GET /third-parties/MatprojStructure/?format=api&ordering=-is_theoretical&page=29
HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept

{
    "count": 146323,
    "next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-is_theoretical&page=30",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-is_theoretical&page=28",
    "results": [
        {
            "id": "mp-530585",
            "created_at": "2022-09-04T14:41:45.382023Z",
            "structure_string": "La14 Mn16 O48\n1.0\n7.850382 0.000000 0.000000\n-3.804676 8.721705 0.000000\n-3.889332 -1.853990 14.032224\nLa Mn O\n14 16 48\ndirect\n0.877206 0.380436 0.876342 La\n0.122810 0.118372 0.628288 La\n0.372908 0.373867 0.875672 La\n0.499694 0.750889 0.748624 La\n0.379472 0.876345 0.373688 La\n0.620528 0.123655 0.626312 La\n0.748245 0.502422 0.500980 La\n0.627092 0.626133 0.124328 La\n0.877190 0.881628 0.371712 La\n0.251755 0.497578 0.499020 La\n0.122794 0.619564 0.123658 La\n0.243563 0.992946 0.996063 La\n0.500306 0.249111 0.251376 La\n0.756437 0.007054 0.003937 La\n0.812684 0.689432 0.935207 Mn\n0.936751 0.059433 0.812412 Mn\n0.060657 0.440061 0.687951 Mn\n0.433326 0.059874 0.812569 Mn\n0.184508 0.810495 0.563538 Mn\n0.310167 0.187847 0.435873 Mn\n0.566463 0.440558 0.688244 Mn\n0.689833 0.812153 0.564127 Mn\n0.433537 0.559442 0.311756 Mn\n0.566674 0.940126 0.187431 Mn\n0.815492 0.189505 0.436462 Mn\n0.939343 0.559939 0.312049 Mn\n0.690062 0.312069 0.065063 Mn\n0.063249 0.940567 0.187588 Mn\n0.187316 0.310568 0.064793 Mn\n0.309938 0.687931 0.934937 Mn\n0.041981 0.265776 0.766231 O\n0.204302 0.072480 0.836373 O\n0.056496 0.685000 0.928975 O\n0.425799 0.893868 0.893291 O\n0.303316 0.928874 0.691152 O\n0.241118 0.576638 0.808089 O\n0.288353 0.012921 0.514066 O\n0.646461 0.538877 0.820724 O\n0.442314 0.805280 0.580319 O\n0.601784 0.212315 0.931838 O\n0.301008 0.436960 0.665452 O\n0.455635 0.236863 0.738488 O\n0.635453 0.629665 0.629477 O\n0.807835 0.412151 0.706185 O\n0.527288 0.671261 0.442532 O\n0.684232 0.075884 0.794778 O\n0.472712 0.328739 0.557468 O\n0.821130 0.868587 0.867906 O\n0.544365 0.763137 0.261512 O\n0.903787 0.287256 0.573202 O\n0.698992 0.563040 0.334548 O\n0.833502 0.969853 0.676977 O\n0.557686 0.194720 0.419681 O\n0.711647 0.987079 0.485934 O\n0.909419 0.398173 0.398945 O\n0.071525 0.179467 0.462449 O\n0.758882 0.423362 0.191911 O\n0.928475 0.820533 0.537551 O\n0.696684 0.071126 0.308848 O\n0.090581 0.601827 0.601055 O\n0.784948 0.515189 0.015827 O\n0.166498 0.030147 0.323023 O\n0.943504 0.315000 0.071025 O\n0.096213 0.712744 0.426798 O\n0.795698 0.927520 0.163627 O\n0.958019 0.734224 0.233769 O\n0.178870 0.131413 0.132094 O\n0.315768 0.924116 0.205222 O\n0.029433 0.166115 0.945184 O\n0.192165 0.587849 0.293815 O\n0.970567 0.833885 0.054816 O\n0.364547 0.370335 0.370523 O\n0.398216 0.787685 0.068162 O\n0.353539 0.461123 0.179276 O\n0.215052 0.484811 0.984173 O\n0.570943 0.683079 0.959715 O\n0.429057 0.316921 0.040285 O\n0.574201 0.106132 0.106709 O\n",
            "nsites": 78,
            "nelements": 3,
            "elements": [
                "La",
                "Mn",
                "O"
            ],
            "chemical_system": "La-Mn-O",
            "density": 6.20762109377089,
            "density_atomic": 0.08118502161605595,
            "volume": 960.7683590808326,
            "volume_molar": 7.417797815562818,
            "formula_full": "La14 Mn16 O48",
            "formula_reduced": "La7Mn8O24",
            "formula_anonymous": "A7B8C24",
            "energy": -677.43591049,
            "energy_per_atom": -8.68507577551282,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -617.77191049,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 0.8220327,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:23.156000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-1047261",
            "created_at": "2022-09-04T14:41:37.298750Z",
            "structure_string": "Sr4 Y2 V4 O14\n1.0\n-2.626721 2.730522 12.832399\n2.626721 -2.730522 12.832399\n2.626721 2.730522 -12.832399\nSr Y V O\n4 2 4 14\ndirect\n0.823009 0.752226 0.942632 Sr\n0.190407 0.247774 0.070783 Sr\n0.690407 0.619624 0.942632 Sr\n0.323009 0.380376 0.070783 Sr\n0.515605 0.500000 0.015605 Y\n0.015605 0.000000 0.015605 Y\n0.435171 0.927283 0.524401 V\n0.597118 0.072717 0.507888 V\n0.097118 0.589229 0.524401 V\n0.935171 0.410771 0.507888 V\n0.010565 0.513953 0.024518 O\n0.510565 0.486047 0.496612 O\n0.213349 0.197586 0.514878 O\n0.317292 0.802414 0.015762 O\n0.817292 0.801530 0.514878 O\n0.713349 0.198470 0.015762 O\n0.708216 0.691855 0.517411 O\n0.825556 0.308145 0.016361 O\n0.325556 0.309194 0.517411 O\n0.208216 0.690806 0.016361 O\n0.868640 0.322493 0.492332 O\n0.169840 0.677507 0.546147 O\n0.669840 0.123693 0.492332 O\n0.368640 0.876307 0.546147 O\n",
            "nsites": 24,
            "nelements": 4,
            "elements": [
                "Sr",
                "Y",
                "V",
                "O"
            ],
            "chemical_system": "O-Sr-V-Y",
            "density": 4.312229964416446,
            "density_atomic": 0.06519041855480862,
            "volume": 368.1522612072522,
            "volume_molar": 9.237769742093167,
            "formula_full": "Sr4 Y2 V4 O14",
            "formula_reduced": "Sr2YV2O7",
            "formula_anonymous": "AB2C2D7",
            "energy": -193.1936286,
            "energy_per_atom": -8.049734525,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -176.7756286,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 2.9072434,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:29.157000Z",
            "spacegroup": 46
        },
        {
            "id": "mp-1206327",
            "created_at": "2022-09-04T14:41:45.398187Z",
            "structure_string": "Th2 Ni1 C2\n1.0\n-1.884757 1.884757 6.154295\n1.884757 -1.884757 6.154295\n1.884757 1.884757 -6.154295\nTh Ni C\n2 1 2\ndirect\n0.353890 0.353890 0.000000 Th\n0.646110 0.646110 0.000000 Th\n0.000000 0.000000 0.000000 Ni\n0.156233 0.156233 0.000000 C\n0.843767 0.843767 0.000000 C\n",
            "nsites": 5,
            "nelements": 3,
            "elements": [
                "Th",
                "Ni",
                "C"
            ],
            "chemical_system": "C-Ni-Th",
            "density": 10.382964291197574,
            "density_atomic": 0.05717694844791282,
            "volume": 87.44782881435007,
            "volume_molar": 10.532462685528,
            "formula_full": "Th2 Ni1 C2",
            "formula_reduced": "Th2NiC2",
            "formula_anonymous": "AB2C2",
            "energy": -40.96905657,
            "energy_per_atom": -8.193811314,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -40.96905657,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 3.67e-05,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:25.974000Z",
            "spacegroup": 139
        },
        {
            "id": "mp-757983",
            "created_at": "2022-09-04T14:41:37.317884Z",
            "structure_string": "Cr3 Co3 Te2 O16\n1.0\n5.814209 -0.014044 0.068028\n-2.919252 5.056196 -0.000565\n0.109080 0.062729 9.117388\nCr Co Te O\n3 3 2 16\ndirect\n0.165349 0.826268 0.217077 Cr\n0.165305 0.339717 0.216872 Cr\n0.336342 0.167888 0.718931 Cr\n0.653368 0.827008 0.212285 Co\n0.825129 0.655516 0.712663 Co\n0.825074 0.169005 0.712750 Co\n0.339128 0.669408 0.493871 Te\n0.671501 0.335880 0.989648 Te\n0.167355 0.834707 0.596730 O\n0.037591 0.518972 0.351416 O\n0.337653 0.669323 0.108246 O\n0.984980 0.992700 0.298105 O\n0.987512 0.993470 0.797148 O\n0.167439 0.332318 0.596692 O\n0.488822 0.962690 0.340835 O\n0.488837 0.526479 0.340630 O\n0.337447 0.168920 0.096020 O\n0.674430 0.836953 0.596901 O\n0.523692 0.485750 0.842991 O\n0.523616 0.037618 0.843139 O\n0.671449 0.335349 0.611955 O\n0.832686 0.666000 0.094666 O\n0.962726 0.481157 0.831368 O\n0.832569 0.167101 0.094781 O\n",
            "nsites": 24,
            "nelements": 4,
            "elements": [
                "Cr",
                "Co",
                "Te",
                "O"
            ],
            "chemical_system": "Co-Cr-O-Te",
            "density": 5.236996018283545,
            "density_atomic": 0.08968361699276244,
            "volume": 267.60740483891084,
            "volume_molar": 6.71487275149261,
            "formula_full": "Cr3 Co3 Te2 O16",
            "formula_reduced": "Cr3Co3(TeO8)2",
            "formula_anonymous": "A2B3C3D16",
            "energy": -173.29839882,
            "energy_per_atom": -7.2207666175,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -151.39539882,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 8.9999285,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:30.654000Z",
            "spacegroup": 8
        },
        {
            "id": "mp-1210244",
            "created_at": "2022-09-04T14:41:45.447442Z",
            "structure_string": "Pr46 Mg8 Pt14\n1.0\n5.113846 -8.857442 0.000000\n5.113846 8.857442 0.000000\n0.000000 0.000000 23.107710\nPr Mg Pt\n46 8 14\ndirect\n0.206009 0.412018 0.720235 Pr\n0.206009 0.793991 0.720235 Pr\n0.793991 0.587982 0.220235 Pr\n0.587982 0.793991 0.720235 Pr\n0.793991 0.206009 0.220235 Pr\n0.412018 0.206009 0.220235 Pr\n0.793634 0.587268 0.946035 Pr\n0.793634 0.206366 0.946035 Pr\n0.206366 0.412732 0.446035 Pr\n0.412732 0.206366 0.946035 Pr\n0.206366 0.793634 0.446035 Pr\n0.587268 0.793634 0.446035 Pr\n0.211828 0.423657 0.990265 Pr\n0.211828 0.788172 0.990265 Pr\n0.788172 0.576343 0.490265 Pr\n0.576343 0.788172 0.990265 Pr\n0.788172 0.211828 0.490265 Pr\n0.423657 0.211828 0.490265 Pr\n0.870758 0.741515 0.635233 Pr\n0.870758 0.129242 0.635233 Pr\n0.129242 0.258485 0.135233 Pr\n0.258485 0.129242 0.635233 Pr\n0.129242 0.870758 0.135233 Pr\n0.741515 0.870758 0.135233 Pr\n0.456369 0.912739 0.856466 Pr\n0.456369 0.543631 0.856466 Pr\n0.543631 0.087261 0.356466 Pr\n0.087261 0.543631 0.856466 Pr\n0.543631 0.456369 0.356466 Pr\n0.912739 0.456369 0.356466 Pr\n0.000000 0.000000 0.998634 Pr\n0.000000 0.000000 0.498634 Pr\n0.461478 0.922955 0.585245 Pr\n0.461478 0.538522 0.585245 Pr\n0.538522 0.077045 0.085245 Pr\n0.077045 0.538522 0.585245 Pr\n0.538522 0.461478 0.085245 Pr\n0.922955 0.461478 0.085245 Pr\n0.797989 0.595977 0.782820 Pr\n0.797989 0.202011 0.782820 Pr\n0.202011 0.404023 0.282820 Pr\n0.404023 0.202011 0.782820 Pr\n0.202011 0.797989 0.282820 Pr\n0.595977 0.797989 0.282820 Pr\n0.666667 0.333333 0.642955 Pr\n0.333333 0.666667 0.142955 Pr\n0.000000 0.000000 0.749814 Mg\n0.000000 0.000000 0.249814 Mg\n0.105993 0.211985 0.863093 Mg\n0.105993 0.894007 0.863093 Mg\n0.894007 0.788015 0.363093 Mg\n0.788015 0.894007 0.863093 Mg\n0.894007 0.105993 0.363093 Mg\n0.211985 0.105993 0.363093 Mg\n0.522341 0.044682 0.710234 Pt\n0.522341 0.477659 0.710234 Pt\n0.477659 0.955318 0.210234 Pt\n0.955318 0.477659 0.710234 Pt\n0.477659 0.522341 0.210234 Pt\n0.044682 0.522341 0.210234 Pt\n0.666667 0.333333 0.861957 Pt\n0.333333 0.666667 0.361957 Pt\n0.143393 0.286786 0.564827 Pt\n0.143393 0.856607 0.564827 Pt\n0.856607 0.713214 0.064827 Pt\n0.713214 0.856607 0.564827 Pt\n0.856607 0.143393 0.064827 Pt\n0.286786 0.143393 0.064827 Pt\n",
            "nsites": 68,
            "nelements": 3,
            "elements": [
                "Pr",
                "Mg",
                "Pt"
            ],
            "chemical_system": "Mg-Pr-Pt",
            "density": 7.4623284315007465,
            "density_atomic": 0.03248374150926608,
            "volume": 2093.354916662011,
            "volume_molar": 18.5389381893775,
            "formula_full": "Pr46 Mg8 Pt14",
            "formula_reduced": "Pr23Mg4Pt7",
            "formula_anonymous": "A4B7C23",
            "energy": -353.01777609,
            "energy_per_atom": -5.19143788367647,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -353.01777609,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.1517639,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:24.790000Z",
            "spacegroup": 186
        },
        {
            "id": "mp-1068212",
            "created_at": "2022-09-04T14:41:36.997588Z",
            "structure_string": "Fe2 O3\n1.0\n3.788512 0.000000 0.000000\n0.000000 3.788512 0.000000\n0.000000 0.000000 3.788512\nFe O\n2 3\ndirect\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.500000 0.000000 O\n",
            "nsites": 5,
            "nelements": 2,
            "elements": [
                "Fe",
                "O"
            ],
            "chemical_system": "Fe-O",
            "density": 4.876586380616339,
            "density_atomic": 0.09195259769513123,
            "volume": 54.37584282912263,
            "volume_molar": 6.549179589212263,
            "formula_full": "Fe2 O3",
            "formula_reduced": "Fe2O3",
            "formula_anonymous": "A2B3",
            "energy": -36.02133414,
            "energy_per_atom": -7.204266828,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -29.44833414,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 8.5502378,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:28.499000Z",
            "spacegroup": 221
        },
        {
            "id": "mp-758844",
            "created_at": "2022-09-04T14:41:37.325500Z",
            "structure_string": "Li24 Cu8 Si8 O32\n1.0\n-5.374083 5.374083 6.466994\n5.374083 -5.374083 6.466994\n5.374083 5.374083 -6.466994\nLi Cu Si O\n24 8 8 32\ndirect\n0.965772 0.099157 0.191251 Li\n0.784228 0.150843 0.308749 Li\n0.849157 0.157906 0.633384 Li\n0.225479 0.034228 0.133384 Li\n0.724170 0.557283 0.140058 Li\n0.437638 0.299750 0.139651 Li\n0.524521 0.215772 0.366616 Li\n0.900843 0.092094 0.866616 Li\n0.700250 0.839901 0.137888 Li\n0.442717 0.582775 0.166888 Li\n0.842094 0.475479 0.691251 Li\n0.907906 0.774521 0.808749 Li\n0.415887 0.275830 0.833112 Li\n0.307283 0.667225 0.333112 Li\n0.702013 0.562362 0.862112 Li\n0.049750 0.410099 0.362112 Li\n0.332775 0.665887 0.640058 Li\n0.589901 0.952013 0.639651 Li\n0.312362 0.950250 0.360349 Li\n0.160099 0.297987 0.860349 Li\n0.025830 0.692717 0.359942 Li\n0.417225 0.584113 0.859942 Li\n0.047987 0.687638 0.637888 Li\n0.334113 0.974170 0.666888 Li\n0.825366 0.316715 0.044590 Cu\n0.219224 0.174634 0.491349 Cu\n0.066715 0.522125 0.991349 Cu\n0.924634 0.933285 0.455410 Cu\n0.477875 0.469224 0.544590 Cu\n0.530776 0.075366 0.008651 Cu\n0.683285 0.727875 0.508651 Cu\n0.272125 0.780776 0.955410 Cu\n0.005151 0.788006 0.151061 Si\n0.744849 0.461994 0.348939 Si\n0.211994 0.363054 0.217144 Si\n0.604090 0.255151 0.717144 Si\n0.145910 0.994849 0.782856 Si\n0.538006 0.886946 0.282856 Si\n0.113054 0.395910 0.651061 Si\n0.636946 0.854090 0.848939 Si\n0.729149 0.004958 0.379530 O\n0.650382 0.270851 0.275809 O\n0.883902 0.489837 0.300888 O\n0.866098 0.760163 0.199112 O\n0.995042 0.374573 0.724191 O\n0.606551 0.513986 0.243404 O\n0.734002 0.171291 0.753859 O\n0.332568 0.269858 0.253859 O\n0.239837 0.438949 0.105935 O\n0.416986 0.116098 0.605935 O\n0.828709 0.582568 0.562710 O\n0.730142 0.984002 0.062710 O\n0.020851 0.245042 0.120470 O\n0.625427 0.349618 0.620470 O\n0.486014 0.729418 0.092565 O\n0.263986 0.520582 0.407435 O\n0.636853 0.393449 0.907435 O\n0.921291 0.667432 0.937290 O\n0.019858 0.265998 0.437290 O\n0.510163 0.811051 0.394065 O\n0.333014 0.133902 0.894065 O\n0.015998 0.078709 0.746141 O\n0.417432 0.980142 0.246141 O\n0.143449 0.736014 0.256596 O\n0.270582 0.363147 0.756596 O\n0.754958 0.875427 0.775809 O\n0.561051 0.666986 0.800888 O\n0.188949 0.583014 0.699112 O\n0.099618 0.979149 0.224191 O\n0.479418 0.886853 0.743404 O\n0.113147 0.856551 0.592565 O\n0.124573 0.900382 0.879530 O\n",
            "nsites": 72,
            "nelements": 4,
            "elements": [
                "Li",
                "Cu",
                "Si",
                "O"
            ],
            "chemical_system": "Cu-Li-O-Si",
            "density": 3.1375794168283346,
            "density_atomic": 0.09637431580759746,
            "volume": 747.0870158366824,
            "volume_molar": 6.248698846301182,
            "formula_full": "Li24 Cu8 Si8 O32",
            "formula_reduced": "Li3CuSiO4",
            "formula_anonymous": "ABC3D4",
            "energy": -447.63786958,
            "energy_per_atom": -6.217192633055555,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -425.65386958,
            "band_gap": 0.8529999999999998,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0001833,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:27.989000Z",
            "spacegroup": 88
        },
        {
            "id": "mp-1245165",
            "created_at": "2022-09-04T14:41:45.808716Z",
            "structure_string": "Ga50 N50\n1.0\n11.082187 0.017022 0.235993\n0.015405 11.436848 -0.058165\n0.241303 -0.057368 11.636566\nGa N\n50 50\ndirect\n0.130588 0.596650 0.558314 Ga\n0.325615 0.432659 0.408757 Ga\n0.953846 0.591916 0.827683 Ga\n0.927346 0.724300 0.657840 Ga\n0.368687 0.214870 0.261762 Ga\n0.485359 0.631385 0.756658 Ga\n0.633795 0.799854 0.630181 Ga\n0.158918 0.778811 0.191996 Ga\n0.363093 0.499226 0.154935 Ga\n0.917887 0.895015 0.164708 Ga\n0.196647 0.808453 0.813070 Ga\n0.189472 0.983942 0.035128 Ga\n0.726178 0.527408 0.689334 Ga\n0.795833 0.260779 0.892731 Ga\n0.067978 0.200908 0.391331 Ga\n0.434273 0.868606 0.901168 Ga\n0.727632 0.193490 0.456932 Ga\n0.661923 0.524007 0.973252 Ga\n0.795554 0.598565 0.207701 Ga\n0.895307 0.036152 0.585695 Ga\n0.939917 0.009765 0.341074 Ga\n0.513775 0.670972 0.141324 Ga\n0.837153 0.343238 0.333147 Ga\n0.587204 0.422942 0.289331 Ga\n0.320958 0.386618 0.615906 Ga\n0.578822 0.053737 0.363224 Ga\n0.114878 0.167217 0.150749 Ga\n0.061822 0.452014 0.298561 Ga\n0.263371 0.673866 0.345464 Ga\n0.687326 0.935923 0.994955 Ga\n0.976213 0.377540 0.059235 Ga\n0.463350 0.587855 0.511473 Ga\n0.117291 0.296143 0.703551 Ga\n0.957590 0.393399 0.577817 Ga\n0.448960 0.928916 0.144203 Ga\n0.978430 0.069691 0.938367 Ga\n0.828212 0.980889 0.786258 Ga\n0.748897 0.750132 0.873818 Ga\n0.345546 0.809072 0.627441 Ga\n0.947383 0.765805 0.378425 Ga\n0.818896 0.146502 0.150778 Ga\n0.692944 0.851077 0.266571 Ga\n0.141287 0.062534 0.779076 Ga\n0.249413 0.531909 0.813778 Ga\n0.273129 0.994660 0.315627 Ga\n0.115592 0.611642 0.036827 Ga\n0.126823 0.910293 0.475908 Ga\n0.431607 0.814982 0.400070 Ga\n0.762659 0.601259 0.456976 Ga\n0.964316 0.776073 0.956915 Ga\n0.350628 0.111092 0.552818 N\n0.695885 0.349935 0.662535 N\n0.553497 0.270006 0.496268 N\n0.030403 0.062039 0.476921 N\n0.181266 0.533681 0.385756 N\n0.269074 0.942991 0.887701 N\n0.899844 0.462359 0.219493 N\n0.165495 0.663031 0.881202 N\n0.703885 0.902799 0.438459 N\n0.464576 0.613207 0.924701 N\n0.862331 0.540937 0.580987 N\n0.778756 0.821577 0.715961 N\n0.016561 0.445127 0.891061 N\n0.701390 0.366890 0.021695 N\n0.300572 0.209809 0.868454 N\n0.119665 0.410110 0.835267 N\n0.455923 0.185908 0.058330 N\n0.602387 0.058613 0.658360 N\n0.995009 0.348393 0.418174 N\n0.674528 0.623110 0.101440 N\n0.131311 0.385049 0.148998 N\n0.205072 0.472442 0.100564 N\n0.517974 0.310550 0.835331 N\n0.842677 0.758644 0.242078 N\n0.035750 0.867834 0.625998 N\n0.268513 0.909267 0.162475 N\n0.618458 0.627220 0.587980 N\n0.525730 0.809541 0.244914 N\n0.089744 0.899141 0.719958 N\n0.690293 0.261381 0.192537 N\n0.588051 0.090619 0.749337 N\n0.016676 0.920208 0.027211 N\n0.804744 0.955576 0.455781 N\n0.957920 0.157780 0.250926 N\n0.442595 0.062253 0.264903 N\n0.210377 0.159047 0.297405 N\n0.449405 0.709644 0.982883 N\n0.663391 0.348720 0.127140 N\n0.767739 0.304784 0.596416 N\n0.910420 0.209798 0.016987 N\n0.756775 0.978920 0.148610 N\n0.322615 0.055122 0.628782 N\n0.516942 0.313923 0.580500 N\n0.263295 0.264674 0.942924 N\n0.408559 0.373579 0.265952 N\n0.359449 0.551763 0.672211 N\n0.485231 0.804907 0.737322 N\n0.543039 0.163628 0.012189 N\n0.488411 0.404411 0.835444 N\n0.755619 0.578333 0.842491 N\n",
            "nsites": 100,
            "nelements": 2,
            "elements": [
                "Ga",
                "N"
            ],
            "chemical_system": "Ga-N",
            "density": 4.71569513042695,
            "density_atomic": 0.06783394629741082,
            "volume": 1474.188152957525,
            "volume_molar": 8.877768563834627,
            "formula_full": "Ga50 N50",
            "formula_reduced": "GaN",
            "formula_anonymous": "AB",
            "energy": -562.00734453,
            "energy_per_atom": -5.620073445299999,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -543.95734453,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0005072,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:21.968000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-1175664",
            "created_at": "2022-09-04T14:41:45.485052Z",
            "structure_string": "Li9 Mn2 Co5 O16\n1.0\n-2.954350 0.000000 0.000000\n-0.217087 -9.860785 0.000000\n1.376447 2.950428 9.799956\nLi Mn Co O\n9 2 5 16\ndirect\n0.451319 0.685346 0.887283 Li\n0.948416 0.195198 0.881291 Li\n0.051584 0.804802 0.118709 Li\n0.548681 0.314654 0.112717 Li\n0.690475 0.941437 0.375251 Li\n0.193163 0.436471 0.376169 Li\n0.309525 0.058563 0.624749 Li\n0.806837 0.563529 0.623831 Li\n0.000000 0.500000 0.000000 Li\n0.387335 0.377197 0.756574 Mn\n0.612665 0.622803 0.243426 Mn\n0.877651 0.872137 0.749578 Co\n0.500000 0.000000 0.000000 Co\n0.122349 0.127863 0.250422 Co\n0.244901 0.747457 0.501144 Co\n0.755099 0.252543 0.498856 Co\n0.901655 0.511220 0.802907 O\n0.408537 0.022699 0.817578 O\n0.538802 0.657871 0.077784 O\n0.029542 0.152077 0.068884 O\n0.138839 0.763309 0.315393 O\n0.651180 0.274511 0.319060 O\n0.818427 0.898106 0.565740 O\n0.320939 0.394516 0.565078 O\n0.970458 0.847923 0.931116 O\n0.461198 0.342129 0.922216 O\n0.591463 0.977301 0.182422 O\n0.098345 0.488780 0.197093 O\n0.181573 0.101894 0.434260 O\n0.679061 0.605484 0.434922 O\n0.861161 0.236691 0.684607 O\n0.348820 0.725489 0.680940 O\n",
            "nsites": 32,
            "nelements": 4,
            "elements": [
                "Li",
                "Mn",
                "Co",
                "O"
            ],
            "chemical_system": "Co-Li-Mn-O",
            "density": 4.205239301398513,
            "density_atomic": 0.11208627030378715,
            "volume": 285.4943777973027,
            "volume_molar": 5.372772904012424,
            "formula_full": "Li9 Mn2 Co5 O16",
            "formula_reduced": "Li9Mn2Co5O16",
            "formula_anonymous": "A2B5C9D16",
            "energy": -209.02161249,
            "energy_per_atom": -6.5319253903125,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -186.50361249,
            "band_gap": 1.0705,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 5.999797,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:20.711000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-1179493",
            "created_at": "2022-09-04T14:41:45.489831Z",
            "structure_string": "Sm3 In3 Ni3\n1.0\n7.915956 0.042553 0.000000\n-3.921126 6.876696 0.000000\n0.000000 0.000000 3.659767\nSm In Ni\n3 3 3\ndirect\n0.337302 0.337302 0.500000 Sm\n0.665534 0.001702 0.500000 Sm\n0.001702 0.665534 0.500000 Sm\n0.668931 0.668931 0.000000 In\n0.331492 0.000345 0.000000 In\n0.000345 0.331492 0.000000 In\n0.998148 0.998148 0.000000 Ni\n0.665143 0.331502 0.000000 Ni\n0.331502 0.665143 0.000000 Ni\n",
            "nsites": 9,
            "nelements": 3,
            "elements": [
                "Sm",
                "In",
                "Ni"
            ],
            "chemical_system": "In-Ni-Sm",
            "density": 8.073784556713901,
            "density_atomic": 0.04503775302473252,
            "volume": 199.83234943043544,
            "volume_molar": 13.371317074128756,
            "formula_full": "Sm3 In3 Ni3",
            "formula_reduced": "SmInNi",
            "formula_anonymous": "ABC",
            "energy": -42.80297304,
            "energy_per_atom": -4.755885893333333,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -42.80297304,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0049141,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:22.150000Z",
            "spacegroup": 187
        },
        {
            "id": "mp-1216724",
            "created_at": "2022-09-04T14:41:37.040233Z",
            "structure_string": "V1 Fe2 S4\n1.0\n1.603252 5.910195 0.000000\n-1.603252 5.910195 0.000000\n0.000000 2.445962 5.178454\nV Fe S\n1 2 4\ndirect\n0.260461 0.260461 0.684858 V\n0.002941 0.002941 0.998436 Fe\n0.735032 0.735032 0.318664 Fe\n0.639686 0.639686 0.025386 S\n0.361378 0.361378 0.988687 S\n0.106808 0.106808 0.552809 S\n0.893695 0.893695 0.431160 S\n",
            "nsites": 7,
            "nelements": 3,
            "elements": [
                "V",
                "Fe",
                "S"
            ],
            "chemical_system": "Fe-S-V",
            "density": 4.922054403236986,
            "density_atomic": 0.07132870200208681,
            "volume": 98.1372127000882,
            "volume_molar": 8.442801552485584,
            "formula_full": "V1 Fe2 S4",
            "formula_reduced": "V(FeS2)2",
            "formula_anonymous": "AB2C4",
            "energy": -48.88720946,
            "energy_per_atom": -6.983887065714286,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -46.87520946,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 1.1958865,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:30.037000Z",
            "spacegroup": 8
        },
        {
            "id": "mp-867841",
            "created_at": "2022-09-04T14:41:46.257344Z",
            "structure_string": "Ga1 Tc1\n1.0\n1.448388 -2.508682 0.000000\n1.448388 2.508682 0.000000\n0.000000 0.000000 4.090915\nGa Tc\n1 1\ndirect\n0.666667 0.333333 0.500000 Ga\n0.333333 0.666667 0.000000 Tc\n",
            "nsites": 2,
            "nelements": 2,
            "elements": [
                "Ga",
                "Tc"
            ],
            "chemical_system": "Ga-Tc",
            "density": 9.368298842975983,
            "density_atomic": 0.06727427285899142,
            "volume": 29.729046706934326,
            "volume_molar": 8.95162519648865,
            "formula_full": "Ga1 Tc1",
            "formula_reduced": "GaTc",
            "formula_anonymous": "AB",
            "energy": -13.57497241,
            "energy_per_atom": -6.787486205,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -13.57497241,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0005343,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:23.431000Z",
            "spacegroup": 187
        }
    ]
}