12 S12\n1.0\n1.916692 -3.319807 0.000000\n1.916692 3.319807 0.000000\n0.000000 0.000000 38.926908\nZn S\n12 12\ndirect\n0.000000 0.000000 0.821092 Zn\n0.333333 0.666667 0.656691 Zn\n0.333333 0.666667 0.250550 Zn\n0.000000 0.000000 0.332918 Zn\n0.000000 0.000000 0.576406 Zn\n0.000000 0.000000 0.168082 Zn\n0.666667 0.333333 0.414663 Zn\n0.666667 0.333333 0.085899 Zn\n0.666667 0.333333 0.736703 Zn\n0.333333 0.666667 0.867340 Zn\n0.333333 0.666667 0.495768 Zn\n0.333333 0.666667 0.004036 Zn\n0.000000 0.000000 0.229501 S\n0.666667 0.333333 0.475563 S\n0.333333 0.666667 0.717069 S\n0.000000 0.000000 0.636966 S\n0.000000 0.000000 0.984688 S\n0.666667 0.333333 0.147259 S\n0.333333 0.666667 0.312046 S\n0.333333 0.666667 0.923636 S\n0.333333 0.666667 0.065584 S\n0.000000 0.000000 0.394088 S\n0.333333 0.666667 0.556402 S\n0.666667 0.333333 0.797048 S\n",
            "nsites": 24,
            "nelements": 2,
            "elements": [
                "Zn",
                "S"
            ],
            "chemical_system": "S-Zn",
            "density": 3.9207943263890743,
            "density_atomic": 0.04844691986105842,
            "volume": 495.3875307001958,
            "volume_molar": 12.43038933593917,
            "formula_full": "Zn12 S12",
            "formula_reduced": "ZnS",
            "formula_anonymous": "AB",
            "energy": -85.21522756,
            "energy_per_atom": -3.5506344816666666,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -79.17922756,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 1.789821,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:09.023000Z",
            "spacegroup": 156
        },
        {
            "id": "mp-1245317",
            "created_at": "2022-09-04T14:41:24.483422Z",
            "structure_string": "Zn50 S50\n1.0\n13.025911 -0.795588 -0.023757\n-0.793356 13.466617 0.123118\n-0.049086 0.116378 13.773969\nZn S\n50 50\ndirect\n0.556755 0.949967 0.330781 Zn\n0.321818 0.617173 0.747905 Zn\n0.396560 0.826661 0.575321 Zn\n0.080659 0.273140 0.366948 Zn\n0.383369 0.219394 0.713834 Zn\n0.071910 0.047301 0.716481 Zn\n0.506359 0.313879 0.106709 Zn\n0.818482 0.740308 0.309815 Zn\n0.944936 0.418990 0.578677 Zn\n0.384670 0.190020 0.984613 Zn\n0.013038 0.000075 0.331448 Zn\n0.101500 0.123936 0.104297 Zn\n0.517246 0.888859 0.731616 Zn\n0.878042 0.180383 0.189953 Zn\n0.089980 0.189285 0.824844 Zn\n0.173825 0.703609 0.431244 Zn\n0.358164 0.970484 0.720529 Zn\n0.681183 0.532771 0.907895 Zn\n0.868826 0.192882 0.015154 Zn\n0.647118 0.108857 0.819956 Zn\n0.717936 0.908396 0.523213 Zn\n0.646190 0.663129 0.244313 Zn\n0.414523 0.610076 0.984852 Zn\n0.434073 0.942711 0.896519 Zn\n0.892562 0.925175 0.919205 Zn\n0.901199 0.149257 0.518588 Zn\n0.764918 0.456165 0.143886 Zn\n0.050315 0.862711 0.144479 Zn\n0.637404 0.660892 0.651560 Zn\n0.866378 0.042382 0.789182 Zn\n0.330354 0.015145 0.223107 Zn\n0.730265 0.821188 0.162848 Zn\n0.911633 0.628481 0.739028 Zn\n0.054195 0.602343 0.242923 Zn\n0.235557 0.462553 0.455839 Zn\n0.847835 0.380434 0.834212 Zn\n0.452984 0.533194 0.173175 Zn\n0.147317 0.805192 0.651264 Zn\n0.725516 0.805828 0.873831 Zn\n0.743570 0.169734 0.679138 Zn\n0.386332 0.399647 0.523147 Zn\n0.191342 0.991709 0.934435 Zn\n0.902083 0.647252 0.061897 Zn\n0.960413 0.739329 0.533553 Zn\n0.245431 0.736450 0.020676 Zn\n0.448873 0.825888 0.173400 Zn\n0.584313 0.397210 0.668971 Zn\n0.577403 0.285592 0.944924 Zn\n0.773035 0.583214 0.503433 Zn\n0.606020 0.095876 0.124373 Zn\n0.267740 0.619848 0.901486 S\n0.817491 0.280221 0.563304 S\n0.192702 0.937261 0.767962 S\n0.963574 0.478336 0.741565 S\n0.736238 0.661957 0.788832 S\n0.163851 0.260240 0.217713 S\n0.450536 0.122986 0.838957 S\n0.703138 0.004383 0.391731 S\n0.812907 0.783186 0.017289 S\n0.664875 0.382550 0.818637 S\n0.237696 0.295670 0.739455 S\n0.056727 0.060421 0.544734 S\n0.426560 0.490743 0.737115 S\n0.608281 0.919557 0.870310 S\n0.574154 0.582838 0.022842 S\n0.081737 0.703806 0.098526 S\n0.874151 0.589505 0.229639 S\n0.351553 0.405069 0.091295 S\n0.205168 0.168037 0.966020 S\n0.614511 0.526837 0.556108 S\n0.201271 0.395493 0.149640 S\n0.835879 0.492363 0.992556 S\n0.572390 0.805448 0.601347 S\n0.201074 0.143909 0.515399 S\n0.349377 0.382432 0.827176 S\n0.919246 0.228245 0.857876 S\n0.315771 0.905665 0.015262 S\n0.647574 0.341726 0.224142 S\n0.110772 0.838105 0.477161 S\n0.435462 0.136056 0.140123 S\n0.794567 0.760221 0.474219 S\n0.910074 0.880717 0.243296 S\n0.396975 0.999178 0.556894 S\n0.699769 0.198788 0.243159 S\n0.197944 0.582817 0.333680 S\n0.294501 0.057754 0.450572 S\n0.362934 0.676491 0.139122 S\n0.271778 0.698055 0.610673 S\n0.937607 0.565508 0.484182 S\n0.482999 0.276202 0.586409 S\n0.601223 0.921791 0.139816 S\n0.977153 0.782051 0.699068 S\n0.686939 0.159027 0.982436 S\n0.153257 0.003991 0.222634 S\n0.092272 0.357234 0.504836 S\n0.554770 0.528649 0.301721 S\n0.033201 0.970056 0.012554 S\n0.829225 0.016093 0.622588 S\n0.389918 0.890626 0.316695 S\n0.944065 0.148822 0.347296 S\n",
            "nsites": 100,
            "nelements": 2,
            "elements": [
                "Zn",
                "S"
            ],
            "chemical_system": "S-Zn",
            "density": 3.3618855632962736,
            "density_atomic": 0.04154081721931703,
            "volume": 2407.2708890642302,
            "volume_molar": 14.49692414139514,
            "formula_full": "Zn50 S50",
            "formula_reduced": "ZnS",
            "formula_anonymous": "AB",
            "energy": -334.24382169,
            "energy_per_atom": -3.3424382169,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -309.09382169,
            "band_gap": 1.1525,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:14.772000Z",
            "spacegroup": 1
        }
    ]
}