GET /third-parties/MatprojStructure/?format=api&ordering=total_magnetization&page=70
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=total_magnetization&page=71",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=total_magnetization&page=69",
    "results": [
        {
            "id": "mp-1516557",
            "created_at": "2022-09-04T14:40:21.764619Z",
            "structure_string": "Sr8 Tb4 Nb4 O24\n1.0\n8.389770 0.000000 0.000000\n0.000000 8.389770 0.000000\n-0.000000 0.000000 8.389770\nSr Tb Nb O\n8 4 4 24\ndirect\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Sr\n0.000000 0.000000 0.500000 Sr\n0.000000 0.500000 0.000000 Sr\n0.500000 0.000000 0.000000 Sr\n0.500000 0.500000 0.000000 Sr\n0.500000 0.000000 0.500000 Sr\n0.000000 0.500000 0.500000 Sr\n0.250000 0.250000 0.250000 Tb\n0.250000 0.750000 0.750000 Tb\n0.750000 0.250000 0.750000 Tb\n0.750000 0.750000 0.250000 Tb\n0.750000 0.750000 0.750000 Nb\n0.750000 0.250000 0.250000 Nb\n0.250000 0.750000 0.250000 Nb\n0.250000 0.250000 0.750000 Nb\n0.217426 0.289722 0.514300 O\n0.217426 0.710278 0.485700 O\n0.782574 0.289722 0.485700 O\n0.782574 0.710278 0.514300 O\n0.289722 0.514300 0.217426 O\n0.710278 0.485700 0.217426 O\n0.289722 0.485700 0.782574 O\n0.710278 0.514300 0.782574 O\n0.514300 0.217426 0.289722 O\n0.485700 0.217426 0.710278 O\n0.485700 0.782574 0.289722 O\n0.514300 0.782574 0.710278 O\n0.282574 0.210278 0.985700 O\n0.282574 0.789722 0.014300 O\n0.717426 0.210278 0.014300 O\n0.717426 0.789722 0.985700 O\n0.210278 0.985700 0.282574 O\n0.789722 0.014300 0.282574 O\n0.210278 0.014300 0.717426 O\n0.789722 0.985700 0.717426 O\n0.985700 0.282574 0.210278 O\n0.014300 0.282574 0.789722 O\n0.014300 0.717426 0.210278 O\n0.985700 0.717426 0.789722 O\n",
            "nsites": 40,
            "nelements": 4,
            "elements": [
                "Sr",
                "Tb",
                "Nb",
                "O"
            ],
            "chemical_system": "Nb-O-Sr-Tb",
            "density": 5.883248370944766,
            "density_atomic": 0.06773448389622559,
            "volume": 590.5411497824809,
            "volume_molar": 8.890804821405858,
            "formula_full": "Sr8 Tb4 Nb4 O24",
            "formula_reduced": "Sr2TbNbO6",
            "formula_anonymous": "ABC2D6",
            "energy": -328.94383355,
            "energy_per_atom": -8.22359583875,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -312.45583355,
            "band_gap": 3.1053999999999995,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:48.859000Z",
            "spacegroup": 201
        },
        {
            "id": "mp-1111782",
            "created_at": "2022-09-04T14:41:09.733146Z",
            "structure_string": "Cs1 Rb2 Er1 Cl6\n1.0\n0.000000 5.879059 5.879059\n5.879059 0.000000 5.879059\n5.879059 5.879059 0.000000\nCs Rb Er Cl\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 Cs\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Er\n0.777670 0.222330 0.222330 Cl\n0.222330 0.222330 0.777670 Cl\n0.222330 0.777670 0.777670 Cl\n0.222330 0.777670 0.222330 Cl\n0.777670 0.222330 0.777670 Cl\n0.777670 0.777670 0.222330 Cl\n",
            "nsites": 10,
            "nelements": 4,
            "elements": [
                "Cs",
                "Rb",
                "Er",
                "Cl"
            ],
            "chemical_system": "Cl-Cs-Er-Rb",
            "density": 2.794063084050113,
            "density_atomic": 0.024606313248871227,
            "volume": 406.3997681757032,
            "volume_molar": 24.473966087854528,
            "formula_full": "Cs1 Rb2 Er1 Cl6",
            "formula_reduced": "CsRb2ErCl6",
            "formula_anonymous": "ABC2D6",
            "energy": -42.80664892,
            "energy_per_atom": -4.280664892,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -39.12264892,
            "band_gap": 4.448,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:10.274000Z",
            "spacegroup": 225
        },
        {
            "id": "mp-1245342",
            "created_at": "2022-09-04T14:41:10.978350Z",
            "structure_string": "Li2 Lu2 S4 O16\n1.0\n7.414758 0.000000 0.000000\n0.000000 7.410818 0.000000\n0.000000 0.000000 5.905944\nLi Lu S O\n2 2 4 16\ndirect\n0.500000 0.500000 0.008792 Li\n0.000000 0.000000 0.508792 Li\n0.500000 0.500000 0.508919 Lu\n0.000000 0.000000 0.008919 Lu\n0.774495 0.225354 0.508763 S\n0.225505 0.774646 0.508763 S\n0.725505 0.725354 0.008763 S\n0.274495 0.274646 0.008763 S\n0.791620 0.412533 0.592933 O\n0.208380 0.587467 0.592933 O\n0.708380 0.912533 0.092933 O\n0.291620 0.087467 0.092933 O\n0.818396 0.092228 0.694642 O\n0.181604 0.907772 0.694642 O\n0.681604 0.592228 0.194642 O\n0.318397 0.407772 0.194642 O\n0.587287 0.208321 0.424586 O\n0.412713 0.791679 0.424586 O\n0.912713 0.708321 0.924586 O\n0.087287 0.291679 0.924586 O\n0.907462 0.181431 0.322720 O\n0.092538 0.818569 0.322720 O\n0.592538 0.681431 0.822720 O\n0.407462 0.318569 0.822720 O\n",
            "nsites": 24,
            "nelements": 4,
            "elements": [
                "Li",
                "Lu",
                "S",
                "O"
            ],
            "chemical_system": "Li-Lu-O-S",
            "density": 3.8276903065926056,
            "density_atomic": 0.07395350943163587,
            "volume": 324.52820947173694,
            "volume_molar": 8.143143991789854,
            "formula_full": "Li2 Lu2 S4 O16",
            "formula_reduced": "LiLu(SO4)2",
            "formula_anonymous": "ABC2D8",
            "energy": -165.94498647999998,
            "energy_per_atom": -6.914374436666666,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -154.95298648,
            "band_gap": 5.7573,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:15.240000Z",
            "spacegroup": 118
        },
        {
            "id": "mp-1213695",
            "created_at": "2022-09-04T14:40:11.884460Z",
            "structure_string": "Cs8 Rb4 Fe4 O10\n1.0\n-0.052481 -0.000055 -7.313574\n-7.361082 -0.000042 0.491787\n0.000076 12.382991 0.000093\nCs Rb Fe O\n8 4 4 10\ndirect\n0.686302 0.342373 0.999999 Cs\n0.686322 0.842400 0.499999 Cs\n0.313681 0.657604 0.000000 Cs\n0.313699 0.157629 0.499999 Cs\n0.000011 0.499991 0.743570 Cs\n0.999988 0.000012 0.243571 Cs\n0.000012 0.499991 0.256428 Cs\n0.999988 0.000011 0.756428 Cs\n0.499981 0.499967 0.719697 Rb\n0.500018 0.000034 0.219699 Rb\n0.499980 0.499968 0.280299 Rb\n0.500020 0.000037 0.780302 Rb\n0.807899 0.306793 0.500000 Fe\n0.192102 0.193197 0.999999 Fe\n0.807852 0.806795 0.000006 Fe\n0.192149 0.693188 0.499996 Fe\n0.999986 0.000008 0.000000 O\n0.000014 0.499988 0.500000 O\n0.716025 0.709062 0.133139 O\n0.716025 0.209056 0.633145 O\n0.283968 0.290951 0.866856 O\n0.283976 0.790935 0.366863 O\n0.283983 0.290935 0.133144 O\n0.283979 0.790942 0.633142 O\n0.716035 0.709056 0.866862 O\n0.716005 0.209077 0.366855 O\n",
            "nsites": 26,
            "nelements": 4,
            "elements": [
                "Cs",
                "Rb",
                "Fe",
                "O"
            ],
            "chemical_system": "Cs-Fe-O-Rb",
            "density": 4.45277035370591,
            "density_atomic": 0.03898237720062244,
            "volume": 666.9680472843214,
            "volume_molar": 15.448367166032767,
            "formula_full": "Cs8 Rb4 Fe4 O10",
            "formula_reduced": "Cs4Rb2Fe2O5",
            "formula_anonymous": "A2B2C4D5",
            "energy": -131.40571667,
            "energy_per_atom": -5.054066025769231,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -115.51171667,
            "band_gap": 1.4865000000000002,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 0.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:46.923000Z",
            "spacegroup": 12
        },
        {
            "id": "mp-1522333",
            "created_at": "2022-09-04T14:41:05.477740Z",
            "structure_string": "Na4 Sr4 Pr4 W4 O24\n1.0\n8.444918 0.000000 0.000000\n0.000000 8.454052 0.000000\n0.000000 0.000000 8.466747\nNa Sr Pr W O\n4 4 4 4 24\ndirect\n0.000000 0.000000 -0.000000 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.500000 0.500000 Na\n0.500000 0.000000 -0.000000 Na\n0.500000 0.000000 0.500000 Sr\n0.500000 0.500000 -0.000000 Sr\n0.000000 0.500000 -0.000000 Sr\n0.000000 0.000000 0.500000 Sr\n0.750000 0.750000 0.750000 Pr\n0.250000 0.250000 0.750000 Pr\n0.250000 0.750000 0.250000 Pr\n0.750000 0.250000 0.250000 Pr\n0.250000 0.250000 0.250000 W\n0.750000 0.750000 0.250000 W\n0.750000 0.250000 0.750000 W\n0.250000 0.750000 0.750000 W\n0.024581 0.202339 0.279209 O\n0.975419 0.797661 0.279209 O\n0.975419 0.202339 0.720791 O\n0.024581 0.797661 0.720791 O\n0.293499 0.025569 0.213346 O\n0.293499 0.974431 0.786654 O\n0.706501 0.974431 0.213346 O\n0.706501 0.025569 0.786654 O\n0.215044 0.291398 0.023359 O\n0.784956 0.291398 0.976641 O\n0.215044 0.708602 0.976641 O\n0.784956 0.708602 0.023359 O\n0.475419 0.297661 0.220791 O\n0.524581 0.702339 0.220791 O\n0.524581 0.297661 0.779209 O\n0.475419 0.702339 0.779209 O\n0.206501 0.474431 0.286654 O\n0.206501 0.525569 0.713346 O\n0.793499 0.525569 0.286654 O\n0.793499 0.474431 0.713346 O\n0.284956 0.208602 0.476641 O\n0.715044 0.208602 0.523359 O\n0.284956 0.791398 0.523359 O\n0.715044 0.791398 0.476641 O\n",
            "nsites": 40,
            "nelements": 5,
            "elements": [
                "Na",
                "Sr",
                "Pr",
                "W",
                "O"
            ],
            "chemical_system": "Na-O-Pr-Sr-W",
            "density": 5.838697309260152,
            "density_atomic": 0.06617334022590396,
            "volume": 604.473037985496,
            "volume_molar": 9.10055430093371,
            "formula_full": "Na4 Sr4 Pr4 W4 O24",
            "formula_reduced": "NaSrPrWO6",
            "formula_anonymous": "ABCDE6",
            "energy": -315.33669973,
            "energy_per_atom": -7.8834174932500005,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -281.09669973,
            "band_gap": 3.0064,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:13.598000Z",
            "spacegroup": 48
        },
        {
            "id": "mp-758115",
            "created_at": "2022-09-04T14:39:26.513663Z",
            "structure_string": "Li8 Sn4 P8 O28\n1.0\n5.094381 0.000000 0.000000\n0.000000 8.694173 0.000000\n0.000000 5.495560 14.051016\nLi Sn P O\n8 4 8 28\ndirect\n0.250748 0.995225 0.678833 Li\n0.249252 0.995225 0.178833 Li\n0.732172 0.412443 0.825436 Li\n0.232172 0.587557 0.674564 Li\n0.767828 0.412443 0.325436 Li\n0.267828 0.587557 0.174564 Li\n0.750748 0.004775 0.821167 Li\n0.749252 0.004775 0.321167 Li\n0.275433 0.714724 0.884893 Sn\n0.224567 0.714724 0.384893 Sn\n0.775433 0.285276 0.615107 Sn\n0.724567 0.285276 0.115107 Sn\n0.758609 0.787266 0.701663 P\n0.721767 0.700660 0.534491 P\n0.741391 0.787266 0.201663 P\n0.221767 0.299340 0.965509 P\n0.778233 0.700660 0.034491 P\n0.258609 0.212734 0.798337 P\n0.278233 0.299340 0.465509 P\n0.241391 0.212734 0.298337 P\n0.382251 0.063337 0.783924 O\n0.117749 0.063337 0.283924 O\n0.695270 0.790063 0.929683 O\n0.795781 0.828897 0.586690 O\n0.458795 0.776364 0.719540 O\n0.904386 0.625949 0.753903 O\n0.427820 0.664980 0.546278 O\n0.804730 0.790063 0.429683 O\n0.704219 0.828897 0.086690 O\n0.395105 0.453316 0.917573 O\n0.041205 0.776364 0.219540 O\n0.595614 0.625949 0.253903 O\n0.895105 0.546684 0.582427 O\n0.072180 0.664980 0.046278 O\n0.927820 0.335020 0.953722 O\n0.104895 0.453316 0.417573 O\n0.404386 0.374051 0.746097 O\n0.958795 0.223636 0.780460 O\n0.604895 0.546684 0.082427 O\n0.295781 0.171103 0.913310 O\n0.195270 0.209937 0.570317 O\n0.572180 0.335020 0.453722 O\n0.095614 0.374051 0.246097 O\n0.541205 0.223636 0.280460 O\n0.204219 0.171103 0.413310 O\n0.304730 0.209937 0.070317 O\n0.882251 0.936663 0.716076 O\n0.617749 0.936663 0.216076 O\n",
            "nsites": 48,
            "nelements": 4,
            "elements": [
                "Li",
                "Sn",
                "P",
                "O"
            ],
            "chemical_system": "Li-O-P-Sn",
            "density": 3.2716149872972053,
            "density_atomic": 0.07712830892992163,
            "volume": 622.3395879664954,
            "volume_molar": 7.807951248447162,
            "formula_full": "Li8 Sn4 P8 O28",
            "formula_reduced": "Li2SnP2O7",
            "formula_anonymous": "AB2C2D7",
            "energy": -335.91262915,
            "energy_per_atom": -6.998179773958333,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -316.67662915,
            "band_gap": 3.7994,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:37.239000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-29149",
            "created_at": "2022-09-04T14:39:32.001039Z",
            "structure_string": "Li4 N1 Cl1\n1.0\n6.726816 -1.829697 0.000000\n6.726816 1.829697 0.000000\n6.229138 0.000000 3.129806\nLi N Cl\n4 1 1\ndirect\n0.902827 0.902827 0.902827 Li\n0.097173 0.097173 0.097173 Li\n0.654904 0.654904 0.654904 Li\n0.345096 0.345096 0.345096 Li\n0.000000 0.000000 0.000000 N\n0.500000 0.500000 0.500000 Cl\n",
            "nsites": 6,
            "nelements": 3,
            "elements": [
                "Li",
                "N",
                "Cl"
            ],
            "chemical_system": "Cl-Li-N",
            "density": 1.6644224483032037,
            "density_atomic": 0.07787805767853327,
            "volume": 77.04352392514627,
            "volume_molar": 7.732782428727642,
            "formula_full": "Li4 N1 Cl1",
            "formula_reduced": "Li4NCl",
            "formula_anonymous": "ABC4",
            "energy": -23.96551331,
            "energy_per_atom": -3.994252218333333,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -22.99051331,
            "band_gap": 1.7617,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:36.031000Z",
            "spacegroup": 166
        },
        {
            "id": "mp-22516",
            "created_at": "2022-09-04T14:41:03.645526Z",
            "structure_string": "Na3 Co1 N6 O12\n1.0\n6.442917 -0.012557 2.171330\n1.555666 6.252299 2.171330\n-0.016097 -0.012557 6.798941\nN O Na Co\n6 12 3 1\ndirect\n0.806070 0.171548 0.806069 N\n0.806070 0.806069 0.171548 N\n0.171548 0.806069 0.806069 N\n0.828452 0.193930 0.193931 N\n0.193930 0.828452 0.193931 N\n0.193930 0.193930 0.828451 N\n0.724104 0.724103 0.087998 O\n0.087997 0.724103 0.724104 O\n0.912003 0.275897 0.275896 O\n0.724103 0.087997 0.724103 O\n0.234558 0.628723 0.234558 O\n0.275896 0.275897 0.912003 O\n0.628723 0.234559 0.234558 O\n0.371278 0.765442 0.765441 O\n0.765442 0.371277 0.765442 O\n0.765442 0.765442 0.371277 O\n0.275897 0.912002 0.275896 O\n0.234558 0.234559 0.628723 O\n0.735880 0.735880 0.735880 Na\n0.264120 0.264120 0.264121 Na\n0.500001 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Co\n",
            "nsites": 22,
            "nelements": 4,
            "elements": [
                "N",
                "O",
                "Na",
                "Co"
            ],
            "chemical_system": "Co-N-Na-O",
            "density": 2.4447200577418013,
            "density_atomic": 0.08018454940901495,
            "volume": 274.36707148879475,
            "volume_molar": 7.5103505655204765,
            "formula_full": "Na3 Co1 N6 O12",
            "formula_reduced": "Na3Co(NO2)6",
            "formula_anonymous": "AB3C6D12",
            "energy": -143.41734837,
            "energy_per_atom": -6.5189703804545465,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -133.53534837,
            "band_gap": 2.5324,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:21.098000Z",
            "spacegroup": 166
        },
        {
            "id": "mp-10616",
            "created_at": "2022-09-04T14:41:28.369805Z",
            "structure_string": "Ba1 Li1 As1\n1.0\n2.277582 -3.944888 0.000000\n2.277582 3.944888 0.000000\n0.000000 0.000000 4.620388\nBa Li As\n1 1 1\ndirect\n0.666667 0.333333 0.000000 Ba\n0.000000 0.000000 0.500000 Li\n0.333333 0.666667 0.500000 As\n",
            "nsites": 3,
            "nelements": 3,
            "elements": [
                "Ba",
                "Li",
                "As"
            ],
            "chemical_system": "As-Ba-Li",
            "density": 4.383811778674641,
            "density_atomic": 0.03613300759568142,
            "volume": 83.02657873291889,
            "volume_molar": 16.666591465028667,
            "formula_full": "Ba1 Li1 As1",
            "formula_reduced": "BaLiAs",
            "formula_anonymous": "ABC",
            "energy": -11.3271629,
            "energy_per_atom": -3.7757209666666665,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -11.3271629,
            "band_gap": 0.5928,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:27.571000Z",
            "spacegroup": 187
        },
        {
            "id": "mp-1097501",
            "created_at": "2022-09-04T14:39:13.697313Z",
            "structure_string": "Na1 Cd2 Ag1\n1.0\n-5.851366 6.356006 8.977754\n5.851366 -6.356006 8.977754\n5.851366 6.356006 -8.977754\nNa Cd Ag\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.261983 0.261983 Cd\n0.000000 0.738017 0.738017 Cd\n0.000000 0.500000 0.500000 Ag\n",
            "nsites": 4,
            "nelements": 3,
            "elements": [
                "Na",
                "Cd",
                "Ag"
            ],
            "chemical_system": "Ag-Cd-Na",
            "density": 0.4422208861550998,
            "density_atomic": 0.0029949580008671126,
            "volume": 1335.5779943631608,
            "volume_molar": 201.07596695033604,
            "formula_full": "Na1 Cd2 Ag1",
            "formula_reduced": "NaCd2Ag",
            "formula_anonymous": "ABC2",
            "energy": -3.3574504,
            "energy_per_atom": -0.8393626,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -3.3574504,
            "band_gap": 0.6533000000000002,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:31.156000Z",
            "spacegroup": 71
        },
        {
            "id": "mp-1033978",
            "created_at": "2022-09-04T14:40:17.333031Z",
            "structure_string": "K1 Rb1 Mg14 O15\n1.0\n8.602220 0.000000 0.000000\n0.000000 8.941342 0.000000\n0.000000 0.000000 4.483661\nK Rb Mg O\n1 1 14 15\ndirect\n0.982403 0.000000 0.000000 K\n0.110464 0.500000 0.000000 Rb\n0.496056 0.000000 0.000000 Mg\n0.518809 0.500000 0.000000 Mg\n0.995843 0.249075 0.500000 Mg\n0.995843 0.750925 0.500000 Mg\n0.495903 0.254589 0.500000 Mg\n0.495903 0.745411 0.500000 Mg\n0.246666 0.000000 0.500000 Mg\n0.253416 0.500000 0.500000 Mg\n0.740189 0.000000 0.500000 Mg\n0.769213 0.500000 0.500000 Mg\n0.240658 0.215922 -0.000000 Mg\n0.240658 0.784078 0.000000 Mg\n0.758529 0.261376 0.000000 Mg\n0.758529 0.738624 0.000000 Mg\n0.271166 0.000000 0.000000 O\n0.714438 0.000000 0.000000 O\n0.741747 0.500000 0.000000 O\n0.246383 0.260400 0.500000 O\n0.246383 0.739600 0.500000 O\n0.744032 0.252527 0.500000 O\n0.744032 0.747473 0.500000 O\n0.011364 0.000000 0.500000 O\n0.004437 0.500000 0.500000 O\n0.490024 0.000000 0.500000 O\n0.484182 0.500000 0.500000 O\n0.999216 0.258997 0.000000 O\n0.999216 0.741003 -0.000000 O\n0.477149 0.270251 0.000000 O\n0.477149 0.729749 0.000000 O\n",
            "nsites": 31,
            "nelements": 4,
            "elements": [
                "K",
                "Rb",
                "Mg",
                "O"
            ],
            "chemical_system": "K-Mg-O-Rb",
            "density": 3.393795506776954,
            "density_atomic": 0.08989088842432519,
            "volume": 344.86253883337025,
            "volume_molar": 6.699389521630716,
            "formula_full": "K1 Rb1 Mg14 O15",
            "formula_reduced": "KRbMg14O15",
            "formula_anonymous": "ABC14D15",
            "energy": -177.58984015,
            "energy_per_atom": -5.728704520967741,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -167.28484015,
            "band_gap": 3.2808,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:59.060000Z",
            "spacegroup": 25
        },
        {
            "id": "mp-1208677",
            "created_at": "2022-09-04T14:42:42.286714Z",
            "structure_string": "Zn8 H64 C16 N72 O28\n1.0\n0.000000 0.000000 7.575433\n10.162702 0.000000 0.000000\n0.000000 23.756689 0.000000\nZn H C N O\n8 64 16 72 28\ndirect\n0.016801 0.635820 0.063672 Zn\n0.016801 0.364180 0.936328 Zn\n0.983199 0.864180 0.563672 Zn\n0.983199 0.135820 0.436328 Zn\n0.524528 0.004013 0.164436 Zn\n0.524528 0.995987 0.835564 Zn\n0.475472 0.495987 0.664436 Zn\n0.475472 0.504013 0.335564 Zn\n0.330452 0.069291 0.427040 H\n0.330452 0.930709 0.572960 H\n0.669548 0.430709 0.927040 H\n0.669548 0.569291 0.072960 H\n0.354495 0.675734 0.108939 H\n0.354495 0.324266 0.891061 H\n0.645505 0.824266 0.608939 H\n0.645505 0.175734 0.391061 H\n0.328149 0.151944 0.484133 H\n0.328149 0.848056 0.515867 H\n0.671851 0.348056 0.984133 H\n0.671851 0.651944 0.015867 H\n0.041295 0.405388 0.451035 H\n0.041295 0.594612 0.548965 H\n0.958705 0.094612 0.951035 H\n0.958705 0.905388 0.048965 H\n0.132126 0.509873 0.296343 H\n0.132126 0.490127 0.703657 H\n0.867874 0.990127 0.796343 H\n0.867874 0.009873 0.203657 H\n0.098811 0.890650 0.100149 H\n0.098811 0.109350 0.899851 H\n0.901189 0.609350 0.600149 H\n0.901189 0.390650 0.399851 H\n0.405070 0.319137 0.420910 H\n0.405070 0.680863 0.579090 H\n0.594930 0.180863 0.920910 H\n0.594930 0.819137 0.079090 H\n0.032269 0.316839 0.200311 H\n0.032269 0.683161 0.799689 H\n0.967731 0.183161 0.700311 H\n0.967731 0.816839 0.299689 H\n0.168507 0.002629 0.809113 H\n0.168507 0.997371 0.190887 H\n0.831493 0.497371 0.309113 H\n0.831493 0.502629 0.690887 H\n0.536976 0.431211 0.445388 H\n0.536976 0.568789 0.554612 H\n0.463024 0.068789 0.945388 H\n0.463024 0.931211 0.054612 H\n0.454467 0.447007 0.193645 H\n0.454467 0.552993 0.806355 H\n0.545533 0.052993 0.693645 H\n0.545533 0.947007 0.306355 H\n0.246679 0.073327 0.011274 H\n0.246679 0.926673 0.988726 H\n0.753321 0.426673 0.511274 H\n0.753321 0.573327 0.488726 H\n0.150151 0.380460 0.330827 H\n0.150151 0.619540 0.669173 H\n0.849849 0.119540 0.830827 H\n0.849849 0.880460 0.169173 H\n0.367808 0.544201 0.074923 H\n0.367808 0.455799 0.925077 H\n0.632192 0.955799 0.574923 H\n0.632192 0.044201 0.425077 H\n0.180916 0.090002 0.137653 H\n0.180916 0.909998 0.862347 H\n0.819084 0.409998 0.637653 H\n0.819084 0.590002 0.362347 H\n0.248189 0.442354 0.522308 H\n0.248189 0.557646 0.477691 H\n0.751811 0.057646 0.022308 H\n0.751811 0.942354 0.977692 H\n0.520698 0.306406 0.133373 C\n0.520698 0.693594 0.866627 C\n0.479302 0.193594 0.633373 C\n0.479302 0.806406 0.366627 C\n0.016020 0.013987 0.313907 C\n0.016020 0.986013 0.686093 C\n0.983980 0.486013 0.813907 C\n0.983980 0.513987 0.186093 C\n0.041555 0.349306 0.114641 C\n0.041555 0.650694 0.885359 C\n0.958445 0.150694 0.614641 C\n0.958445 0.849306 0.385359 C\n0.506977 0.270788 0.233450 C\n0.506977 0.729212 0.766550 C\n0.493023 0.229212 0.733450 C\n0.493023 0.770788 0.266550 C\n0.594206 0.312459 0.046985 N\n0.594206 0.687541 0.953015 N\n0.405794 0.187541 0.546985 N\n0.405794 0.812459 0.453015 N\n0.523859 0.319311 0.286388 N\n0.523859 0.680689 0.713612 N\n0.476141 0.180689 0.786388 N\n0.476141 0.819311 0.213612 N\n0.557887 0.182172 0.117743 N\n0.557887 0.817828 0.882257 N\n0.442113 0.317828 0.617743 N\n0.442113 0.682172 0.382257 N\n0.060081 0.338902 0.025071 N\n0.060081 0.661098 0.974929 N\n0.939919 0.161098 0.525071 N\n0.939919 0.838902 0.474929 N\n0.606827 0.190257 0.063157 N\n0.606827 0.809743 0.936843 N\n0.393173 0.309743 0.563157 N\n0.393173 0.690257 0.436843 N\n0.539535 0.390600 0.089661 N\n0.539535 0.609400 0.910339 N\n0.460465 0.109400 0.589661 N\n0.460465 0.890600 0.410339 N\n0.032385 0.049778 0.259396 N\n0.032385 0.950222 0.740604 N\n0.967615 0.450222 0.759396 N\n0.967615 0.549778 0.240604 N\n0.013749 0.387261 0.169271 N\n0.013749 0.612739 0.830729 N\n0.986251 0.112739 0.669271 N\n0.986251 0.887261 0.330729 N\n0.528391 0.139421 0.233504 N\n0.528391 0.860579 0.766496 N\n0.471609 0.360579 0.733504 N\n0.471609 0.639421 0.266496 N\n0.558069 0.213080 0.318727 N\n0.558069 0.786920 0.681273 N\n0.441931 0.286920 0.818727 N\n0.441931 0.713080 0.181273 N\n0.561794 0.107878 0.287544 N\n0.561794 0.892122 0.712456 N\n0.438206 0.392122 0.787544 N\n0.438206 0.607878 0.212456 N\n0.476031 0.345986 0.186732 N\n0.476031 0.654014 0.813268 N\n0.523969 0.154014 0.686732 N\n0.523969 0.845986 0.313268 N\n0.058715 0.221943 0.313355 N\n0.058715 0.778057 0.686645 N\n0.941285 0.278057 0.813355 N\n0.941285 0.721943 0.186645 N\n0.031858 0.118585 0.348120 N\n0.031858 0.881415 0.651880 N\n0.968142 0.381415 0.848120 N\n0.968142 0.618585 0.151880 N\n0.058707 0.181720 0.261242 N\n0.058707 0.818280 0.738758 N\n0.941293 0.318280 0.761242 N\n0.941293 0.681720 0.238758 N\n0.017335 0.421903 0.067717 N\n0.017335 0.578097 0.932283 N\n0.982665 0.078097 0.567717 N\n0.982665 0.921903 0.432283 N\n0.097982 0.227206 0.101630 N\n0.097982 0.772794 0.898370 N\n0.902018 0.272794 0.601630 N\n0.902018 0.727206 0.398370 N\n0.107958 0.224393 0.045389 N\n0.107958 0.775607 0.954611 N\n0.892042 0.275607 0.545389 N\n0.892042 0.724393 0.454611 N\n0.831088 -0.000000 -0.000000 O\n0.168912 0.500000 0.500000 O\n0.275178 0.146569 0.444675 O\n0.275178 0.853431 0.555325 O\n0.724822 0.353431 0.944675 O\n0.724822 0.646569 0.055325 O\n0.229536 0.006087 0.154299 O\n0.229536 0.993913 0.845701 O\n0.770464 0.493913 0.654299 O\n0.770464 0.506087 0.345701 O\n0.305077 0.628984 0.075659 O\n0.305077 0.371016 0.924341 O\n0.694923 0.871016 0.575659 O\n0.694923 0.128984 0.424341 O\n0.468558 0.400563 0.412181 O\n0.468558 0.599437 0.587819 O\n0.531442 0.099437 0.912181 O\n0.531442 0.900563 0.087819 O\n0.200741 0.470811 0.327530 O\n0.200741 0.529189 0.672470 O\n0.799259 0.029189 0.827530 O\n0.799259 0.970811 0.172470 O\n0.025547 0.842396 0.073037 O\n0.025547 0.157604 0.926963 O\n0.974453 0.657604 0.573037 O\n0.974453 0.342396 0.426963 O\n0.325174 -0.000000 0.000000 O\n0.674826 0.500000 0.500000 O\n",
            "nsites": 188,
            "nelements": 5,
            "elements": [
                "Zn",
                "H",
                "C",
                "N",
                "O"
            ],
            "chemical_system": "C-H-N-O-Zn",
            "density": 2.030482775501114,
            "density_atomic": 0.10279104576014252,
            "volume": 1828.9530825349134,
            "volume_molar": 5.858623886415503,
            "formula_full": "Zn8 H64 C16 N72 O28",
            "formula_reduced": "Zn2H16C4N18O7",
            "formula_anonymous": "A2B4C7D16E18",
            "energy": -1227.09986008,
            "energy_per_atom": -6.527126915319149,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -1181.87186008,
            "band_gap": 3.7746,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:50.363000Z",
            "spacegroup": 18
        }
    ]
}