GET /third-parties/MatprojStructure/?format=api&ordering=band_gap&page=52
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=band_gap&page=53",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=band_gap&page=51",
    "results": [
        {
            "id": "mp-1049069",
            "created_at": "2022-09-04T14:39:37.510362Z",
            "structure_string": "La2 Zn2 Cr2 Cu2 O12\n1.0\n5.425481 0.000000 0.000000\n0.000000 5.432231 0.000000\n0.000000 5.347213 7.600495\nLa Zn Cr Cu O\n2 2 2 2 12\ndirect\n0.290872 0.749416 0.247765 La\n0.709128 0.749416 0.747765 La\n0.781454 0.254517 0.235412 Zn\n0.218546 0.254517 0.735412 Zn\n0.237434 0.989025 0.495407 Cr\n0.762566 0.989025 0.995407 Cr\n0.243117 0.488846 0.000612 Cu\n0.756883 0.488846 0.500612 Cu\n0.822381 0.322077 0.752518 O\n0.981893 0.138599 0.070825 O\n0.036087 0.761355 0.455033 O\n0.546349 0.264246 0.053956 O\n0.543700 0.914387 0.439131 O\n0.278722 0.617532 0.749340 O\n0.177619 0.322077 0.252518 O\n0.018107 0.138599 0.570825 O\n0.963913 0.761355 0.955033 O\n0.453651 0.264246 0.553956 O\n0.456300 0.914387 0.939131 O\n0.721278 0.617532 0.249340 O\n",
            "nsites": 20,
            "nelements": 5,
            "elements": [
                "La",
                "Zn",
                "Cr",
                "Cu",
                "O"
            ],
            "chemical_system": "Cr-Cu-La-O-Zn",
            "density": 6.165389898227551,
            "density_atomic": 0.08928358939035429,
            "volume": 224.00533106435225,
            "volume_molar": 6.744958173299651,
            "formula_full": "La2 Zn2 Cr2 Cu2 O12",
            "formula_reduced": "LaZnCrCuO6",
            "formula_anonymous": "ABCDE6",
            "energy": -140.01842874,
            "energy_per_atom": -7.000921437,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -127.77642874,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 3.998707,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:29.003000Z",
            "spacegroup": 7
        },
        {
            "id": "mp-1008820",
            "created_at": "2022-09-04T14:39:37.653992Z",
            "structure_string": "Pd1 N2\n1.0\n0.000000 2.486518 2.486518\n2.486518 0.000000 2.486518\n2.486518 2.486518 0.000000\nPd N\n1 2\ndirect\n0.000000 0.000000 0.000000 Pd\n0.750000 0.750000 0.750000 N\n0.250000 0.250000 0.250000 N\n",
            "nsites": 3,
            "nelements": 2,
            "elements": [
                "Pd",
                "N"
            ],
            "chemical_system": "N-Pd",
            "density": 7.260248104418468,
            "density_atomic": 0.09757002958886853,
            "volume": 30.74714656376676,
            "volume_molar": 6.172121485845125,
            "formula_full": "Pd1 N2",
            "formula_reduced": "PdN2",
            "formula_anonymous": "AB2",
            "energy": -17.60115077,
            "energy_per_atom": -5.8670502566666665,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -16.87915077,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.001032,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:29.114000Z",
            "spacegroup": 225
        },
        {
            "id": "mp-674968",
            "created_at": "2022-09-04T14:39:38.167341Z",
            "structure_string": "Ag33 Pb14 O42\n1.0\n8.879979 0.000000 0.000000\n2.739943 8.448325 0.000000\n1.430832 0.970304 19.169981\nAg Pb O\n33 14 42\ndirect\n0.928725 0.430463 0.857965 Ag\n0.212929 0.215413 0.929935 Ag\n0.042162 0.041729 0.819455 Ag\n0.428443 0.928985 0.857180 Ag\n0.358131 0.856945 0.713717 Ag\n0.641730 0.642759 0.785990 Ag\n0.470921 0.471100 0.677936 Ag\n0.857586 0.358189 0.713712 Ag\n0.784094 0.288916 0.571247 Ag\n0.820156 0.812610 0.896405 Ag\n0.071693 0.071553 0.642683 Ag\n0.899217 0.899290 0.533233 Ag\n0.289015 0.783992 0.571189 Ag\n0.215906 0.711084 0.428753 Ag\n0.243477 0.243181 0.752583 Ag\n0.328443 0.328682 0.393212 Ag\n0.710985 0.216008 0.428811 Ag\n0.641869 0.143055 0.286283 Ag\n0.671557 0.671318 0.606788 Ag\n0.928307 0.928447 0.357317 Ag\n0.756523 0.756819 0.247417 Ag\n0.142414 0.641811 0.286288 Ag\n0.071275 0.569537 0.142035 Ag\n0.100783 0.100710 0.466767 Ag\n0.358270 0.357241 0.214010 Ag\n0.179844 0.187390 0.103595 Ag\n0.571557 0.071015 0.142820 Ag\n0.500000 0.000000 0.000000 Ag\n0.529079 0.528900 0.322064 Ag\n0.787071 0.784587 0.070065 Ag\n0.612416 0.614082 0.962155 Ag\n0.957838 0.958271 0.180545 Ag\n0.387584 0.385918 0.037845 Ag\n0.256453 0.596427 0.859314 Pb\n0.595544 0.263024 0.858042 Pb\n0.689583 0.024338 0.713620 Pb\n0.024829 0.689475 0.713872 Pb\n0.124686 0.451428 0.569782 Pb\n0.451462 0.124942 0.569768 Pb\n0.548538 0.875058 0.430232 Pb\n0.875314 0.548572 0.430218 Pb\n0.975171 0.310525 0.286128 Pb\n0.310417 0.975662 0.286380 Pb\n0.404456 0.736976 0.141958 Pb\n0.743547 0.403573 0.140686 Pb\n0.836718 0.170500 0.000966 Pb\n0.163282 0.829500 0.999034 Pb\n0.368414 0.743322 0.918878 O\n0.113677 0.490280 0.795501 O\n0.362365 0.364570 0.920749 O\n0.489176 0.494384 0.796174 O\n0.744059 0.368898 0.919349 O\n0.490291 0.114536 0.795630 O\n0.795204 0.172349 0.775638 O\n0.541626 0.922027 0.650820 O\n0.792020 0.793204 0.777014 O\n0.921771 0.920991 0.651416 O\n0.172415 0.794488 0.775792 O\n0.921643 0.542120 0.651075 O\n0.226847 0.599807 0.632775 O\n0.970773 0.347969 0.509897 O\n0.221079 0.221879 0.635013 O\n0.347635 0.347055 0.508234 O\n0.599785 0.226723 0.632973 O\n0.347632 0.970875 0.510061 O\n0.652368 0.029125 0.489939 O\n0.400215 0.773277 0.367027 O\n0.652365 0.652945 0.491766 O\n0.778921 0.778121 0.364987 O\n0.029227 0.652031 0.490103 O\n0.773153 0.400193 0.367225 O\n0.078357 0.457880 0.348925 O\n0.827585 0.205512 0.224208 O\n0.078229 0.079009 0.348584 O\n0.207980 0.206796 0.222986 O\n0.458374 0.077973 0.349180 O\n0.204796 0.827651 0.224362 O\n0.509709 0.885464 0.204370 O\n0.255941 0.631102 0.080651 O\n0.510824 0.505616 0.203826 O\n0.637635 0.635430 0.079251 O\n0.886323 0.509720 0.204499 O\n0.631586 0.256678 0.081122 O\n0.938923 0.310494 0.062839 O\n0.687913 0.063864 0.939294 O\n0.935056 0.935943 0.062441 O\n0.064944 0.064057 0.937559 O\n0.312087 0.936136 0.060706 O\n0.061077 0.689506 0.937161 O\n",
            "nsites": 89,
            "nelements": 3,
            "elements": [
                "Ag",
                "Pb",
                "O"
            ],
            "chemical_system": "Ag-O-Pb",
            "density": 8.2353507680394,
            "density_atomic": 0.06188505382715826,
            "volume": 1438.1501589797817,
            "volume_molar": 9.731171563362498,
            "formula_full": "Ag33 Pb14 O42",
            "formula_reduced": "Ag33(PbO3)14",
            "formula_anonymous": "A14B33C42",
            "energy": -425.78327881,
            "energy_per_atom": -4.784081784382023,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -396.92927881,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.422051,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:39.529000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-1181975",
            "created_at": "2022-09-04T14:39:37.314486Z",
            "structure_string": "Ca1 Co1 Cu3 Se4\n1.0\n5.910841 0.000000 0.000000\n0.000000 5.910841 0.000000\n0.000000 0.000000 5.910841\nCa Co Cu Se\n1 1 3 4\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Co\n0.000000 0.500000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.000000 0.000000 Cu\n0.230534 0.230534 0.230534 Se\n0.769466 0.769466 0.230534 Se\n0.230534 0.769466 0.769466 Se\n0.769466 0.230534 0.769466 Se\n",
            "nsites": 9,
            "nelements": 4,
            "elements": [
                "Ca",
                "Co",
                "Cu",
                "Se"
            ],
            "chemical_system": "Ca-Co-Cu-Se",
            "density": 4.868640009230719,
            "density_atomic": 0.04358074781159158,
            "volume": 206.5132071369869,
            "volume_molar": 13.818351135310795,
            "formula_full": "Ca1 Co1 Cu3 Se4",
            "formula_reduced": "CaCoCu3Se4",
            "formula_anonymous": "ABC3D4",
            "energy": -41.02672521,
            "energy_per_atom": -4.558525023333334,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -39.13872521,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 3.6867576,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:28.140000Z",
            "spacegroup": 215
        },
        {
            "id": "mp-1521174",
            "created_at": "2022-09-04T14:39:36.441346Z",
            "structure_string": "Nd1 Dy1 Ni4 O12\n1.0\n0.000000 -3.631852 -3.824990\n0.000000 -3.631852 3.824990\n-7.650591 0.000000 0.000000\nNd Dy Ni O\n1 1 4 12\ndirect\n0.972728 0.027272 -0.000000 Nd\n0.521984 0.478016 0.500000 Dy\n0.499248 0.994286 0.255108 Ni\n0.499248 0.994286 0.744892 Ni\n0.005714 0.500752 0.744892 Ni\n0.005714 0.500752 0.255108 Ni\n0.213096 0.210877 0.250691 O\n0.789123 0.786904 0.250691 O\n0.789123 0.786904 0.749309 O\n0.213096 0.210877 0.749309 O\n0.300274 0.699726 0.303327 O\n0.709209 0.290791 0.204696 O\n0.709209 0.290791 0.795304 O\n0.300274 0.699726 0.696673 O\n0.445709 0.962545 -0.000000 O\n0.540606 0.057911 0.500000 O\n0.037455 0.554291 -0.000000 O\n0.942089 0.459394 0.500000 O\n",
            "nsites": 18,
            "nelements": 4,
            "elements": [
                "Nd",
                "Dy",
                "Ni",
                "O"
            ],
            "chemical_system": "Dy-Nd-Ni-O",
            "density": 5.730212948399267,
            "density_atomic": 0.08468160439543504,
            "volume": 212.56092310138533,
            "volume_molar": 7.111509994400434,
            "formula_full": "Nd1 Dy1 Ni4 O12",
            "formula_reduced": "NdDy(NiO3)4",
            "formula_anonymous": "ABC4D12",
            "energy": -114.48730903,
            "energy_per_atom": -6.360406057222223,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -96.07930903,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 7.9321343,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:40.273000Z",
            "spacegroup": 38
        },
        {
            "id": "mp-567900",
            "created_at": "2022-09-04T14:39:36.006296Z",
            "structure_string": "Lu8 Fe56 C4\n1.0\n8.688759 0.000000 0.000000\n0.000000 8.688759 0.000000\n0.000000 0.000000 11.600453\nLu Fe C\n8 56 4\ndirect\n0.356548 0.356548 0.500000 Lu\n0.856548 0.143452 0.000000 Lu\n0.143452 0.856548 0.000000 Lu\n0.741787 0.741787 0.000000 Lu\n0.241787 0.758213 0.500000 Lu\n0.758213 0.241787 0.500000 Lu\n0.643452 0.643452 0.500000 Lu\n0.258213 0.258213 0.000000 Lu\n0.096776 0.096776 0.798606 Fe\n0.642816 0.963956 0.825582 Fe\n0.684187 0.684187 0.754592 Fe\n0.564093 0.225176 0.119966 Fe\n0.935907 0.725176 0.380034 Fe\n0.142816 0.536044 0.674418 Fe\n0.642816 0.963956 0.174418 Fe\n0.774824 0.435907 0.880034 Fe\n0.536044 0.142816 0.674418 Fe\n0.857184 0.463956 0.674418 Fe\n0.684187 0.684187 0.245408 Fe\n0.000000 0.000000 0.608398 Fe\n0.403224 0.596776 0.298606 Fe\n0.225176 0.564093 0.880034 Fe\n0.963956 0.642816 0.174418 Fe\n0.357184 0.036044 0.825582 Fe\n0.725176 0.935907 0.380034 Fe\n0.064093 0.274824 0.619966 Fe\n0.815813 0.184187 0.254592 Fe\n0.274824 0.064093 0.380034 Fe\n0.403224 0.596776 0.701394 Fe\n0.225176 0.564093 0.119966 Fe\n0.903224 0.903224 0.798606 Fe\n0.463956 0.857184 0.325582 Fe\n0.935907 0.725176 0.619966 Fe\n0.142816 0.536044 0.325582 Fe\n0.357184 0.036044 0.174418 Fe\n0.725176 0.935907 0.619966 Fe\n0.564093 0.225176 0.880034 Fe\n0.903224 0.903224 0.201394 Fe\n0.184187 0.815813 0.254592 Fe\n0.536044 0.142816 0.325582 Fe\n0.036044 0.357184 0.174418 Fe\n0.274824 0.064093 0.619966 Fe\n0.596776 0.403224 0.701394 Fe\n0.500000 0.000000 0.000000 Fe\n0.064093 0.274824 0.380034 Fe\n0.315813 0.315813 0.245408 Fe\n0.000000 0.000000 0.391602 Fe\n0.184187 0.815813 0.745408 Fe\n0.500000 0.500000 0.891602 Fe\n0.435907 0.774824 0.119966 Fe\n0.096776 0.096776 0.201394 Fe\n0.463956 0.857184 0.674418 Fe\n0.815813 0.184187 0.745408 Fe\n0.963956 0.642816 0.825582 Fe\n0.315813 0.315813 0.754592 Fe\n0.857184 0.463956 0.325582 Fe\n0.774824 0.435907 0.119966 Fe\n0.500000 0.000000 0.500000 Fe\n0.036044 0.357184 0.825582 Fe\n0.596776 0.403224 0.298606 Fe\n0.435907 0.774824 0.880034 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 0.500000 0.108398 Fe\n0.000000 0.500000 0.500000 Fe\n0.128045 0.128045 0.500000 C\n0.871955 0.871955 0.500000 C\n0.371955 0.628045 0.000000 C\n0.628045 0.371955 0.000000 C\n",
            "nsites": 68,
            "nelements": 3,
            "elements": [
                "Lu",
                "Fe",
                "C"
            ],
            "chemical_system": "C-Fe-Lu",
            "density": 8.67479305390144,
            "density_atomic": 0.07764588799636914,
            "volume": 875.7707813603704,
            "volume_molar": 7.75590429242255,
            "formula_full": "Lu8 Fe56 C4",
            "formula_reduced": "Lu2Fe14C",
            "formula_anonymous": "AB2C14",
            "energy": -553.4783054,
            "energy_per_atom": -8.139386844117647,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -553.4783054,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 119.6856722,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:25.889000Z",
            "spacegroup": 136
        },
        {
            "id": "mp-1100694",
            "created_at": "2022-09-04T14:39:37.330197Z",
            "structure_string": "Li9 Mn2 Co5 O16\n1.0\n11.356971 0.000000 0.000000\n0.000000 5.200717 0.000000\n0.000000 1.974891 4.819411\nLi Mn Co O\n9 2 5 16\ndirect\n0.253325 0.500000 0.000000 Li\n0.376964 0.500000 0.500000 Li\n0.500000 0.500000 0.000000 Li\n0.623036 0.500000 0.500000 Li\n0.746675 0.500000 0.000000 Li\n0.875835 0.500000 0.500000 Li\n0.000000 0.500000 0.000000 Li\n0.124165 0.500000 0.500000 Li\n0.500000 0.000000 0.500000 Li\n0.127926 0.000000 0.000000 Mn\n0.872074 0.000000 0.000000 Mn\n0.251574 0.000000 0.500000 Co\n0.376059 0.000000 0.000000 Co\n0.623941 0.000000 0.000000 Co\n0.748426 0.000000 0.500000 Co\n0.000000 0.000000 0.500000 Co\n0.254696 0.235797 0.773448 O\n0.369106 0.206053 0.242511 O\n0.500000 0.231836 0.787898 O\n0.630894 0.206053 0.242511 O\n0.745304 0.235797 0.773448 O\n0.874724 0.226787 0.277957 O\n0.000000 0.233773 0.773177 O\n0.125276 0.226787 0.277957 O\n0.254696 0.764203 0.226552 O\n0.369106 0.793947 0.757489 O\n0.500000 0.768164 0.212102 O\n0.630894 0.793947 0.757489 O\n0.745304 0.764203 0.226552 O\n0.874724 0.773213 0.722043 O\n0.000000 0.766227 0.226823 O\n0.125276 0.773213 0.722043 O\n",
            "nsites": 32,
            "nelements": 4,
            "elements": [
                "Li",
                "Mn",
                "Co",
                "O"
            ],
            "chemical_system": "Co-Li-Mn-O",
            "density": 4.217630909131964,
            "density_atomic": 0.11241655569169555,
            "volume": 284.6555812273824,
            "volume_molar": 5.356987432096595,
            "formula_full": "Li9 Mn2 Co5 O16",
            "formula_reduced": "Li9Mn2Co5O16",
            "formula_anonymous": "A2B5C9D16",
            "energy": -203.95741198,
            "energy_per_atom": -6.373669124375,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -181.43941198,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 1.9705218,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:37.008000Z",
            "spacegroup": 10
        },
        {
            "id": "mp-1014257",
            "created_at": "2022-09-04T14:39:36.010977Z",
            "structure_string": "Ti6 Zn2 N2\n1.0\n1.540034 -5.357405 0.000000\n1.540034 5.357405 0.000000\n0.000000 0.000000 8.344637\nTi Zn N\n6 2 2\ndirect\n0.624437 0.375563 0.541888 Ti\n0.375563 0.624437 0.041888 Ti\n0.375563 0.624437 0.458112 Ti\n0.624437 0.375563 0.958112 Ti\n0.962115 0.037885 0.750000 Ti\n0.037885 0.962115 0.250000 Ti\n0.254401 0.745599 0.750000 Zn\n0.745599 0.254401 0.250000 Zn\n0.000000 0.000000 0.500000 N\n0.000000 0.000000 0.000000 N\n",
            "nsites": 10,
            "nelements": 3,
            "elements": [
                "Ti",
                "Zn",
                "N"
            ],
            "chemical_system": "N-Ti-Zn",
            "density": 5.378909604500915,
            "density_atomic": 0.07262359900584714,
            "volume": 137.69628794071292,
            "volume_molar": 8.292264281084638,
            "formula_full": "Ti6 Zn2 N2",
            "formula_reduced": "Ti3ZnN",
            "formula_anonymous": "ABC3",
            "energy": -76.28054908,
            "energy_per_atom": -7.628054908,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -75.55854908,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0146169,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:28.511000Z",
            "spacegroup": 63
        },
        {
            "id": "mp-631661",
            "created_at": "2022-09-04T14:39:39.315899Z",
            "structure_string": "Y2 Fe1 B1\n1.0\n0.000000 3.226110 3.226110\n3.226110 0.000000 3.226110\n3.226110 3.226110 0.000000\nY Fe B\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Y\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 Fe\n0.250000 0.250000 0.250000 B\n",
            "nsites": 4,
            "nelements": 3,
            "elements": [
                "Y",
                "Fe",
                "B"
            ],
            "chemical_system": "B-Fe-Y",
            "density": 6.045094221503624,
            "density_atomic": 0.05956518316642735,
            "volume": 67.15332325637026,
            "volume_molar": 10.110169128791082,
            "formula_full": "Y2 Fe1 B1",
            "formula_reduced": "Y2FeB",
            "formula_anonymous": "ABC2",
            "energy": -25.45132994,
            "energy_per_atom": -6.362832485,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -25.45132994,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 0.9991606,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:33.493000Z",
            "spacegroup": 216
        },
        {
            "id": "mp-1214016",
            "created_at": "2022-09-04T14:39:39.097643Z",
            "structure_string": "Ca10 Sn6\n1.0\n-4.064721 4.064721 7.795283\n4.064721 -4.064721 7.795283\n4.064721 4.064721 -7.795283\nCa Sn\n10 6\ndirect\n0.817359 0.317359 0.849128 Ca\n0.182641 0.682641 0.150872 Ca\n0.468231 0.968231 0.150872 Ca\n0.317359 0.468231 0.500000 Ca\n0.031769 0.182641 0.500000 Ca\n0.531769 0.031769 0.849128 Ca\n0.682641 0.531769 0.500000 Ca\n0.968231 0.817359 0.500000 Ca\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.000000 Ca\n0.125714 0.625714 0.751429 Sn\n0.874286 0.374286 0.248571 Sn\n0.625714 0.874286 0.500000 Sn\n0.374286 0.125714 0.500000 Sn\n0.250000 0.250000 0.000000 Sn\n0.750000 0.750000 0.000000 Sn\n",
            "nsites": 16,
            "nelements": 2,
            "elements": [
                "Ca",
                "Sn"
            ],
            "chemical_system": "Ca-Sn",
            "density": 3.5876206023160453,
            "density_atomic": 0.031057509190094857,
            "volume": 515.1733161235887,
            "volume_molar": 19.39028890932643,
            "formula_full": "Ca10 Sn6",
            "formula_reduced": "Ca5Sn3",
            "formula_anonymous": "A3B5",
            "energy": -54.44478801,
            "energy_per_atom": -3.402799250625,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -54.44478801,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0001164,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:38.710000Z",
            "spacegroup": 140
        },
        {
            "id": "mp-1080463",
            "created_at": "2022-09-04T14:39:35.780761Z",
            "structure_string": "Hf3 P3 Os3\n1.0\n3.213245 -5.565504 0.000000\n3.213245 5.565504 0.000000\n0.000000 0.000000 3.845747\nHf P Os\n3 3 3\ndirect\n0.416049 0.416049 0.500000 Hf\n0.583951 0.000000 0.500000 Hf\n0.000000 0.583951 0.500000 Hf\n0.666667 0.333333 0.000000 P\n0.333333 0.666667 0.000000 P\n0.000000 0.000000 0.500000 P\n0.751882 0.751882 0.000000 Os\n0.248118 0.000000 0.000000 Os\n0.000000 0.248118 0.000000 Os\n",
            "nsites": 9,
            "nelements": 3,
            "elements": [
                "Hf",
                "P",
                "Os"
            ],
            "chemical_system": "Hf-Os-P",
            "density": 14.475670108445362,
            "density_atomic": 0.06543098589953081,
            "volume": 137.54950924657453,
            "volume_molar": 9.203805623908815,
            "formula_full": "Hf3 P3 Os3",
            "formula_reduced": "HfPOs",
            "formula_anonymous": "ABC",
            "energy": -87.73875262,
            "energy_per_atom": -9.748750291111111,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -87.73875262,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0204601,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:36.473000Z",
            "spacegroup": 189
        },
        {
            "id": "mp-1105388",
            "created_at": "2022-09-04T14:39:47.265428Z",
            "structure_string": "Mn2 Fe8 B4 P2\n1.0\n5.499138 0.000000 0.000000\n0.000000 5.499138 0.000000\n-2.749569 -2.749569 5.107251\nMn Fe B P\n2 8 4 2\ndirect\n0.500000 0.500000 0.000000 Mn\n0.000000 0.000000 0.000000 Mn\n0.030173 0.530173 0.721681 Fe\n0.691507 0.191507 0.721681 Fe\n0.191507 0.030173 0.721681 Fe\n0.530173 0.691507 0.721681 Fe\n0.969827 0.469827 0.278319 Fe\n0.308493 0.808493 0.278319 Fe\n0.808493 0.969827 0.278319 Fe\n0.469827 0.308493 0.278319 Fe\n0.381564 0.881564 0.000000 B\n0.618436 0.118436 0.000000 B\n0.118436 0.381564 0.000000 B\n0.881564 0.618436 0.000000 B\n0.250000 0.250000 0.500000 P\n0.750000 0.750000 0.500000 P\n",
            "nsites": 16,
            "nelements": 4,
            "elements": [
                "Mn",
                "Fe",
                "B",
                "P"
            ],
            "chemical_system": "B-Fe-Mn-P",
            "density": 7.1156985649894935,
            "density_atomic": 0.10359613282356728,
            "volume": 154.44591959093023,
            "volume_molar": 5.813094172401397,
            "formula_full": "Mn2 Fe8 B4 P2",
            "formula_reduced": "MnFe4B2P",
            "formula_anonymous": "ABC2D4",
            "energy": -130.10052762,
            "energy_per_atom": -8.13128297625,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -130.10052762,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 16.8820221,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:27.825000Z",
            "spacegroup": 140
        }
    ]
}