GET /third-parties/MatprojStructure/?format=api&ordering=elements&page=12103
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=elements&page=12104",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=elements&page=12102",
    "results": [
        {
            "id": "mp-1210323",
            "created_at": "2022-09-04T14:39:15.274427Z",
            "structure_string": "Na2 Al10 Fe2 P8 H20 O48\n1.0\n0.000000 -5.098526 0.000000\n-11.814994 2.549264 4.540256\n-0.003902 0.000000 -13.650708\nNa Al Fe P H O\n2 10 2 8 20 48\ndirect\n0.853562 0.000000 0.750000 Na\n0.146438 0.000000 0.250000 Na\n0.635614 0.718293 0.650080 Al\n0.364386 0.281707 0.349920 Al\n0.917320 0.281707 0.849920 Al\n0.082680 0.718293 0.150080 Al\n0.828862 0.696463 0.891528 Al\n0.171138 0.303537 0.108472 Al\n0.132399 0.303537 0.608472 Al\n0.867601 0.696463 0.391528 Al\n0.000000 0.000000 0.000000 Al\n0.000000 0.000000 0.500000 Al\n0.500000 0.500000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n0.356740 0.161767 0.894612 P\n0.643260 0.838233 0.105388 P\n0.194973 0.838233 0.605388 P\n0.805027 0.161767 0.394612 P\n0.482724 0.430944 0.826546 P\n0.517276 0.569056 0.173454 P\n0.051780 0.569056 0.673454 P\n0.948220 0.430944 0.326546 P\n0.429681 0.708002 0.803740 H\n0.570319 0.291998 0.196260 H\n0.721679 0.291998 0.696260 H\n0.278321 0.708002 0.303740 H\n0.548419 0.309384 0.522286 H\n0.451581 0.690616 0.477714 H\n0.239035 0.690616 0.977714 H\n0.760965 0.309384 0.022286 H\n0.304524 0.153032 0.627823 H\n0.695476 0.846968 0.372177 H\n0.151493 0.846968 0.872177 H\n0.848507 0.153032 0.127823 H\n0.534794 0.991943 0.905102 H\n0.465206 0.008057 0.094898 H\n0.542850 0.008057 0.594898 H\n0.457150 0.991943 0.405102 H\n0.646809 0.871151 0.860215 H\n0.353191 0.128849 0.139785 H\n0.775658 0.128849 0.639785 H\n0.224342 0.871151 0.360215 H\n0.212041 0.415945 0.878160 O\n0.787959 0.584055 0.121840 O\n0.796096 0.584055 0.621840 O\n0.203904 0.415945 0.378160 O\n0.590048 0.554806 0.842868 O\n0.409952 0.445194 0.157132 O\n0.035243 0.445194 0.657132 O\n0.964757 0.554806 0.342868 O\n0.463216 0.839885 0.658545 O\n0.536784 0.160115 0.341455 O\n0.623331 0.160115 0.841455 O\n0.376669 0.839885 0.158545 O\n0.618300 0.741980 0.796413 O\n0.381700 0.258020 0.203587 O\n0.876321 0.258020 0.703587 O\n0.123679 0.741980 0.296413 O\n0.245295 0.042388 0.901751 O\n0.754705 0.957612 0.098249 O\n0.202907 0.957612 0.598249 O\n0.797093 0.042388 0.401751 O\n0.800225 0.850026 0.433244 O\n0.199775 0.149974 0.566756 O\n0.950199 0.149974 0.066756 O\n0.049801 0.850026 0.933244 O\n0.692160 0.390052 0.879559 O\n0.307840 0.609948 0.120441 O\n0.302107 0.609948 0.620441 O\n0.697893 0.390052 0.379559 O\n0.697176 0.957914 0.897832 O\n0.302824 0.042086 0.102168 O\n0.739262 0.042086 0.602168 O\n0.260738 0.957914 0.397832 O\n0.431520 0.351526 0.709791 O\n0.568480 0.648474 0.290209 O\n0.079994 0.648474 0.790209 O\n0.920006 0.351526 0.209791 O\n0.147569 0.183480 0.826030 O\n0.852431 0.816520 0.173970 O\n0.964089 0.816520 0.673970 O\n0.035911 0.183480 0.326030 O\n0.592540 0.748015 0.993953 O\n0.407460 0.251985 0.006047 O\n0.844525 0.251985 0.506047 O\n0.155475 0.748015 0.493953 O\n0.619586 0.669102 0.493521 O\n0.380414 0.330898 0.506479 O\n0.950483 0.330898 0.006479 O\n0.049517 0.669102 0.993521 O\n",
            "nsites": 90,
            "nelements": 6,
            "elements": [
                "Na",
                "Al",
                "Fe",
                "P",
                "H",
                "O"
            ],
            "chemical_system": "Al-Fe-H-Na-O-P",
            "density": 2.9548307859051803,
            "density_atomic": 0.10943632148151422,
            "volume": 822.3960635884736,
            "volume_molar": 5.5028720615552205,
            "formula_full": "Na2 Al10 Fe2 P8 H20 O48",
            "formula_reduced": "NaAl5FeP4(H5O12)2",
            "formula_anonymous": "ABC4D5E10F24",
            "energy": -624.295312,
            "energy_per_atom": -6.936614577777777,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -586.807312,
            "band_gap": 4.577999999999999,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 7.9999938,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:26.780000Z",
            "spacegroup": 15
        },
        {
            "id": "mp-818418",
            "created_at": "2022-09-04T14:48:06.004756Z",
            "structure_string": "Na1 Al6 Fe3 Si6 B3 O31\n1.0\n5.227301 -8.007486 0.000000\n5.227301 8.007486 0.000000\n-7.039036 0.000000 6.472749\nNa Al Fe Si B O\n1 6 3 6 3 31\ndirect\n0.219552 0.219552 0.219552 Na\n0.904864 0.566391 0.348932 Al\n0.348932 0.904864 0.566391 Al\n0.566391 0.348932 0.904864 Al\n0.348932 0.566391 0.904864 Al\n0.904864 0.348932 0.566391 Al\n0.566391 0.904864 0.348932 Al\n0.760235 0.565987 0.565987 Fe\n0.565987 0.760235 0.565987 Fe\n0.565987 0.565987 0.760235 Fe\n0.193291 0.000361 0.809744 Si\n0.809744 0.193291 0.000361 Si\n0.000361 0.809744 0.193291 Si\n0.809744 0.000361 0.193291 Si\n0.193291 0.809744 0.000361 Si\n0.000361 0.193291 0.809744 Si\n0.565379 0.565379 0.231443 B\n0.231443 0.565379 0.565379 B\n0.565379 0.231443 0.565379 B\n0.756130 0.756130 0.756130 O\n0.544288 0.544288 0.359070 O\n0.359070 0.544288 0.544288 O\n0.544288 0.359070 0.544288 O\n0.790569 0.398750 0.398750 O\n0.398750 0.790569 0.398750 O\n0.398750 0.398750 0.790569 O\n0.169787 0.169787 0.889884 O\n0.889884 0.169788 0.169788 O\n0.169787 0.889884 0.169787 O\n0.266760 0.991134 0.991134 O\n0.991134 0.266760 0.991134 O\n0.991134 0.991134 0.266760 O\n0.972679 0.774109 0.588642 O\n0.588642 0.972679 0.774109 O\n0.774109 0.588642 0.972679 O\n0.588642 0.774109 0.972679 O\n0.972679 0.588642 0.774109 O\n0.774109 0.972679 0.588642 O\n0.364091 0.079253 0.791174 O\n0.791174 0.364091 0.079253 O\n0.079253 0.791174 0.364091 O\n0.791174 0.079253 0.364091 O\n0.364091 0.791174 0.079253 O\n0.079253 0.364091 0.791174 O\n0.652734 0.503367 0.171158 O\n0.171158 0.652734 0.503367 O\n0.503367 0.171158 0.652734 O\n0.171158 0.503367 0.652734 O\n0.652734 0.171158 0.503367 O\n0.503367 0.652734 0.171158 O\n",
            "nsites": 50,
            "nelements": 6,
            "elements": [
                "Na",
                "Al",
                "Fe",
                "Si",
                "B",
                "O"
            ],
            "chemical_system": "Al-B-Fe-Na-O-Si",
            "density": 3.2156846082273858,
            "density_atomic": 0.09227361724679331,
            "volume": 541.8666948567858,
            "volume_molar": 6.526395019167063,
            "formula_full": "Na1 Al6 Fe3 Si6 B3 O31",
            "formula_reduced": "NaAl6Fe3Si6B3O31",
            "formula_anonymous": "AB3C3D6E6F31",
            "energy": -402.79850786,
            "energy_per_atom": -8.055970157199999,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -374.73350786,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 14.0234608,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:38:26.916000Z",
            "spacegroup": 160
        },
        {
            "id": "mp-1221240",
            "created_at": "2022-09-04T14:42:28.897683Z",
            "structure_string": "Na8 Al4 Ga2 Si6 Br2 O24\n1.0\n6.405157 6.406110 0.000000\n-6.405157 6.406110 0.000000\n0.000000 0.000353 9.056276\nNa Al Ga Si Br O\n8 4 2 6 2 24\ndirect\n0.685499 0.816217 0.315977 Na\n0.685347 0.183411 0.685020 Na\n0.314928 0.184459 0.315158 Na\n0.314783 0.815265 0.683865 Na\n0.816217 0.685499 0.815977 Na\n0.183411 0.685347 0.185020 Na\n0.184459 0.314928 0.815158 Na\n0.815265 0.314783 0.183865 Na\n0.000389 0.000419 0.250002 Al\n0.499581 0.249178 0.999965 Al\n0.000419 0.000389 0.750002 Al\n0.249178 0.499581 0.499965 Al\n0.750845 0.499686 0.500162 Ga\n0.499686 0.750845 0.000162 Ga\n0.752231 0.002211 0.000266 Si\n0.002211 0.752231 0.500266 Si\n0.497552 0.498080 0.250013 Si\n0.002188 0.247789 0.499722 Si\n0.498080 0.497552 0.750013 Si\n0.247789 0.002188 0.999722 Si\n0.499855 0.000137 0.499981 Br\n0.000137 0.499855 0.999981 Br\n0.656579 0.862208 0.065185 O\n0.943288 0.850048 0.359473 O\n0.638523 0.564383 0.343449 O\n0.650293 0.140113 0.941889 O\n0.943100 0.150040 0.640243 O\n0.637356 0.431381 0.654123 O\n0.349617 0.139831 0.058276 O\n0.061140 0.147679 0.360894 O\n0.360330 0.438497 0.352044 O\n0.343388 0.862374 0.934647 O\n0.060940 0.852394 0.639362 O\n0.359120 0.557337 0.650284 O\n0.862208 0.656579 0.565185 O\n0.850048 0.943288 0.859473 O\n0.564383 0.638523 0.843449 O\n0.140113 0.650293 0.441889 O\n0.150040 0.943100 0.140243 O\n0.431381 0.637356 0.154123 O\n0.139831 0.349617 0.558276 O\n0.147679 0.061140 0.860894 O\n0.438497 0.360330 0.852044 O\n0.862374 0.343388 0.434647 O\n0.852394 0.060940 0.139362 O\n0.557337 0.359120 0.150284 O\n",
            "nsites": 46,
            "nelements": 6,
            "elements": [
                "Na",
                "Al",
                "Ga",
                "Si",
                "Br",
                "O"
            ],
            "chemical_system": "Al-Br-Ga-Na-O-Si",
            "density": 2.5551609036261937,
            "density_atomic": 0.06189477880683696,
            "volume": 743.1967750229489,
            "volume_molar": 9.729642590361415,
            "formula_full": "Na8 Al4 Ga2 Si6 Br2 O24",
            "formula_reduced": "Na4Al2GaSi3BrO12",
            "formula_anonymous": "ABC2D3E4F12",
            "energy": -320.94390343,
            "energy_per_atom": -6.977041378913043,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -303.38790343,
            "band_gap": 4.4147,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 8.2e-05,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:49.733000Z",
            "spacegroup": 9
        },
        {
            "id": "mp-1220864",
            "created_at": "2022-09-04T14:46:36.097718Z",
            "structure_string": "Na8 Al3 Ga3 Si6 Cl2 O24\n1.0\n6.374498 -6.375694 0.000000\n6.374498 6.375694 0.000000\n-0.002392 0.000000 9.015746\nNa Al Ga Si Cl O\n8 3 3 6 2 24\ndirect\n0.324344 0.324344 0.324344 Na\n0.323464 0.676351 0.675128 Na\n0.675128 0.323464 0.676351 Na\n0.676351 0.675128 0.323464 Na\n0.175543 0.824760 0.176661 Na\n0.824760 0.176661 0.175543 Na\n0.823756 0.823756 0.823756 Na\n0.176661 0.175543 0.824760 Na\n0.500465 0.999613 0.750003 Al\n0.999613 0.750003 0.500465 Al\n0.750003 0.500465 0.999613 Al\n0.250004 0.500419 0.999816 Ga\n0.500419 0.999816 0.250004 Ga\n0.999816 0.250004 0.500419 Ga\n0.250019 0.998220 0.502440 Si\n0.998220 0.502440 0.250019 Si\n0.502440 0.250019 0.998220 Si\n0.997582 0.501743 0.750016 Si\n0.501743 0.750016 0.997582 Si\n0.750016 0.997582 0.501743 Si\n0.500104 0.500104 0.500104 Cl\n0.999884 0.999884 0.999884 Cl\n0.345004 0.068540 0.363358 O\n0.068540 0.363358 0.345004 O\n0.363358 0.345004 0.068540 O\n0.353511 0.934611 0.638237 O\n0.061615 0.639115 0.649033 O\n0.364679 0.652443 0.927200 O\n0.649033 0.061615 0.639115 O\n0.927200 0.364679 0.652443 O\n0.638237 0.353511 0.934611 O\n0.652443 0.927200 0.364679 O\n0.934611 0.638237 0.353511 O\n0.639115 0.649033 0.061615 O\n0.135493 0.572626 0.152430 O\n0.148914 0.860550 0.438556 O\n0.431299 0.844961 0.136438 O\n0.860550 0.438556 0.148914 O\n0.844961 0.136438 0.431299 O\n0.572626 0.152430 0.135493 O\n0.862072 0.565568 0.853411 O\n0.853411 0.862072 0.565568 O\n0.565568 0.853411 0.862072 O\n0.136438 0.431299 0.844961 O\n0.152430 0.135493 0.572626 O\n0.438556 0.148914 0.860550 O\n",
            "nsites": 46,
            "nelements": 6,
            "elements": [
                "Na",
                "Al",
                "Ga",
                "Si",
                "Cl",
                "O"
            ],
            "chemical_system": "Al-Cl-Ga-Na-O-Si",
            "density": 2.486699624249578,
            "density_atomic": 0.0627700845932572,
            "volume": 732.8331688267526,
            "volume_molar": 9.593966296242497,
            "formula_full": "Na8 Al3 Ga3 Si6 Cl2 O24",
            "formula_reduced": "Na8Al3Ga3Si6(ClO12)2",
            "formula_anonymous": "A2B3C3D6E8F24",
            "energy": -318.58216337,
            "energy_per_atom": -6.925699203695652,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -300.86616337,
            "band_gap": 4.4061,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0013571,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:33.724000Z",
            "spacegroup": 146
        },
        {
            "id": "mp-535042",
            "created_at": "2022-09-04T14:42:10.821956Z",
            "structure_string": "Na8 Al6 Ge6 B2 H8 O24\n1.0\n9.139797 0.000000 0.000000\n0.000000 9.139797 0.000000\n0.000000 0.000000 9.139797\nNa Al Ge B H O\n8 6 6 2 8 24\ndirect\n0.827306 0.827306 0.172694 Na\n0.827306 0.172694 0.827306 Na\n0.172694 0.827306 0.827306 Na\n0.172694 0.172694 0.172694 Na\n0.327306 0.327306 0.672694 Na\n0.327306 0.672694 0.327306 Na\n0.672694 0.327306 0.327306 Na\n0.672694 0.672694 0.672694 Na\n0.750000 0.000000 0.500000 Al\n0.000000 0.500000 0.750000 Al\n0.250000 0.000000 0.500000 Al\n0.500000 0.250000 0.000000 Al\n0.500000 0.750000 0.000000 Al\n0.000000 0.500000 0.250000 Al\n0.750000 0.500000 0.000000 Ge\n0.000000 0.750000 0.500000 Ge\n0.250000 0.500000 0.000000 Ge\n0.500000 0.000000 0.250000 Ge\n0.500000 0.000000 0.750000 Ge\n0.000000 0.250000 0.500000 Ge\n0.000000 0.000000 0.000000 B\n0.500000 0.500000 0.500000 B\n0.577699 0.577699 0.422301 H\n0.577699 0.422301 0.577699 H\n0.077699 0.077699 0.922301 H\n0.077699 0.922301 0.077699 H\n0.422301 0.577699 0.577699 H\n0.422301 0.422301 0.422301 H\n0.922301 0.922301 0.922301 H\n0.922301 0.077699 0.077699 H\n0.573631 0.856565 0.143776 O\n0.573631 0.143435 0.856224 O\n0.856224 0.573631 0.143435 O\n0.856224 0.426369 0.856565 O\n0.856565 0.143776 0.573631 O\n0.856565 0.856224 0.426369 O\n0.073631 0.356224 0.643435 O\n0.073631 0.643776 0.356565 O\n0.143435 0.856224 0.573631 O\n0.143435 0.143776 0.426369 O\n0.143776 0.573631 0.856565 O\n0.143776 0.426369 0.143435 O\n0.356224 0.356565 0.926369 O\n0.356224 0.643435 0.073631 O\n0.356565 0.073631 0.643776 O\n0.356565 0.926369 0.356224 O\n0.426369 0.856565 0.856224 O\n0.426369 0.143435 0.143776 O\n0.643435 0.073631 0.356224 O\n0.643435 0.926369 0.643776 O\n0.643776 0.356565 0.073631 O\n0.643776 0.643435 0.926369 O\n0.926369 0.356224 0.356565 O\n0.926369 0.643776 0.643435 O\n",
            "nsites": 54,
            "nelements": 6,
            "elements": [
                "Na",
                "Al",
                "Ge",
                "B",
                "H",
                "O"
            ],
            "chemical_system": "Al-B-Ge-H-Na-O",
            "density": 2.5996991428471787,
            "density_atomic": 0.07072681644625017,
            "volume": 763.5010695135422,
            "volume_molar": 8.514649835224251,
            "formula_full": "Na8 Al6 Ge6 B2 H8 O24",
            "formula_reduced": "Na4Al3Ge3B(HO3)4",
            "formula_anonymous": "AB3C3D4E4F12",
            "energy": -337.72615219,
            "energy_per_atom": -6.254188003518518,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -319.80615219,
            "band_gap": 4.2134,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0031766,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:43.647000Z",
            "spacegroup": 218
        },
        {
            "id": "mp-1351227",
            "created_at": "2022-09-04T14:40:24.248352Z",
            "structure_string": "Na1 Al1 H22 C10 N2 O12\n1.0\n-8.251710 0.000000 0.000000\n3.811326 7.681365 0.000000\n-0.241195 -4.657922 -8.073214\nNa Al H C N O\n1 1 22 10 2 12\ndirect\n0.026102 0.027910 0.026446 Na\n0.494624 0.478620 0.501172 Al\n0.153296 0.727152 0.612879 H\n0.391099 0.771012 0.954022 H\n0.844801 0.667035 0.367209 H\n0.190608 0.215671 0.338698 H\n0.354913 0.809254 0.319186 H\n0.669618 0.174743 0.654675 H\n0.809221 0.685509 0.748544 H\n0.209761 0.353666 0.695742 H\n0.700157 0.592714 0.051803 H\n0.889847 0.163207 0.346444 H\n0.467000 0.195452 0.098084 H\n0.897092 0.548256 0.170397 H\n0.326689 0.945399 0.648316 H\n0.534923 0.766960 0.794293 H\n0.684150 0.404253 0.223938 H\n0.263310 0.553373 0.919543 H\n0.837404 0.376260 0.003140 H\n0.918598 0.058387 0.566277 H\n0.147886 0.686264 0.913635 H\n0.553881 0.118275 0.006351 H\n0.697768 0.077859 0.436977 H\n0.890138 0.280225 0.463978 H\n0.259750 0.795446 0.698647 C\n0.268096 0.697727 0.879070 C\n0.315330 0.249578 0.297422 C\n0.753688 0.755523 0.296397 C\n0.238014 0.685139 0.300070 C\n0.758880 0.285129 0.709553 C\n0.249993 0.231677 0.728252 C\n0.669593 0.677662 0.738800 C\n0.718159 0.370457 0.031449 C\n0.848462 0.144995 0.452963 C\n0.571814 0.212465 0.052705 N\n0.750082 0.481391 0.125888 N\n0.300340 0.185600 0.194558 O\n0.789264 0.888951 0.167360 O\n0.468527 0.355030 0.360642 O\n0.615619 0.709006 0.357142 O\n0.087060 0.707425 0.204314 O\n0.265541 0.528185 0.377431 O\n0.721699 0.439560 0.632858 O\n0.885497 0.256730 0.834218 O\n0.364187 0.257890 0.648666 O\n0.527266 0.615627 0.641359 O\n0.185838 0.082389 0.835659 O\n0.664318 0.765565 0.824534 O\n",
            "nsites": 48,
            "nelements": 6,
            "elements": [
                "Na",
                "Al",
                "H",
                "C",
                "N",
                "O"
            ],
            "chemical_system": "Al-C-H-N-Na-O",
            "density": 1.3377982310286767,
            "density_atomic": 0.09380206815946514,
            "volume": 511.7157962700691,
            "volume_molar": 6.420051154695498,
            "formula_full": "Na1 Al1 H22 C10 N2 O12",
            "formula_reduced": "NaAlH22C10(NO6)2",
            "formula_anonymous": "ABC2D10E12F22",
            "energy": -143.89391602,
            "energy_per_atom": -2.9977899170833333,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -137.59191602,
            "band_gap": 0.0267,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 0.0065626,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:05.714000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-1173817",
            "created_at": "2022-09-04T14:39:14.352461Z",
            "structure_string": "Na1 Al1 H22 C10 N2 O12\n1.0\n7.336928 -0.216970 5.760749\n2.729349 7.010462 5.507747\n0.144279 -0.309367 9.804012\nNa Al H C N O\n1 1 22 10 2 12\ndirect\n0.028253 0.972090 0.026102 Na\n0.485168 0.521380 0.494624 Al\n0.186736 0.272848 0.153296 H\n0.333935 0.228988 0.391099 H\n0.189443 0.332965 0.844801 H\n0.363762 0.784329 0.190608 H\n0.773526 0.190746 0.354913 H\n0.159800 0.825257 0.669618 H\n0.624831 0.314491 0.809221 H\n0.839647 0.646334 0.209761 H\n0.944359 0.407286 0.700157 H\n0.619804 0.836793 0.889847 H\n0.826537 0.804548 0.467000 H\n0.821561 0.451744 0.897092 H\n0.267026 0.054601 0.326688 H\n0.026330 0.233040 0.534923 H\n0.944042 0.595747 0.684150 H\n0.209606 0.446627 0.263310 H\n0.541996 0.623740 0.837404 H\n0.706065 0.941613 0.918598 H\n0.452014 0.313736 0.147886 H\n0.570745 0.881725 0.553881 H\n0.817067 0.922141 0.697768 H\n0.854066 0.719775 0.890138 H\n0.234342 0.204554 0.259750 C\n0.308701 0.302273 0.268096 C\n0.231669 0.750422 0.315330 C\n0.298231 0.244477 0.753688 C\n0.747195 0.314861 0.238014 C\n0.235802 0.714871 0.758880 C\n0.709936 0.768323 0.249993 C\n0.746869 0.322338 0.669593 C\n0.683747 0.629543 0.718159 C\n0.749495 0.855005 0.848462 C\n0.693356 0.787535 0.571814 N\n0.857197 0.518609 0.750082 N\n0.079818 0.814400 0.300340 O\n0.267047 0.111049 0.789264 O\n0.247145 0.644970 0.468527 O\n0.450529 0.290994 0.615619 O\n0.824679 0.292575 0.087060 O\n0.640075 0.471815 0.265541 O\n0.350720 0.560440 0.721699 O\n0.205451 0.743270 0.885497 O\n0.542369 0.742110 0.364187 O\n0.729721 0.384373 0.527266 O\n0.732210 0.917611 0.185838 O\n0.925780 0.234435 0.664318 O\n",
            "nsites": 48,
            "nelements": 6,
            "elements": [
                "Na",
                "Al",
                "H",
                "C",
                "N",
                "O"
            ],
            "chemical_system": "Al-C-H-N-Na-O",
            "density": 1.3377983179927575,
            "density_atomic": 0.0938020742571041,
            "volume": 511.71576300579216,
            "volume_molar": 6.420050737357669,
            "formula_full": "Na1 Al1 H22 C10 N2 O12",
            "formula_reduced": "NaAlH22C10(NO6)2",
            "formula_anonymous": "ABC2D10E12F22",
            "energy": -288.87443045000003,
            "energy_per_atom": -6.018217301041667,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -279.90843045,
            "band_gap": 0.0547999999999999,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0004658,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:43.349000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-707443",
            "created_at": "2022-09-04T14:41:57.036268Z",
            "structure_string": "Na7 Al1 H2 C4 O12 F4\n1.0\n6.543116 0.000000 0.000000\n3.220921 5.946009 0.000000\n1.139325 1.075688 8.778848\nNa Al H C O F\n7 1 2 4 12 4\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.500000 0.000000 Na\n0.500000 0.000000 0.000000 Na\n0.339864 0.385125 0.641929 Na\n0.660136 0.614875 0.358071 Na\n0.657163 0.119477 0.355069 Na\n0.342837 0.880523 0.644931 Na\n0.500000 0.500000 0.000000 Al\n0.996839 0.227774 0.490495 H\n0.003161 0.772226 0.509505 H\n0.175760 0.111094 0.298519 C\n0.824240 0.888906 0.701481 C\n0.815271 0.387037 0.714742 C\n0.184729 0.612963 0.285258 C\n0.357549 0.992902 0.373757 O\n0.642451 0.007098 0.626243 O\n0.969197 0.228734 0.378718 O\n0.030803 0.771266 0.621282 O\n0.165139 0.131337 0.155873 O\n0.834861 0.868663 0.844127 O\n0.024399 0.256497 0.661858 O\n0.975601 0.743503 0.338142 O\n0.782926 0.392387 0.863981 O\n0.217074 0.607613 0.136019 O\n0.647023 0.505255 0.626479 O\n0.352977 0.494745 0.373521 O\n0.358902 0.393729 0.891750 F\n0.641098 0.606271 0.108250 F\n0.635127 0.213870 0.105618 F\n0.364873 0.786130 0.894382 F\n",
            "nsites": 30,
            "nelements": 6,
            "elements": [
                "Na",
                "Al",
                "H",
                "C",
                "O",
                "F"
            ],
            "chemical_system": "Al-C-F-H-Na-O",
            "density": 2.4598764346889164,
            "density_atomic": 0.08783620085594267,
            "volume": 341.5448267076355,
            "volume_molar": 6.856103407610627,
            "formula_full": "Na7 Al1 H2 C4 O12 F4",
            "formula_reduced": "Na7AlH2C4(O3F)4",
            "formula_anonymous": "AB2C4D4E7F12",
            "energy": -193.3478904,
            "energy_per_atom": -6.44492968,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -183.2558904,
            "band_gap": 4.805499999999999,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0002394,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:31.689000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-43068",
            "created_at": "2022-09-04T14:43:17.457117Z",
            "structure_string": "Na6 Al6 Si6 Ag2 Br2 O24\n1.0\n6.394421 6.389517 0.000000\n-6.394421 6.389517 0.000000\n0.000000 0.001891 9.044048\nNa Al Si Ag Br O\n6 6 6 2 2 24\ndirect\n0.812110 0.309678 0.190570 Na\n0.688872 0.190422 0.689457 Na\n0.309678 0.812110 0.690570 Na\n0.689424 0.809697 0.309684 Na\n0.190422 0.688872 0.189457 Na\n0.809697 0.689424 0.809684 Na\n0.498535 0.499673 0.749716 Al\n0.001815 0.249952 0.501136 Al\n0.750022 0.999945 0.000076 Al\n0.249952 0.001815 0.001136 Al\n0.999945 0.750021 0.500076 Al\n0.499673 0.498535 0.249716 Al\n0.250033 0.500547 0.500563 Si\n0.500547 0.250033 0.000563 Si\n0.000068 0.999844 0.249681 Si\n0.999844 0.000068 0.749681 Si\n0.499527 0.749980 0.000352 Si\n0.749980 0.499527 0.500352 Si\n0.164993 0.335062 0.835934 Ag\n0.335062 0.164993 0.335934 Ag\n0.997030 0.502863 0.001157 Br\n0.502863 0.997030 0.501157 Br\n0.348109 0.443071 0.358810 O\n0.650790 0.443553 0.641640 O\n0.149557 0.361956 0.560500 O\n0.850320 0.359251 0.444463 O\n0.443071 0.348109 0.858810 O\n0.560682 0.352020 0.137729 O\n0.361956 0.149557 0.060500 O\n0.640906 0.150340 0.942794 O\n0.056623 0.141082 0.348851 O\n0.940874 0.137777 0.648081 O\n0.141082 0.056623 0.848851 O\n0.858201 0.056559 0.151567 O\n0.137777 0.940874 0.148081 O\n0.859327 0.943159 0.849616 O\n0.056559 0.858201 0.651567 O\n0.943159 0.859327 0.349616 O\n0.359251 0.850320 0.944463 O\n0.641472 0.848397 0.056207 O\n0.443553 0.650790 0.141640 O\n0.555311 0.650400 0.859384 O\n0.150340 0.640906 0.442794 O\n0.848397 0.641472 0.556207 O\n0.352020 0.560682 0.637729 O\n0.650400 0.555311 0.359384 O\n",
            "nsites": 46,
            "nelements": 6,
            "elements": [
                "Na",
                "Al",
                "Si",
                "Ag",
                "Br",
                "O"
            ],
            "chemical_system": "Ag-Al-Br-Na-O-Si",
            "density": 2.75892360658298,
            "density_atomic": 0.06224374591056596,
            "volume": 739.0300716491975,
            "volume_molar": 9.675093733357288,
            "formula_full": "Na6 Al6 Si6 Ag2 Br2 O24",
            "formula_reduced": "Na3Al3Si3AgBrO12",
            "formula_anonymous": "ABC3D3E3F12",
            "energy": -325.67048485,
            "energy_per_atom": -7.079793148913043,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -308.11448485,
            "band_gap": 3.3353,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 2.27e-05,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:11.698000Z",
            "spacegroup": 9
        },
        {
            "id": "mp-534773",
            "created_at": "2022-09-04T14:42:51.517297Z",
            "structure_string": "Na2 Al17 Si11 B7 H6 O62\n1.0\n9.484622 0.000000 0.000000\n-3.921137 8.641318 0.000000\n-2.022226 -3.096637 12.746518\nNa Al Si B H O\n2 17 11 7 6 62\ndirect\n0.397166 0.396890 0.396905 Na\n0.864304 0.857591 0.856893 Na\n0.866492 0.431043 0.192629 Al\n0.365234 0.591045 0.029622 Al\n0.013665 0.195470 0.193913 Al\n0.287270 0.284849 0.103396 Al\n0.598501 0.375488 0.030818 Al\n0.754223 0.086078 0.310863 Al\n0.359023 0.919967 0.697898 Al\n0.866491 0.080498 0.535842 Al\n0.183715 0.003201 0.188721 Al\n0.519207 0.689122 0.679365 Al\n0.079287 0.864883 0.534086 Al\n0.253252 0.588105 0.808288 Al\n0.425105 0.867058 0.195594 Al\n0.078838 0.752475 0.306290 Al\n0.688603 0.518611 0.680365 Al\n0.586439 0.252927 0.808425 Al\n0.919831 0.360038 0.698561 Al\n0.707818 0.882545 0.078865 Si\n0.773358 0.585831 0.390545 Si\n0.670130 0.290407 0.482189 Si\n0.196104 0.390932 0.578423 Si\n0.266845 0.078416 0.889908 Si\n0.388930 0.196563 0.578548 Si\n0.160422 0.782602 0.987013 Si\n0.585858 0.775021 0.390505 Si\n0.289196 0.672362 0.481365 Si\n0.081795 0.267443 0.887958 Si\n0.789775 0.169274 0.984924 Si\n0.204135 0.533131 0.201816 B\n0.892775 0.695869 0.080719 B\n0.695523 0.024486 0.705109 B\n0.532474 0.203712 0.199390 B\n0.036417 0.037357 0.364458 B\n0.023812 0.695161 0.704214 B\n0.538497 0.538607 0.863878 B\n0.987256 0.362208 0.358894 H\n0.552248 0.552714 0.172827 H\n0.478519 0.862014 0.859157 H\n0.030137 0.028108 0.666789 H\n0.355656 0.987227 0.358253 H\n0.859468 0.480310 0.860704 H\n0.274674 0.898372 0.101518 O\n0.010714 0.804064 0.179770 O\n0.521837 0.801943 0.088069 O\n0.873508 0.585864 0.299972 O\n0.310405 0.641404 0.158615 O\n0.088667 0.566708 0.234482 O\n0.770184 0.752172 0.047141 O\n0.671890 0.398967 0.396849 O\n0.768627 0.392541 0.601285 O\n0.516458 0.311611 0.687798 O\n0.195496 0.480340 0.479883 O\n0.628753 0.629973 0.341898 O\n0.485665 0.486406 0.103128 O\n0.914361 0.294496 0.291224 O\n0.208488 0.388949 0.205787 O\n0.809465 0.529495 0.089931 O\n0.736235 0.166105 0.442521 O\n0.373637 0.090684 0.804677 O\n0.013541 0.302950 0.589324 O\n0.812445 0.134989 0.666463 O\n0.578528 0.067688 0.730812 O\n0.102559 0.104685 0.101417 O\n0.177347 0.896483 0.903181 O\n0.259158 0.260492 0.537634 O\n0.641656 0.311757 0.157400 O\n0.922313 0.072169 0.398552 O\n0.116433 0.115727 0.293963 O\n0.387823 0.205776 0.203901 O\n0.478167 0.195968 0.480125 O\n0.709182 0.978080 0.983033 O\n0.116994 0.116204 0.845693 O\n0.696283 0.891069 0.498111 O\n0.899385 0.274318 0.101988 O\n0.394841 0.796464 0.795814 O\n0.013899 0.013411 0.590989 O\n0.689567 0.884965 0.720390 O\n0.568133 0.088213 0.231794 O\n0.067248 0.920083 0.396427 O\n0.228372 0.656421 0.947149 O\n0.301642 0.013919 0.589062 O\n0.291406 0.913338 0.290196 O\n0.889118 0.695842 0.498345 O\n0.815963 0.018150 0.187694 O\n0.561640 0.561494 0.589482 O\n0.134164 0.811539 0.665338 O\n0.422889 0.572346 0.899919 O\n0.613329 0.613517 0.792857 O\n0.884298 0.689173 0.719326 O\n0.164384 0.737948 0.441313 O\n0.586934 0.875644 0.299296 O\n0.974809 0.697646 0.991049 O\n0.206636 0.374649 0.000758 O\n0.392855 0.770174 0.600515 O\n0.398582 0.674851 0.396428 O\n0.067167 0.578548 0.730508 O\n0.569010 0.420832 0.898624 O\n0.795833 0.396899 0.796403 O\n0.312166 0.518660 0.687439 O\n0.376189 0.207117 0.000755 O\n0.094853 0.374733 0.803230 O\n0.657860 0.230202 0.947575 O\n0.899406 0.184992 0.900337 O\n",
            "nsites": 105,
            "nelements": 6,
            "elements": [
                "Na",
                "Al",
                "Si",
                "B",
                "H",
                "O"
            ],
            "chemical_system": "Al-B-H-Na-O-Si",
            "density": 2.999832420266012,
            "density_atomic": 0.10050732648596793,
            "volume": 1044.6999604019843,
            "volume_molar": 5.991743060483024,
            "formula_full": "Na2 Al17 Si11 B7 H6 O62",
            "formula_reduced": "Na2Al17Si11B7(H3O31)2",
            "formula_anonymous": "A2B6C7D11E17F62",
            "energy": -822.29758831,
            "energy_per_atom": -7.8314056029523815,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -779.70358831,
            "band_gap": 4.069699999999999,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 7.2e-06,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:14.657000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-694981",
            "created_at": "2022-09-04T14:42:16.884382Z",
            "structure_string": "Na8 Al6 Si6 B2 H8 O24\n1.0\n8.987247 0.000000 0.000000\n0.000000 8.987247 0.000000\n0.000000 0.000000 8.987247\nNa Al Si B H O\n8 6 6 2 8 24\ndirect\n0.821287 0.821287 0.178713 Na\n0.821287 0.178713 0.821287 Na\n0.178713 0.821287 0.821287 Na\n0.178713 0.178713 0.178713 Na\n0.321287 0.321287 0.678713 Na\n0.321287 0.678713 0.321287 Na\n0.678713 0.321287 0.321287 Na\n0.678713 0.678713 0.678713 Na\n0.750000 0.000000 0.500000 Al\n0.000000 0.500000 0.750000 Al\n0.250000 0.000000 0.500000 Al\n0.500000 0.750000 0.000000 Al\n0.500000 0.250000 0.000000 Al\n0.000000 0.500000 0.250000 Al\n0.750000 0.500000 0.000000 Si\n0.000000 0.750000 0.500000 Si\n0.250000 0.500000 0.000000 Si\n0.500000 0.000000 0.750000 Si\n0.500000 0.000000 0.250000 Si\n0.000000 0.250000 0.500000 Si\n0.000000 0.000000 0.000000 B\n0.500000 0.500000 0.500000 B\n0.579160 0.579160 0.420840 H\n0.579160 0.420840 0.579160 H\n0.079160 0.079160 0.920840 H\n0.079160 0.920840 0.079160 H\n0.420840 0.579160 0.579160 H\n0.420840 0.420840 0.420840 H\n0.920840 0.920840 0.920840 H\n0.920840 0.079160 0.079160 H\n0.561803 0.860361 0.149617 O\n0.561803 0.139639 0.850383 O\n0.850383 0.561803 0.139639 O\n0.850383 0.438197 0.860361 O\n0.860361 0.149617 0.561803 O\n0.860361 0.850383 0.438197 O\n0.061803 0.350383 0.639639 O\n0.061803 0.649617 0.360361 O\n0.139639 0.850383 0.561803 O\n0.139639 0.149617 0.438197 O\n0.149617 0.561803 0.860361 O\n0.149617 0.438197 0.139639 O\n0.350383 0.360361 0.938197 O\n0.350383 0.639639 0.061803 O\n0.360361 0.061803 0.649617 O\n0.360361 0.938197 0.350383 O\n0.438197 0.860361 0.850383 O\n0.438197 0.139639 0.149617 O\n0.639639 0.061803 0.350383 O\n0.639639 0.938197 0.649617 O\n0.649617 0.360361 0.061803 O\n0.649617 0.639639 0.938197 O\n0.938197 0.350383 0.360361 O\n0.938197 0.649617 0.639639 O\n",
            "nsites": 54,
            "nelements": 6,
            "elements": [
                "Na",
                "Al",
                "Si",
                "B",
                "H",
                "O"
            ],
            "chemical_system": "Al-B-H-Na-O-Si",
            "density": 2.122819484896894,
            "density_atomic": 0.07438985747010235,
            "volume": 725.9054101791077,
            "volume_molar": 8.095378812118748,
            "formula_full": "Na8 Al6 Si6 B2 H8 O24",
            "formula_reduced": "Na4Al3Si3B(HO3)4",
            "formula_anonymous": "AB3C3D4E4F12",
            "energy": -363.86048339,
            "energy_per_atom": -6.738157099814815,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -345.94048339,
            "band_gap": 4.9472,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0014506,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:43.546000Z",
            "spacegroup": 218
        },
        {
            "id": "mp-1173755",
            "created_at": "2022-09-04T14:39:20.919241Z",
            "structure_string": "Na8 Al6 Si6 B2 O24 F8\n1.0\n8.970146 0.000000 0.000000\n-0.068472 9.149688 0.000000\n-0.043810 -0.195754 9.436015\nNa Al Si B O F\n8 6 6 2 24 8\ndirect\n0.776982 0.754937 0.770829 Na\n0.255233 0.746146 0.260235 Na\n0.274139 0.719743 0.696375 Na\n0.707564 0.696974 0.249190 Na\n0.284487 0.294540 0.294669 Na\n0.720715 0.292763 0.713903 Na\n0.237133 0.244518 0.727675 Na\n0.759741 0.254207 0.229061 Na\n0.236529 0.001093 0.484879 Al\n0.728312 0.996799 0.492818 Al\n0.491590 0.746576 0.972650 Al\n0.026949 0.489667 0.721772 Al\n0.021960 0.511969 0.260273 Al\n0.492640 0.253985 0.004622 Al\n0.491013 0.988526 0.234486 Si\n0.484971 0.012209 0.742799 Si\n0.977769 0.749622 0.505171 Si\n0.757226 0.499708 0.977831 Si\n0.236981 0.496662 0.989666 Si\n0.984482 0.249516 0.470389 Si\n0.979417 0.057469 0.974818 B\n0.516146 0.539428 0.519988 B\n0.628878 0.945026 0.338431 O\n0.337342 0.977272 0.643539 O\n0.457747 0.843894 0.132301 O\n0.522741 0.863892 0.829380 O\n0.125283 0.845754 0.461612 O\n0.830245 0.846075 0.545997 O\n0.015865 0.670517 0.655303 O\n0.932365 0.647340 0.367256 O\n0.339332 0.631455 0.927673 O\n0.659699 0.650984 0.991970 O\n0.129662 0.572907 0.110636 O\n0.852803 0.513222 0.832161 O\n0.127740 0.421514 0.871324 O\n0.867515 0.492866 0.119184 O\n0.341541 0.366572 0.054641 O\n0.658600 0.347926 0.959764 O\n0.000841 0.329164 0.317453 O\n0.947381 0.351274 0.609660 O\n0.141725 0.165705 0.503786 O\n0.841128 0.142131 0.445074 O\n0.529573 0.136456 0.147036 O\n0.446149 0.152827 0.846944 O\n0.340431 0.017948 0.328490 O\n0.626041 0.057666 0.642956 O\n0.550978 0.599613 0.646613 F\n0.527719 0.395807 0.504078 F\n0.203622 0.526026 0.354325 F\n0.479428 0.630442 0.418281 F\n0.638961 0.461131 0.245913 F\n0.226789 0.478056 0.636375 F\n0.851729 0.001873 0.019323 F\n0.020879 0.034728 0.841131 F\n",
            "nsites": 54,
            "nelements": 6,
            "elements": [
                "Na",
                "Al",
                "Si",
                "B",
                "O",
                "F"
            ],
            "chemical_system": "Al-B-F-Na-O-Si",
            "density": 2.298344426784869,
            "density_atomic": 0.06972673673689772,
            "volume": 774.4518462660894,
            "volume_molar": 8.636774129733835,
            "formula_full": "Na8 Al6 Si6 B2 O24 F8",
            "formula_reduced": "Na4Al3Si3B(O3F)4",
            "formula_anonymous": "AB3C3D4E4F12",
            "energy": -374.62235005,
            "energy_per_atom": -6.937450926851852,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -354.43835005,
            "band_gap": 0.532,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 1.9962073,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:39.544000Z",
            "spacegroup": 1
        }
    ]
}