GET /third-parties/MatprojStructure/?format=api&ordering=energy_per_atom&page=54
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=energy_per_atom&page=55",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy_per_atom&page=53",
    "results": [
        {
            "id": "mp-756656",
            "created_at": "2022-09-04T14:44:07.909962Z",
            "structure_string": "Gd6 In2 O12\n1.0\n4.548464 -5.718492 0.000000\n4.548464 5.718492 0.000000\n0.000000 0.000000 5.679171\nGd In O\n6 2 12\ndirect\n0.090299 0.299879 0.469307 Gd\n0.299879 0.090299 0.969307 Gd\n0.600953 0.399047 0.420250 Gd\n0.399047 0.600953 0.920250 Gd\n0.700121 0.909701 0.469307 Gd\n0.909701 0.700121 0.969307 Gd\n0.810023 0.189977 0.985551 In\n0.189977 0.810023 0.485551 In\n0.322507 0.357115 0.195736 O\n0.357115 0.322507 0.695736 O\n0.566793 0.102415 0.191242 O\n0.102415 0.566793 0.691242 O\n0.972243 0.027757 0.158676 O\n0.781465 0.218535 0.630252 O\n0.218535 0.781465 0.130252 O\n0.027757 0.972243 0.658676 O\n0.897585 0.433207 0.191242 O\n0.433207 0.897585 0.691242 O\n0.677493 0.642885 0.695736 O\n0.642885 0.677493 0.195736 O\n",
            "nsites": 20,
            "nelements": 3,
            "elements": [
                "Gd",
                "In",
                "O"
            ],
            "chemical_system": "Gd-In-O",
            "density": 7.672934762558111,
            "density_atomic": 0.06769689892761832,
            "volume": 295.43450758924786,
            "volume_molar": 8.895740950318695,
            "formula_full": "Gd6 In2 O12",
            "formula_reduced": "Gd3InO6",
            "formula_anonymous": "AB3C6",
            "energy": -216.71933811,
            "energy_per_atom": -10.8359669055,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -208.47533811,
            "band_gap": 2.2306,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 41.9997513,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:32.977000Z",
            "spacegroup": 36
        },
        {
            "id": "mp-780234",
            "created_at": "2022-09-04T14:40:13.852388Z",
            "structure_string": "Hf16 N16 O8\n1.0\n-5.062051 5.056666 5.045806\n5.066919 -5.047977 5.041605\n5.027400 5.013115 -5.036926\nHf N O\n16 16 8\ndirect\n0.489088 0.989851 0.988749 Hf\n0.756387 0.292891 0.543767 Hf\n0.720789 0.471503 0.249171 Hf\n0.212435 0.954052 0.249561 Hf\n0.250252 0.214932 0.956004 Hf\n0.972069 0.265806 0.223671 Hf\n0.996615 0.509404 0.996437 Hf\n0.503449 0.509270 0.512811 Hf\n0.010223 0.998347 0.508359 Hf\n0.026164 0.740713 0.773730 Hf\n0.466021 0.250170 0.721989 Hf\n0.533982 0.748710 0.282712 Hf\n0.744222 0.778262 0.036297 Hf\n0.780880 0.031335 0.745253 Hf\n0.286375 0.537279 0.751384 Hf\n0.251410 0.714691 0.463757 Hf\n0.510712 0.238906 0.972085 N\n0.766510 0.536702 0.525603 N\n0.725852 0.255599 0.767637 N\n0.236181 0.967924 0.507704 N\n0.770979 0.727402 0.262363 N\n0.492435 0.768060 0.035873 N\n0.958247 0.732367 0.990862 N\n0.963268 0.506127 0.236002 N\n0.273697 0.739363 0.225235 N\n0.228222 0.450148 0.462608 N\n0.549013 0.533237 0.773040 N\n0.540500 0.773681 0.548731 N\n0.990212 0.958536 0.730996 N\n0.225016 0.273259 0.740870 N\n0.031558 0.484693 0.758162 N\n0.262018 0.777508 0.728151 N\n0.730572 0.996773 0.958534 O\n0.281943 0.014543 0.053633 O\n0.760170 0.034313 0.485207 O\n0.743892 0.218312 0.276285 O\n0.460819 0.224703 0.446067 O\n0.048770 0.269919 0.018875 O\n0.444090 0.466194 0.222129 O\n0.004966 0.044516 0.269694 O\n",
            "nsites": 40,
            "nelements": 3,
            "elements": [
                "Hf",
                "N",
                "O"
            ],
            "chemical_system": "Hf-N-O",
            "density": 10.390452892681353,
            "density_atomic": 0.07802231100097072,
            "volume": 512.6738683695531,
            "volume_molar": 7.718485498237901,
            "formula_full": "Hf16 N16 O8",
            "formula_reduced": "Hf2N2O",
            "formula_anonymous": "AB2C2",
            "energy": -433.43148987,
            "energy_per_atom": -10.83578724675,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -422.15948987,
            "band_gap": 2.0431,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0009653,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:52.079000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-776214",
            "created_at": "2022-09-04T14:43:13.739669Z",
            "structure_string": "Hf16 N16 O8\n1.0\n8.724317 0.000000 0.000000\n-2.926717 8.229436 0.000000\n-2.899839 -4.089945 7.138547\nHf N O\n16 16 8\ndirect\n0.751862 0.967368 0.207448 Hf\n0.995709 0.988513 0.990003 Hf\n0.029925 0.775546 0.243705 Hf\n0.528478 0.278967 0.253796 Hf\n0.502191 0.502741 0.003219 Hf\n0.489169 0.991385 0.488770 Hf\n0.258943 0.541922 0.289747 Hf\n0.297228 0.266746 0.547733 Hf\n0.712369 0.746403 0.461578 Hf\n0.785634 0.251316 0.044475 Hf\n0.205925 0.747281 0.959804 Hf\n0.749794 0.462196 0.715748 Hf\n0.010262 0.499042 0.500925 Hf\n0.972911 0.216502 0.750106 Hf\n0.466236 0.716374 0.743959 Hf\n0.240776 0.028093 0.787181 Hf\n0.731797 0.968725 0.960778 N\n0.757109 0.226177 0.274191 N\n0.452521 0.481963 0.224813 N\n0.771988 0.734393 0.241318 N\n0.493116 0.229133 0.460569 N\n0.228832 0.270967 0.763686 N\n0.986547 0.531711 0.257184 N\n0.513015 0.776907 0.545163 N\n0.953145 0.729100 0.967401 N\n0.548538 0.515444 0.778540 N\n0.225370 0.449876 0.484333 N\n0.278976 0.767211 0.228010 N\n0.961612 0.950576 0.725982 N\n0.240264 0.773018 0.724841 N\n0.006202 0.462805 0.737030 N\n0.272336 0.037538 0.043213 N\n0.539274 0.264410 0.983651 O\n0.739066 0.016502 0.469503 O\n0.041224 0.273545 0.027580 O\n0.724781 0.234786 0.774891 O\n0.772600 0.549509 0.516464 O\n0.037055 0.047964 0.276616 O\n0.465956 0.739333 0.014486 O\n0.261263 0.988014 0.531557 O\n",
            "nsites": 40,
            "nelements": 3,
            "elements": [
                "Hf",
                "N",
                "O"
            ],
            "chemical_system": "Hf-N-O",
            "density": 10.393559975782146,
            "density_atomic": 0.0780456422076563,
            "volume": 512.5206080510154,
            "volume_molar": 7.71617811021001,
            "formula_full": "Hf16 N16 O8",
            "formula_reduced": "Hf2N2O",
            "formula_anonymous": "AB2C2",
            "energy": -433.42533245,
            "energy_per_atom": -10.83563331125,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -422.15333245,
            "band_gap": 2.0381,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0005315,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:06.101000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-776226",
            "created_at": "2022-09-04T14:44:12.232197Z",
            "structure_string": "Hf16 N16 O8\n1.0\n8.708371 0.000000 0.000000\n-2.879418 8.246423 0.000000\n-2.919942 -4.113937 7.134272\nHf N O\n16 16 8\ndirect\n0.544045 0.793312 0.759351 Hf\n0.787941 0.757025 0.532154 Hf\n0.005237 0.009765 0.997267 Hf\n0.277878 0.744324 0.021250 Hf\n0.508963 0.006657 0.508850 Hf\n0.998000 0.501265 0.500734 Hf\n0.964119 0.711835 0.254523 Hf\n0.747253 0.453756 0.718104 Hf\n0.252297 0.532931 0.285911 Hf\n0.747679 0.962083 0.212208 Hf\n0.245386 0.039066 0.787571 Hf\n0.030798 0.281651 0.738578 Hf\n0.508251 0.498622 0.997863 Hf\n0.214322 0.248659 0.467377 Hf\n0.724559 0.258525 0.975895 Hf\n0.453858 0.211073 0.242362 Hf\n0.771351 0.039734 0.007874 N\n0.479602 0.724437 0.947980 N\n0.949784 0.225102 0.458599 N\n0.529198 0.759420 0.490396 N\n0.031997 0.542562 0.770852 N\n0.464819 0.234189 0.507169 N\n0.729949 0.741753 0.273511 N\n0.972435 0.459019 0.230743 N\n0.985800 0.032835 0.761900 N\n0.768885 0.221287 0.736621 N\n0.741106 0.516469 0.965879 N\n0.050542 0.772991 0.537687 N\n0.235298 0.273935 0.225477 N\n0.517148 0.275583 0.050473 N\n0.272604 0.263781 0.728747 N\n0.228954 0.956461 0.995247 N\n0.545817 0.006549 0.276331 O\n0.272323 0.532254 0.547212 O\n0.015586 0.965260 0.240529 O\n0.226884 0.775671 0.257203 O\n0.259871 0.491499 0.038481 O\n0.759349 0.723611 0.769997 O\n0.451469 0.986327 0.724349 O\n0.728641 0.468721 0.456745 O\n",
            "nsites": 40,
            "nelements": 3,
            "elements": [
                "Hf",
                "N",
                "O"
            ],
            "chemical_system": "Hf-N-O",
            "density": 10.397369185965722,
            "density_atomic": 0.07807424571365174,
            "volume": 512.3328395218267,
            "volume_molar": 7.713351188927329,
            "formula_full": "Hf16 N16 O8",
            "formula_reduced": "Hf2N2O",
            "formula_anonymous": "AB2C2",
            "energy": -433.42354732,
            "energy_per_atom": -10.835588683000001,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -422.15154732,
            "band_gap": 2.0254000000000003,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0015102,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:26.488000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-776259",
            "created_at": "2022-09-04T14:39:24.797926Z",
            "structure_string": "Hf16 N16 O8\n1.0\n8.712349 0.000000 0.000000\n-2.895643 8.236201 0.000000\n-2.921982 -4.094865 7.141452\nHf N O\n16 16 8\ndirect\n0.487385 0.499102 0.499695 Hf\n0.787724 0.537065 0.251475 Hf\n0.036540 0.752399 0.785693 Hf\n0.523122 0.749876 0.281639 Hf\n0.712549 0.969916 0.761034 Hf\n0.996716 0.499668 0.987932 Hf\n0.496997 0.999120 0.000853 Hf\n0.017501 0.006325 0.507553 Hf\n0.759390 0.213007 0.467336 Hf\n0.241896 0.282225 0.030060 Hf\n0.256397 0.796455 0.536860 Hf\n0.749183 0.712868 0.965746 Hf\n0.280434 0.029978 0.240129 Hf\n0.969551 0.242012 0.210547 Hf\n0.466504 0.253425 0.719149 Hf\n0.213889 0.456726 0.748583 Hf\n0.231827 0.265484 0.273962 N\n0.452277 0.724337 0.484098 N\n0.495821 0.961248 0.233517 N\n0.987683 0.759640 0.532061 N\n0.262241 0.033085 0.984145 N\n0.963209 0.225972 0.950030 N\n0.004385 0.232386 0.461142 N\n0.239009 0.226524 0.770479 N\n0.031119 0.772996 0.043733 N\n0.739690 0.964308 0.014606 N\n0.510490 0.043841 0.774790 N\n0.274929 0.545593 0.035537 N\n0.230083 0.989913 0.453719 N\n0.951547 0.465236 0.724591 N\n0.728018 0.456603 0.973747 N\n0.465319 0.513988 0.734166 N\n0.724323 0.276083 0.237932 O\n0.772087 0.736653 0.726226 O\n0.542619 0.489434 0.265862 O\n0.754539 0.768890 0.227872 O\n0.774750 0.011111 0.547320 O\n0.550671 0.278874 0.512198 O\n0.042366 0.528193 0.276810 O\n0.275222 0.729439 0.767173 O\n",
            "nsites": 40,
            "nelements": 3,
            "elements": [
                "Hf",
                "N",
                "O"
            ],
            "chemical_system": "Hf-N-O",
            "density": 10.395058477394214,
            "density_atomic": 0.07805689451398208,
            "volume": 512.4467255462607,
            "volume_molar": 7.715065783101674,
            "formula_full": "Hf16 N16 O8",
            "formula_reduced": "Hf2N2O",
            "formula_anonymous": "AB2C2",
            "energy": -433.41384074000007,
            "energy_per_atom": -10.835346018500001,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -422.14184074,
            "band_gap": 2.0534,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0004432,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:36.813000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-779980",
            "created_at": "2022-09-04T14:45:39.706936Z",
            "structure_string": "Hf16 N16 O8\n1.0\n8.689411 0.000000 0.000000\n-2.887825 8.238642 0.000000\n-2.897289 -4.102341 7.163645\nHf N O\n16 16 8\ndirect\n0.990028 0.001275 0.491169 Hf\n0.251880 0.706991 0.464857 Hf\n0.291878 0.040773 0.250623 Hf\n0.776181 0.527226 0.249188 Hf\n0.741717 0.787987 0.032998 Hf\n0.032181 0.259371 0.285751 Hf\n0.469826 0.747919 0.214888 Hf\n0.489556 0.491285 0.489440 Hf\n0.501025 0.999881 0.011079 Hf\n0.005400 0.491886 0.995769 Hf\n0.966960 0.741542 0.713847 Hf\n0.542623 0.253123 0.785511 Hf\n0.256354 0.214172 0.972837 Hf\n0.713470 0.968511 0.749630 Hf\n0.211296 0.465350 0.750659 Hf\n0.747828 0.285782 0.535194 Hf\n0.733853 0.762860 0.272369 N\n0.988472 0.463603 0.230737 N\n0.533290 0.274606 0.040243 N\n0.543274 0.032305 0.271921 N\n0.511738 0.743529 0.469552 N\n0.225088 0.954917 0.964514 N\n0.260141 0.272085 0.228565 N\n0.730377 0.492750 0.456697 N\n0.485460 0.263024 0.538155 N\n0.774136 0.227681 0.768690 N\n0.774493 0.042309 0.030857 N\n0.467567 0.725826 0.951255 N\n0.238325 0.464374 0.011536 N\n0.011989 0.545877 0.774807 N\n0.273439 0.515993 0.548543 N\n0.954467 0.222197 0.487747 N\n0.960024 0.006012 0.728991 O\n0.451299 0.967092 0.724095 O\n0.059112 0.785377 0.524892 O\n0.039503 0.985420 0.267548 O\n0.221669 0.773507 0.235334 O\n0.749571 0.731177 0.777697 O\n0.757885 0.536114 0.977644 O\n0.266628 0.228292 0.724167 O\n",
            "nsites": 40,
            "nelements": 3,
            "elements": [
                "Hf",
                "N",
                "O"
            ],
            "chemical_system": "Hf-N-O",
            "density": 10.38713156204226,
            "density_atomic": 0.07799737100126743,
            "volume": 512.8377980759122,
            "volume_molar": 7.720953517654001,
            "formula_full": "Hf16 N16 O8",
            "formula_reduced": "Hf2N2O",
            "formula_anonymous": "AB2C2",
            "energy": -433.40852538,
            "energy_per_atom": -10.8352131345,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -422.1365253800001,
            "band_gap": 2.0281,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0005625,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:14.039000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-775783",
            "created_at": "2022-09-04T14:46:36.105150Z",
            "structure_string": "Hf16 N16 O8\n1.0\n8.678219 0.000000 0.000000\n-2.871182 8.262062 0.000000\n-2.898255 -4.127127 7.155919\nHf N O\n16 16 8\ndirect\n0.989337 0.490822 0.000726 Hf\n0.534392 0.748806 0.291713 Hf\n0.250684 0.213141 0.965338 Hf\n0.246415 0.720512 0.471747 Hf\n0.952497 0.238462 0.209905 Hf\n0.497783 0.000037 0.999402 Hf\n0.510668 0.503226 0.499449 Hf\n0.719147 0.463252 0.259606 Hf\n0.220700 0.976346 0.259950 Hf\n0.007828 0.011638 0.511115 Hf\n0.292891 0.532653 0.747083 Hf\n0.773391 0.025320 0.736934 Hf\n0.042636 0.760421 0.786695 Hf\n0.752233 0.790215 0.032982 Hf\n0.748081 0.283293 0.535225 Hf\n0.465920 0.251696 0.707590 Hf\n0.967247 0.514103 0.236829 N\n0.260844 0.766947 0.728102 N\n0.524602 0.769484 0.539352 N\n0.013053 0.044712 0.271653 N\n0.273226 0.011172 0.046179 N\n0.455060 0.464348 0.224552 N\n0.987222 0.955773 0.727816 N\n0.241495 0.965708 0.511352 N\n0.547858 0.541080 0.774102 N\n0.468039 0.229732 0.455961 N\n0.727429 0.986918 0.953620 N\n0.735033 0.225504 0.268927 N\n0.777410 0.547301 0.536113 N\n0.226384 0.275923 0.740419 N\n0.756904 0.030325 0.482101 N\n0.731685 0.266909 0.779663 N\n0.954946 0.722103 0.990778 O\n0.491379 0.763878 0.037632 O\n0.048857 0.277347 0.012992 O\n0.272218 0.735363 0.214328 O\n0.221972 0.447328 0.466136 O\n0.766653 0.724535 0.254432 O\n0.039202 0.493439 0.771148 O\n0.506680 0.230225 0.960354 O\n",
            "nsites": 40,
            "nelements": 3,
            "elements": [
                "Hf",
                "N",
                "O"
            ],
            "chemical_system": "Hf-N-O",
            "density": 10.382242962366973,
            "density_atomic": 0.07796066231800175,
            "volume": 513.0792737090906,
            "volume_molar": 7.7245890182867765,
            "formula_full": "Hf16 N16 O8",
            "formula_reduced": "Hf2N2O",
            "formula_anonymous": "AB2C2",
            "energy": -433.40664504000006,
            "energy_per_atom": -10.835166126,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -422.13464504,
            "band_gap": 2.0671,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0001905,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:43.496000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-1224267",
            "created_at": "2022-09-04T14:40:36.134874Z",
            "structure_string": "Hf1 U1 Ta2 C4\n1.0\n10.963899 -1.613984 0.000000\n10.963899 1.613984 0.000000\n10.726306 0.000000 2.785387\nHf U Ta C\n1 1 2 4\ndirect\n0.995762 0.995762 0.995762 Hf\n0.750940 0.750940 0.750940 U\n0.503575 0.503575 0.503575 Ta\n0.249119 0.249119 0.249119 Ta\n0.876790 0.876790 0.876790 C\n0.620358 0.620358 0.620358 C\n0.370676 0.370676 0.370676 C\n0.132780 0.132780 0.132780 C\n",
            "nsites": 8,
            "nelements": 4,
            "elements": [
                "Hf",
                "U",
                "Ta",
                "C"
            ],
            "chemical_system": "C-Hf-Ta-U",
            "density": 13.921621296668336,
            "density_atomic": 0.0811540495458749,
            "volume": 98.57795199089536,
            "volume_molar": 7.420628784021177,
            "formula_full": "Hf1 U1 Ta2 C4",
            "formula_reduced": "HfU(TaC2)2",
            "formula_anonymous": "ABC2D4",
            "energy": -86.68064089,
            "energy_per_atom": -10.83508011125,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -86.68064089,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 2.81e-05,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:04.974000Z",
            "spacegroup": 160
        },
        {
            "id": "mp-779975",
            "created_at": "2022-09-04T14:42:42.562075Z",
            "structure_string": "Hf16 N16 O8\n1.0\n8.720742 0.000000 0.000000\n-2.913324 8.224790 0.000000\n-2.902704 -4.104301 7.139223\nHf N O\n16 16 8\ndirect\n0.512410 0.499817 0.501017 Hf\n0.206250 0.749454 0.465203 Hf\n0.963664 0.215283 0.249472 Hf\n0.476352 0.719571 0.251127 Hf\n0.294513 0.246095 0.034907 Hf\n0.748344 0.965349 0.714957 Hf\n0.253145 0.035280 0.285763 Hf\n0.240829 0.530918 0.785429 Hf\n0.982816 0.493048 0.995154 Hf\n0.752553 0.471583 0.213275 Hf\n0.000786 0.999086 0.488954 Hf\n0.501684 0.999931 0.000409 Hf\n0.718533 0.759064 0.969740 Hf\n0.535214 0.281884 0.747824 Hf\n0.026335 0.780273 0.751658 Hf\n0.787894 0.249746 0.542281 Hf\n0.768624 0.728376 0.734834 N\n0.540055 0.511569 0.272129 N\n0.956212 0.728434 0.473425 N\n0.504664 0.766844 0.040057 N\n0.737154 0.015628 0.966829 N\n0.013331 0.465979 0.238362 N\n0.048015 0.274394 0.534154 N\n0.761601 0.229040 0.773328 N\n0.726889 0.963661 0.456997 N\n0.996550 0.538942 0.767889 N\n0.969206 0.955735 0.226363 N\n0.258946 0.987177 0.032552 N\n0.487746 0.225706 0.954649 N\n0.771659 0.547218 0.010817 N\n0.273711 0.030204 0.542908 N\n0.536422 0.266168 0.485247 N\n0.228047 0.273189 0.264847 O\n0.461419 0.738999 0.515048 O\n0.279732 0.760555 0.725197 O\n0.451072 0.488278 0.722000 O\n0.245438 0.771864 0.230516 O\n0.725095 0.233709 0.270870 O\n0.034551 0.054972 0.779852 O\n0.222544 0.446977 0.983962 O\n",
            "nsites": 40,
            "nelements": 3,
            "elements": [
                "Hf",
                "N",
                "O"
            ],
            "chemical_system": "Hf-N-O",
            "density": 10.402709124090011,
            "density_atomic": 0.07811434351471606,
            "volume": 512.0698478694165,
            "volume_molar": 7.709391757053531,
            "formula_full": "Hf16 N16 O8",
            "formula_reduced": "Hf2N2O",
            "formula_anonymous": "AB2C2",
            "energy": -433.38922845,
            "energy_per_atom": -10.83473071125,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -422.11722845,
            "band_gap": 2.0039,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0006171,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:09.806000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-779833",
            "created_at": "2022-09-04T14:43:16.672038Z",
            "structure_string": "Hf16 N16 O8\n1.0\n8.693486 0.000000 0.000000\n-2.896663 8.235958 0.000000\n-2.920225 -4.100358 7.150971\nHf N O\n16 16 8\ndirect\n0.998418 0.009859 0.499783 Hf\n0.251528 0.706700 0.464376 Hf\n0.778792 0.530556 0.251703 Hf\n0.285399 0.042568 0.249046 Hf\n0.739877 0.786462 0.034503 Hf\n0.031598 0.260216 0.284406 Hf\n0.535129 0.253439 0.784162 Hf\n0.966442 0.741669 0.714481 Hf\n0.003719 0.490296 0.994716 Hf\n0.499537 0.999410 0.001825 Hf\n0.467197 0.741644 0.212767 Hf\n0.489129 0.489937 0.488824 Hf\n0.258756 0.215679 0.967124 Hf\n0.214755 0.462141 0.749721 Hf\n0.715360 0.969198 0.750818 Hf\n0.755466 0.293013 0.542681 Hf\n0.732065 0.760858 0.271315 N\n0.227797 0.955358 0.965528 N\n0.538343 0.273157 0.043828 N\n0.512420 0.745040 0.470905 N\n0.989903 0.464869 0.230764 N\n0.267857 0.232158 0.724467 N\n0.487382 0.258316 0.531078 N\n0.257524 0.271547 0.227790 N\n0.774977 0.226483 0.767890 N\n0.773104 0.041448 0.031080 N\n0.466901 0.729083 0.955159 N\n0.241152 0.467200 0.018012 N\n0.009728 0.544410 0.774782 N\n0.730692 0.493781 0.457366 N\n0.274142 0.516358 0.549009 N\n0.945879 0.219014 0.481107 N\n0.958618 0.002271 0.729631 O\n0.039248 0.984380 0.266287 O\n0.450806 0.965285 0.728019 O\n0.057513 0.782262 0.523717 O\n0.748648 0.729881 0.778560 O\n0.756679 0.535286 0.977031 O\n0.540984 0.032072 0.269528 O\n0.226530 0.776693 0.236211 O\n",
            "nsites": 40,
            "nelements": 3,
            "elements": [
                "Hf",
                "N",
                "O"
            ],
            "chemical_system": "Hf-N-O",
            "density": 10.404053100463798,
            "density_atomic": 0.07812443548507546,
            "volume": 512.0036996317423,
            "volume_molar": 7.70839587205778,
            "formula_full": "Hf16 N16 O8",
            "formula_reduced": "Hf2N2O",
            "formula_anonymous": "AB2C2",
            "energy": -433.32394671,
            "energy_per_atom": -10.833098667749999,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -422.05194671,
            "band_gap": 1.9989,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0004275,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:13.640000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-1216242",
            "created_at": "2022-09-04T14:48:28.937104Z",
            "structure_string": "W4 N6\n1.0\n4.336413 2.517834 0.000000\n-4.336413 2.517834 0.000000\n0.000000 1.697570 5.105382\nW N\n4 6\ndirect\n0.331049 0.993920 0.008374 W\n0.677052 0.677052 0.984279 W\n0.993920 0.331049 0.008374 W\n0.491165 0.491165 0.523023 W\n0.092507 0.092507 0.749837 N\n0.412313 0.746218 0.747611 N\n0.746218 0.412313 0.747611 N\n0.264280 0.580370 0.250481 N\n0.903789 0.903789 0.251929 N\n0.580370 0.264280 0.250481 N\n",
            "nsites": 10,
            "nelements": 2,
            "elements": [
                "W",
                "N"
            ],
            "chemical_system": "N-W",
            "density": 12.20475857711213,
            "density_atomic": 0.08969826236140309,
            "volume": 111.48487982642317,
            "volume_molar": 6.713776389264047,
            "formula_full": "W4 N6",
            "formula_reduced": "W2N3",
            "formula_anonymous": "A2B3",
            "energy": -108.32267994999998,
            "energy_per_atom": -10.832267994999999,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -106.15667994999998,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0004116,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:39:44.926000Z",
            "spacegroup": 8
        },
        {
            "id": "mp-779864",
            "created_at": "2022-09-04T14:43:20.761926Z",
            "structure_string": "Hf16 N16 O8\n1.0\n8.714518 0.000000 0.000000\n-2.906253 8.225113 0.000000\n-2.903691 -4.102923 7.146083\nHf N O\n16 16 8\ndirect\n0.991267 0.992468 0.492785 Hf\n0.250932 0.714472 0.463382 Hf\n0.286561 0.035098 0.250477 Hf\n0.782528 0.539635 0.259719 Hf\n0.737795 0.787661 0.032209 Hf\n0.970322 0.744399 0.711322 Hf\n0.032853 0.251806 0.287598 Hf\n0.545947 0.255468 0.787292 Hf\n0.012395 0.502283 0.995707 Hf\n0.488402 0.491449 0.489800 Hf\n0.498486 0.000378 0.000851 Hf\n0.458682 0.740662 0.212829 Hf\n0.260225 0.215248 0.975174 Hf\n0.716831 0.969132 0.750723 Hf\n0.210571 0.462779 0.745324 Hf\n0.754092 0.290979 0.541333 Hf\n0.730634 0.762339 0.270815 N\n0.052155 0.778126 0.515934 N\n0.518695 0.746003 0.473188 N\n0.535899 0.273659 0.041773 N\n0.223962 0.772022 0.236097 N\n0.228140 0.954328 0.966430 N\n0.485019 0.259198 0.535663 N\n0.726638 0.489493 0.455882 N\n0.011173 0.543664 0.772339 N\n0.258275 0.271507 0.227321 N\n0.773249 0.045142 0.033515 N\n0.465198 0.728185 0.952859 N\n0.238209 0.462570 0.010382 N\n0.773553 0.228119 0.768408 N\n0.268910 0.512438 0.542911 N\n0.949665 0.219509 0.485876 N\n0.963668 0.009300 0.734893 O\n0.037241 0.992311 0.266525 O\n0.454293 0.966135 0.728039 O\n0.269103 0.231711 0.725063 O\n0.985246 0.455582 0.226606 O\n0.747619 0.730951 0.779275 O\n0.761069 0.537141 0.983276 O\n0.544502 0.036654 0.270406 O\n",
            "nsites": 40,
            "nelements": 3,
            "elements": [
                "Hf",
                "N",
                "O"
            ],
            "chemical_system": "Hf-N-O",
            "density": 10.399737050254242,
            "density_atomic": 0.07809202609780197,
            "volume": 512.2161890114651,
            "volume_molar": 7.71159497444452,
            "formula_full": "Hf16 N16 O8",
            "formula_reduced": "Hf2N2O",
            "formula_anonymous": "AB2C2",
            "energy": -433.2872849,
            "energy_per_atom": -10.832182122499999,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -422.0152849,
            "band_gap": 2.0079,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0001503,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:08.234000Z",
            "spacegroup": 1
        }
    ]
}