GET /third-parties/MatprojStructure/?format=api&ordering=-elements&page=11
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=12",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-elements&page=10",
    "results": [
        {
            "id": "mp-1233282",
            "created_at": "2022-09-04T14:40:06.856584Z",
            "structure_string": "Mg1 Zn1 H20 Pt1 C4 N4 O12\n1.0\n-7.565705 0.009201 -0.003082\n0.009840 -7.988400 -0.008776\n3.781004 3.995037 7.338216\nMg Zn H Pt C N O\n1 1 20 1 4 4 12\ndirect\n0.391655 0.891074 0.782748 Mg\n0.008042 0.508495 0.016255 Zn\n0.454132 0.747268 0.128180 H\n0.675182 0.383482 0.130248 H\n0.292255 0.234860 0.803817 H\n0.510134 0.565555 0.800105 H\n0.656520 0.888817 0.311176 H\n0.656180 0.424392 0.312959 H\n0.301903 0.113846 0.614424 H\n0.308869 0.500083 0.612696 H\n0.674721 0.747817 0.127648 H\n0.454227 0.382458 0.130021 H\n0.507767 0.233863 0.798453 H\n0.290878 0.563595 0.798093 H\n0.948138 0.788965 0.898098 H\n0.950369 0.109463 0.898490 H\n0.059151 0.209562 0.115626 H\n0.056293 0.906740 0.115278 H\n0.923545 0.817527 0.635284 H\n0.712076 0.818054 0.635246 H\n0.292228 0.184354 0.369841 H\n0.077720 0.184284 0.369668 H\n0.567897 0.068379 0.135487 Pt\n0.926892 0.321069 0.643949 C\n0.717082 0.320637 0.643627 C\n0.300967 0.697807 0.394701 C\n0.093912 0.696747 0.394583 C\n0.586448 0.832044 0.171871 N\n0.586540 0.341970 0.173579 N\n0.373051 0.148035 0.749103 N\n0.375185 0.599731 0.747864 N\n0.079841 0.403049 0.802779 O\n0.722626 0.399226 0.802249 O\n0.300828 0.621930 0.241331 O\n0.940564 0.620167 0.241081 O\n0.933228 0.244544 0.495397 O\n0.562256 0.246761 0.494823 O\n0.452861 0.775471 0.550170 O\n0.097456 0.773597 0.549925 O\n0.001749 0.775752 0.009954 O\n0.008102 0.234931 0.010376 O\n0.857887 0.857886 0.715287 O\n0.145974 0.146073 0.291795 O\n",
            "nsites": 43,
            "nelements": 7,
            "elements": [
                "Mg",
                "Zn",
                "H",
                "Pt",
                "C",
                "N",
                "O"
            ],
            "chemical_system": "C-H-Mg-N-O-Pt-Zn",
            "density": 2.252111355245097,
            "density_atomic": 0.09703331582521695,
            "volume": 443.14676494673796,
            "volume_molar": 6.206260920576489,
            "formula_full": "Mg1 Zn1 H20 Pt1 C4 N4 O12",
            "formula_reduced": "MgZnH20PtC4(NO3)4",
            "formula_anonymous": "ABCD4E4F12G20",
            "energy": -252.05377987,
            "energy_per_atom": -5.8617158109302325,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -242.36577987,
            "band_gap": 1.2155,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:54.207000Z",
            "spacegroup": 44
        },
        {
            "id": "mp-606304",
            "created_at": "2022-09-04T14:48:19.086824Z",
            "structure_string": "Mg2 H32 C8 S8 N4 O32 F24\n1.0\n16.269857 0.000000 0.000000\n0.000000 7.435842 0.000000\n0.000000 5.504888 13.615613\nMg H C S N O F\n2 32 8 8 4 32 24\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.033290 0.991545 0.748861 H\n0.227494 0.490351 0.303491 H\n0.164098 0.496445 0.624867 H\n0.466710 0.991545 0.248861 H\n0.599390 0.891964 0.661090 H\n0.835902 0.503555 0.375133 H\n0.138393 0.904037 0.863399 H\n0.772506 0.509649 0.696509 H\n0.400610 0.108036 0.338910 H\n0.310854 0.408095 0.354499 H\n0.810854 0.591905 0.145501 H\n0.839091 0.768867 0.788935 H\n0.533290 0.008455 0.751139 H\n0.861607 0.095963 0.136601 H\n0.727494 0.509649 0.196509 H\n0.099390 0.108036 0.838910 H\n0.787404 0.941527 0.400484 H\n0.339091 0.231133 0.711065 H\n0.212596 0.058473 0.599516 H\n0.272506 0.490351 0.803491 H\n0.966710 0.008455 0.251139 H\n0.664098 0.503555 0.875133 H\n0.287404 0.058473 0.099516 H\n0.689146 0.591905 0.645501 H\n0.335902 0.496445 0.124867 H\n0.160909 0.231133 0.211065 H\n0.638393 0.095963 0.636601 H\n0.900610 0.891964 0.161090 H\n0.660909 0.768867 0.288935 H\n0.712596 0.941527 0.900484 H\n0.189146 0.408095 0.854499 H\n0.361607 0.904037 0.363399 H\n0.887790 0.460540 0.426207 C\n0.641491 0.863304 0.151352 C\n0.858509 0.863304 0.651352 C\n0.358509 0.136696 0.848648 C\n0.387790 0.539460 0.073793 C\n0.112210 0.539460 0.573793 C\n0.141491 0.136696 0.348648 C\n0.612210 0.460540 0.926207 C\n0.650219 0.280895 0.418540 S\n0.748032 0.995984 0.313837 S\n0.349781 0.719105 0.581460 S\n0.849781 0.280895 0.918540 S\n0.248032 0.004016 0.186163 S\n0.251968 0.004016 0.686163 S\n0.150219 0.719105 0.081460 S\n0.751968 0.995984 0.813837 S\n0.801613 0.780423 0.848301 N\n0.198387 0.219577 0.151699 N\n0.698387 0.780423 0.348301 N\n0.301613 0.219577 0.651699 N\n0.248277 0.382302 0.857620 O\n0.028919 0.391544 0.789143 O\n0.585659 0.028391 0.647981 O\n0.751723 0.617698 0.142380 O\n0.272370 0.730786 0.637720 O\n0.596729 0.446538 0.360419 O\n0.096729 0.553462 0.139581 O\n0.069883 0.311212 0.869062 O\n0.695509 0.661919 0.433777 O\n0.772370 0.269214 0.862280 O\n0.727630 0.269214 0.362280 O\n0.227630 0.730786 0.137720 O\n0.748277 0.617698 0.642380 O\n0.403271 0.553462 0.639581 O\n0.085659 0.971609 0.852019 O\n0.971081 0.608456 0.210857 O\n0.898114 0.088724 0.933973 O\n0.304491 0.338081 0.566223 O\n0.601886 0.088724 0.433973 O\n0.251723 0.382302 0.357620 O\n0.398114 0.911276 0.566027 O\n0.430117 0.311212 0.369062 O\n0.804491 0.661919 0.933777 O\n0.471081 0.391544 0.289143 O\n0.101886 0.911276 0.066027 O\n0.914341 0.028391 0.147981 O\n0.903271 0.446538 0.860419 O\n0.569883 0.688788 0.630938 O\n0.930117 0.688788 0.130938 O\n0.528919 0.608456 0.710857 O\n0.414341 0.971609 0.352019 O\n0.195509 0.338081 0.066223 O\n0.555575 0.604539 0.904697 F\n0.993619 0.004168 0.698163 F\n0.575947 0.299900 0.921395 F\n0.137963 0.579950 0.480468 F\n0.679369 0.029235 0.099941 F\n0.075947 0.700100 0.578605 F\n0.320631 0.970765 0.900059 F\n0.493619 0.995832 0.801837 F\n0.637963 0.420050 0.019532 F\n0.444425 0.395461 0.095303 F\n0.006381 0.995832 0.301837 F\n0.055575 0.395461 0.595303 F\n0.900945 0.817533 0.587608 F\n0.099055 0.182467 0.412392 F\n0.424053 0.700100 0.078605 F\n0.179369 0.970765 0.400059 F\n0.820631 0.029235 0.599941 F\n0.506381 0.004168 0.198163 F\n0.944425 0.604539 0.404697 F\n0.362037 0.579950 0.980468 F\n0.400945 0.182467 0.912392 F\n0.862037 0.420050 0.519532 F\n0.599055 0.817533 0.087608 F\n0.924053 0.299900 0.421395 F\n",
            "nsites": 110,
            "nelements": 7,
            "elements": [
                "Mg",
                "H",
                "C",
                "S",
                "N",
                "O",
                "F"
            ],
            "chemical_system": "C-F-H-Mg-N-O-S",
            "density": 1.4692252501552048,
            "density_atomic": 0.06677925925468403,
            "volume": 1647.2180318814242,
            "volume_molar": 9.017980773091004,
            "formula_full": "Mg2 H32 C8 S8 N4 O32 F24",
            "formula_reduced": "MgH16C4S4N2(O4F3)4",
            "formula_anonymous": "AB2C4D4E12F16G16",
            "energy": -576.49218729,
            "energy_per_atom": -5.240838066272727,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -543.42018729,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0001564,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:38:49.477000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-1182733",
            "created_at": "2022-09-04T14:45:54.952542Z",
            "structure_string": "Mg2 H32 C8 S8 N4 O32 F24\n1.0\n14.306928 0.000000 0.000000\n0.000000 7.111001 0.000000\n0.000000 5.227546 17.151587\nMg H C S N O F\n2 32 8 8 4 32 24\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.036899 0.108814 0.246671 H\n0.215526 0.416119 0.670997 H\n0.189421 0.572482 0.369141 H\n0.463101 0.108814 0.746671 H\n0.629766 0.055907 0.291548 H\n0.810579 0.427518 0.630859 H\n0.167768 0.158544 0.211987 H\n0.784474 0.583881 0.329003 H\n0.370234 0.944093 0.708452 H\n0.308133 0.489601 0.697168 H\n0.808133 0.510399 0.802832 H\n0.877141 0.185443 0.201050 H\n0.536899 0.891186 0.253329 H\n0.832232 0.841456 0.788013 H\n0.715526 0.583881 0.829003 H\n0.129766 0.944093 0.208452 H\n0.755488 0.044588 0.585043 H\n0.377141 0.814557 0.298950 H\n0.244512 0.955412 0.414957 H\n0.284474 0.416119 0.170997 H\n0.963101 0.891186 0.753329 H\n0.689421 0.427518 0.130859 H\n0.255488 0.955412 0.914957 H\n0.691867 0.510399 0.302832 H\n0.310579 0.572482 0.869141 H\n0.122859 0.814557 0.798950 H\n0.667768 0.841456 0.288013 H\n0.870234 0.055907 0.791548 H\n0.622859 0.185443 0.701050 H\n0.744512 0.044588 0.085043 H\n0.191867 0.489601 0.197168 H\n0.332232 0.158544 0.711987 H\n0.860851 0.499190 0.584912 C\n0.655623 0.152469 0.893590 C\n0.844377 0.152469 0.393590 C\n0.344377 0.847531 0.106410 C\n0.360851 0.500810 0.915088 C\n0.139149 0.500810 0.415088 C\n0.155623 0.847531 0.606410 C\n0.639149 0.499190 0.084912 C\n0.646688 0.189383 0.423431 S\n0.679693 0.999643 0.634469 S\n0.353312 0.810617 0.576569 S\n0.853312 0.189383 0.923431 S\n0.179693 0.000357 0.865531 S\n0.320307 0.000357 0.365531 S\n0.146688 0.810617 0.076569 S\n0.820307 0.999643 0.134469 S\n0.817844 0.177672 0.167443 N\n0.182156 0.822328 0.832557 N\n0.682156 0.177672 0.667443 N\n0.317844 0.822328 0.332557 N\n0.228224 0.369642 0.201382 O\n0.950387 0.551861 0.258266 O\n0.623433 0.951992 0.265861 O\n0.771776 0.630358 0.798618 O\n0.398961 0.029868 0.418757 O\n0.548420 0.727970 0.478356 O\n0.048420 0.272030 0.021644 O\n0.132792 0.736161 0.165140 O\n0.605479 0.607557 0.519982 O\n0.898961 0.970132 0.081243 O\n0.601039 0.970132 0.581243 O\n0.101039 0.029868 0.918757 O\n0.728224 0.630358 0.298618 O\n0.451580 0.272030 0.521644 O\n0.123433 0.048008 0.234139 O\n0.049613 0.448139 0.741734 O\n0.950767 0.719539 0.265139 O\n0.394521 0.392443 0.480018 O\n0.549233 0.719539 0.765139 O\n0.271776 0.369642 0.701382 O\n0.450767 0.280461 0.234861 O\n0.367208 0.736161 0.665140 O\n0.894521 0.607557 0.019982 O\n0.549613 0.551861 0.758266 O\n0.049233 0.280461 0.734861 O\n0.876567 0.951992 0.765861 O\n0.951580 0.727970 0.978356 O\n0.632792 0.263839 0.334860 O\n0.867208 0.263839 0.834860 O\n0.450387 0.448139 0.241734 O\n0.376567 0.048008 0.734139 O\n0.105479 0.392443 0.980018 O\n0.562270 0.385405 0.088185 F\n0.972262 0.159868 0.259280 F\n0.611343 0.676383 0.091907 F\n0.178667 0.469381 0.487019 F\n0.663487 0.977324 0.881137 F\n0.111343 0.323617 0.408093 F\n0.336513 0.022676 0.118863 F\n0.472262 0.840132 0.240720 F\n0.678667 0.530619 0.012981 F\n0.437730 0.614595 0.911815 F\n0.027738 0.840132 0.740720 F\n0.062270 0.614595 0.411815 F\n0.901513 0.121683 0.454497 F\n0.098487 0.878317 0.545503 F\n0.388657 0.323617 0.908093 F\n0.163487 0.022676 0.618863 F\n0.836513 0.977324 0.381137 F\n0.527738 0.159868 0.759280 F\n0.937730 0.385405 0.588185 F\n0.321333 0.469381 0.987019 F\n0.401513 0.878317 0.045503 F\n0.821333 0.530619 0.512981 F\n0.598487 0.121683 0.954497 F\n0.888657 0.676383 0.591907 F\n",
            "nsites": 110,
            "nelements": 7,
            "elements": [
                "Mg",
                "H",
                "C",
                "S",
                "N",
                "O",
                "F"
            ],
            "chemical_system": "C-F-H-Mg-N-O-S",
            "density": 1.386941136529967,
            "density_atomic": 0.06303927986368107,
            "volume": 1744.9437912023877,
            "volume_molar": 9.552997389917119,
            "formula_full": "Mg2 H32 C8 S8 N4 O32 F24",
            "formula_reduced": "MgH16C4S4N2(O4F3)4",
            "formula_anonymous": "AB2C4D4E12F16G16",
            "energy": -561.4259294799999,
            "energy_per_atom": -5.103872086181817,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -526.90992948,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0049595,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:14.259000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-1181934",
            "created_at": "2022-09-04T14:39:18.569626Z",
            "structure_string": "Mg2 H32 C8 S8 N4 O32 F24\n1.0\n16.034117 0.000000 0.000000\n0.000000 6.872094 0.000000\n0.000000 4.588869 16.105878\nMg H C S N O F\n2 32 8 8 4 32 24\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.053367 0.100713 0.226627 H\n0.237102 0.561168 0.658691 H\n0.178072 0.469419 0.387088 H\n0.446633 0.100713 0.726627 H\n0.608064 0.984496 0.367813 H\n0.821928 0.530581 0.612912 H\n0.133721 0.245943 0.196714 H\n0.762898 0.438832 0.341309 H\n0.391936 0.015504 0.632187 H\n0.325851 0.623502 0.630060 H\n0.825851 0.376498 0.869940 H\n0.904264 0.115908 0.204006 H\n0.553367 0.899287 0.273373 H\n0.866279 0.754057 0.803286 H\n0.737102 0.438832 0.841309 H\n0.108064 0.015504 0.132187 H\n0.816643 0.150016 0.659187 H\n0.404264 0.884092 0.295994 H\n0.183357 0.849984 0.340813 H\n0.262898 0.561168 0.158691 H\n0.946633 0.899287 0.773373 H\n0.678072 0.530581 0.112912 H\n0.316643 0.849984 0.840813 H\n0.674149 0.376498 0.369940 H\n0.321928 0.469419 0.887088 H\n0.095736 0.884092 0.795994 H\n0.633721 0.754057 0.303286 H\n0.891936 0.984496 0.867813 H\n0.595736 0.115908 0.704006 H\n0.683357 0.150016 0.159187 H\n0.174149 0.623502 0.130060 H\n0.366279 0.245943 0.696714 H\n0.880335 0.544073 0.577427 C\n0.641454 0.165368 0.894574 C\n0.858546 0.165368 0.394574 C\n0.358546 0.834632 0.105426 C\n0.380335 0.455927 0.922573 C\n0.119665 0.455927 0.422573 C\n0.141454 0.834632 0.605426 C\n0.619665 0.544073 0.077427 C\n0.667062 0.888876 0.502291 S\n0.755677 0.049135 0.710413 S\n0.332938 0.111124 0.497709 S\n0.832938 0.888876 0.002291 S\n0.255677 0.950865 0.789587 S\n0.244323 0.950865 0.289587 S\n0.167062 0.111124 0.997709 S\n0.744323 0.049135 0.210413 S\n0.826686 0.189325 0.163424 N\n0.173314 0.810675 0.836576 N\n0.673314 0.189325 0.663424 N\n0.326686 0.810675 0.336576 N\n0.204861 0.514161 0.168143 O\n0.978233 0.520949 0.228104 O\n0.613480 0.894257 0.289915 O\n0.795139 0.485839 0.831857 O\n0.266902 0.968673 0.491580 O\n0.503605 0.496601 0.660139 O\n0.003605 0.503399 0.839861 O\n0.099451 0.968876 0.079607 O\n0.680768 0.338053 0.603680 O\n0.766902 0.031327 0.008420 O\n0.733098 0.031327 0.508420 O\n0.233098 0.968673 0.991580 O\n0.704861 0.485839 0.331857 O\n0.496395 0.503399 0.339861 O\n0.113480 0.105743 0.210085 O\n0.021767 0.479051 0.771896 O\n0.901053 0.881951 0.067673 O\n0.319232 0.661947 0.396320 O\n0.598947 0.881951 0.567673 O\n0.295139 0.514161 0.668143 O\n0.401053 0.118049 0.432327 O\n0.400549 0.968876 0.579607 O\n0.819232 0.338053 0.103680 O\n0.521767 0.520949 0.728104 O\n0.098947 0.118049 0.932327 O\n0.886520 0.894257 0.789915 O\n0.996395 0.496601 0.160139 O\n0.599451 0.031124 0.420393 O\n0.900549 0.031124 0.920393 O\n0.478233 0.479051 0.271896 O\n0.386520 0.105743 0.710085 O\n0.180768 0.661947 0.896320 O\n0.571714 0.375128 0.106938 F\n0.956665 0.055377 0.238789 F\n0.575060 0.706433 0.084095 F\n0.135455 0.435741 0.503956 F\n0.642560 0.982644 0.882453 F\n0.075060 0.293567 0.415905 F\n0.357440 0.017356 0.117547 F\n0.456665 0.944623 0.261211 F\n0.635455 0.564259 0.996044 F\n0.428286 0.624872 0.893062 F\n0.043335 0.944623 0.761211 F\n0.071714 0.624872 0.393062 F\n0.911339 0.151355 0.456101 F\n0.088661 0.848645 0.543899 F\n0.424940 0.293567 0.915905 F\n0.142560 0.017356 0.617547 F\n0.857440 0.982644 0.382453 F\n0.543335 0.055377 0.738789 F\n0.928286 0.375128 0.606938 F\n0.364545 0.435741 0.003956 F\n0.411339 0.848645 0.043899 F\n0.864545 0.564259 0.496044 F\n0.588661 0.151355 0.956101 F\n0.924940 0.706433 0.584095 F\n",
            "nsites": 110,
            "nelements": 7,
            "elements": [
                "Mg",
                "H",
                "C",
                "S",
                "N",
                "O",
                "F"
            ],
            "chemical_system": "C-F-H-Mg-N-O-S",
            "density": 1.3637065505574382,
            "density_atomic": 0.061983220937270135,
            "volume": 1774.6738284434275,
            "volume_molar": 9.715759634522195,
            "formula_full": "Mg2 H32 C8 S8 N4 O32 F24",
            "formula_reduced": "MgH16C4S4N2(O4F3)4",
            "formula_anonymous": "AB2C4D4E12F16G16",
            "energy": -585.59986671,
            "energy_per_atom": -5.323635151909091,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -552.52786671,
            "band_gap": 1.5647000000000002,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 8.1385156,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:31.371000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-721086",
            "created_at": "2022-09-04T14:40:24.688612Z",
            "structure_string": "Li2 Cu1 P6 H20 C2 N6 O22\n1.0\n7.627932 0.000000 0.000000\n-2.894884 -8.886093 0.000000\n-3.187426 0.202329 -9.025989\nLi Cu P H C N O\n2 1 6 20 2 6 22\ndirect\n0.173786 0.941032 0.848616 Li\n0.826214 0.058968 0.151384 Li\n0.500000 0.500000 0.500000 Cu\n0.326299 0.201621 0.655451 P\n0.673701 0.798379 0.344549 P\n0.569571 0.003197 0.797104 P\n0.430429 0.996803 0.202896 P\n0.723517 0.820114 0.656076 P\n0.276483 0.179886 0.343924 P\n0.859129 0.709206 0.953496 H\n0.140871 0.290794 0.046504 H\n0.190778 0.274087 0.883902 H\n0.809222 0.725913 0.116098 H\n0.678763 0.509545 0.235344 H\n0.321237 0.490455 0.764656 H\n0.633540 0.331563 0.164618 H\n0.366460 0.668437 0.835382 H\n0.721918 0.308449 0.955788 H\n0.278082 0.691551 0.044212 H\n0.795589 0.464916 0.855699 H\n0.204411 0.535084 0.144301 H\n0.795137 0.228568 0.410590 H\n0.204863 0.771432 0.589410 H\n0.078498 0.803321 0.430745 H\n0.921502 0.196679 0.569255 H\n0.163019 0.597182 0.397133 H\n0.836981 0.402818 0.602867 H\n0.100551 0.424987 0.368980 H\n0.899449 0.575013 0.631020 H\n0.757700 0.508505 0.050721 C\n0.242300 0.491495 0.949279 C\n0.812460 0.658614 0.039053 N\n0.187540 0.341386 0.960947 N\n0.302306 0.554857 0.836240 N\n0.697694 0.445143 0.163760 N\n0.765987 0.421756 0.950128 N\n0.234013 0.578244 0.049872 N\n0.805761 0.864235 0.254292 O\n0.194239 0.135765 0.745708 O\n0.383109 0.370913 0.641742 O\n0.616891 0.629087 0.358258 O\n0.526024 0.156291 0.717958 O\n0.473976 0.843709 0.282042 O\n0.779414 0.878406 0.506954 O\n0.220586 0.121594 0.493046 O\n0.379729 0.883820 0.788423 O\n0.620271 0.116180 0.211577 O\n0.271760 0.949754 0.059153 O\n0.728240 0.050246 0.940847 O\n0.658176 0.962410 0.678659 O\n0.341824 0.037590 0.321341 O\n0.095119 0.187557 0.223356 O\n0.904881 0.812443 0.776644 O\n0.453735 0.317644 0.379205 O\n0.546265 0.682356 0.620795 O\n0.105919 0.722090 0.497414 O\n0.894081 0.277910 0.502586 O\n0.186727 0.519049 0.346836 O\n0.813273 0.480951 0.653164 O\n",
            "nsites": 59,
            "nelements": 7,
            "elements": [
                "Li",
                "Cu",
                "P",
                "H",
                "C",
                "N",
                "O"
            ],
            "chemical_system": "C-Cu-H-Li-N-O-P",
            "density": 2.017923134669542,
            "density_atomic": 0.09643607915131562,
            "volume": 611.804218081331,
            "volume_molar": 6.244696811605953,
            "formula_full": "Li2 Cu1 P6 H20 C2 N6 O22",
            "formula_reduced": "Li2CuP6H20C2(N3O11)2",
            "formula_anonymous": "AB2C2D6E6F20G22",
            "energy": -378.28981228,
            "energy_per_atom": -6.411691733559322,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -361.00981228,
            "band_gap": 0.4524,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 1.0149838,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:54.804000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-560581",
            "created_at": "2022-09-04T14:43:45.342487Z",
            "structure_string": "Li4 Be4 H32 C4 N4 O4 F16\n1.0\n4.920411 0.000000 0.000000\n0.000000 10.132170 0.000000\n0.000000 2.313224 12.466353\nLi Be H C N O F\n4 4 32 4 4 4 16\ndirect\n0.315140 0.853098 0.495860 Li\n0.684860 0.146902 0.504140 Li\n0.815140 0.646902 0.504140 Li\n0.184860 0.353098 0.495860 Li\n0.192631 0.126919 0.368138 Be\n0.692631 0.373081 0.631862 Be\n0.807369 0.873081 0.631862 Be\n0.307369 0.626919 0.368138 Be\n0.756246 0.923820 0.099875 H\n0.935590 0.051767 0.151585 H\n0.243754 0.076180 0.900125 H\n0.385252 0.168334 0.717386 H\n0.572264 0.043761 0.159713 H\n0.956016 0.838841 0.276211 H\n0.778260 0.954703 0.328838 H\n0.900241 0.249485 0.986338 H\n0.427736 0.956239 0.840287 H\n0.885252 0.331666 0.282614 H\n0.456016 0.661159 0.723789 H\n0.278260 0.545297 0.671162 H\n0.736659 0.257578 0.876766 H\n0.256246 0.576180 0.900125 H\n0.543984 0.338841 0.276211 H\n0.564410 0.551767 0.151585 H\n0.263341 0.742422 0.123234 H\n0.927736 0.543761 0.159713 H\n0.114748 0.668334 0.717386 H\n0.599759 0.749485 0.986338 H\n0.743754 0.423820 0.099875 H\n0.435590 0.448233 0.848415 H\n0.236659 0.242422 0.123234 H\n0.043984 0.161159 0.723789 H\n0.221740 0.045297 0.671162 H\n0.721740 0.454703 0.328838 H\n0.064410 0.948233 0.848415 H\n0.400241 0.250515 0.013662 H\n0.763341 0.757578 0.876766 H\n0.099759 0.750515 0.013662 H\n0.614748 0.831666 0.282614 H\n0.072264 0.456239 0.840287 H\n0.759324 0.984961 0.162619 C\n0.240676 0.015039 0.837381 C\n0.740676 0.484961 0.162619 C\n0.259324 0.515039 0.837381 C\n0.721265 0.396156 0.269766 N\n0.278735 0.603844 0.730234 N\n0.778735 0.896156 0.269766 N\n0.221265 0.103844 0.730234 N\n0.714730 0.250222 0.954827 O\n0.285270 0.749778 0.045173 O\n0.785270 0.750222 0.954827 O\n0.214730 0.249778 0.045173 O\n0.693822 0.015482 0.629547 F\n0.743351 0.769974 0.737871 F\n0.256649 0.230026 0.262129 F\n0.683211 0.813002 0.535337 F\n0.756649 0.269974 0.737871 F\n0.624506 0.617941 0.381682 F\n0.183211 0.686998 0.464663 F\n0.875494 0.117941 0.381682 F\n0.306178 0.984518 0.370453 F\n0.375494 0.382059 0.618318 F\n0.124506 0.882059 0.618318 F\n0.243351 0.730026 0.262129 F\n0.316789 0.186998 0.464663 F\n0.806178 0.515482 0.629547 F\n0.816789 0.313002 0.535337 F\n0.193822 0.484518 0.370453 F\n",
            "nsites": 68,
            "nelements": 7,
            "elements": [
                "Li",
                "Be",
                "H",
                "C",
                "N",
                "O",
                "F"
            ],
            "chemical_system": "Be-C-F-H-Li-N-O",
            "density": 1.5178787625642614,
            "density_atomic": 0.1094121730725346,
            "volume": 621.5030566564062,
            "volume_molar": 5.504086602875197,
            "formula_full": "Li4 Be4 H32 C4 N4 O4 F16",
            "formula_reduced": "LiBeH8CNOF4",
            "formula_anonymous": "ABCDEF4G8",
            "energy": -361.25025887,
            "energy_per_atom": -5.3125038069117645,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -349.66625887,
            "band_gap": 6.277200000000001,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0004067,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:16.191000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-1225035",
            "created_at": "2022-09-04T14:47:01.629039Z",
            "structure_string": "La2 P4 H88 C28 N14 Cl8 O4\n1.0\n5.547991 9.012153 0.000000\n-5.547991 9.012153 0.000000\n0.000000 2.645126 16.130042\nLa P H C N Cl O\n2 4 88 28 14 8 4\ndirect\n0.256109 0.749017 0.751783 La\n0.749017 0.256109 0.251783 La\n0.870436 0.850301 0.854127 P\n0.147930 0.130099 0.645730 P\n0.130099 0.147930 0.145730 P\n0.850301 0.870436 0.354127 P\n0.558828 0.185970 0.846021 H\n0.812483 0.442224 0.653376 H\n0.442224 0.812483 0.153376 H\n0.185970 0.558828 0.346021 H\n0.820602 0.138195 0.929988 H\n0.861274 0.180051 0.569458 H\n0.180051 0.861274 0.069458 H\n0.138195 0.820602 0.429988 H\n0.776340 0.221129 0.828129 H\n0.776945 0.225332 0.670812 H\n0.225332 0.776945 0.170812 H\n0.221129 0.776340 0.328129 H\n0.916962 0.593353 0.753227 H\n0.405836 0.081611 0.747181 H\n0.081611 0.405836 0.247181 H\n0.593353 0.916962 0.253227 H\n0.696478 0.981997 0.722787 H\n0.017491 0.303488 0.777270 H\n0.303488 0.017491 0.277270 H\n0.981997 0.696478 0.222787 H\n0.572653 0.010810 0.868678 H\n0.987923 0.428122 0.631043 H\n0.428122 0.987923 0.131043 H\n0.010810 0.572653 0.368678 H\n0.336660 0.470807 0.085932 H\n0.586718 0.569812 0.448076 H\n0.569812 0.586718 0.948076 H\n0.470807 0.336660 0.585933 H\n0.740801 0.622001 0.792887 H\n0.377667 0.257637 0.707886 H\n0.257637 0.377667 0.207886 H\n0.622001 0.740801 0.292887 H\n0.872419 0.586106 0.862626 H\n0.413635 0.126195 0.637869 H\n0.126195 0.413635 0.137869 H\n0.586106 0.872419 0.362626 H\n0.441942 0.563462 0.088540 H\n0.441895 0.633661 0.385356 H\n0.633661 0.441895 0.885356 H\n0.563462 0.441942 0.588540 H\n0.768368 0.676911 0.038301 H\n0.322465 0.231271 0.461702 H\n0.231271 0.322465 0.961702 H\n0.676911 0.768368 0.538301 H\n0.093020 0.707795 0.956630 H\n0.291814 0.907577 0.543804 H\n0.907577 0.291814 0.043804 H\n0.707795 0.093020 0.456630 H\n0.943793 0.072094 0.841773 H\n0.926129 0.057340 0.658218 H\n0.057340 0.926129 0.158218 H\n0.072094 0.943793 0.341773 H\n0.649792 0.844072 0.708097 H\n0.155497 0.349983 0.791795 H\n0.349983 0.155497 0.291795 H\n0.844072 0.649792 0.208097 H\n0.320762 0.615421 0.008883 H\n0.419240 0.710341 0.481227 H\n0.710341 0.419240 0.981227 H\n0.615421 0.320762 0.508883 H\n0.596799 0.097595 0.947288 H\n0.900417 0.403940 0.552463 H\n0.403940 0.900417 0.052463 H\n0.097595 0.596799 0.447288 H\n0.972732 0.824702 0.031102 H\n0.175045 0.027316 0.468971 H\n0.027316 0.175045 0.968971 H\n0.824702 0.972732 0.531102 H\n0.701773 0.865051 0.034515 H\n0.134256 0.298498 0.465458 H\n0.298498 0.134256 0.965458 H\n0.865051 0.701773 0.534515 H\n0.008220 0.641775 0.041851 H\n0.357964 0.992082 0.458332 H\n0.992082 0.357964 0.958332 H\n0.641775 0.008220 0.541851 H\n0.666989 0.786338 0.955608 H\n0.212708 0.333146 0.544538 H\n0.333146 0.212708 0.044538 H\n0.786338 0.666989 0.455608 H\n0.822209 0.830757 0.671001 H\n0.168865 0.177513 0.829079 H\n0.177513 0.168865 0.329079 H\n0.830757 0.822209 0.171001 H\n0.454635 0.410209 0.947076 H\n0.410209 0.454635 0.447076 H\n0.558603 0.327711 0.029408 H\n0.327711 0.558603 0.529408 H\n0.746768 0.773742 0.996343 C\n0.225507 0.253391 0.503669 C\n0.253391 0.225507 0.003669 C\n0.773742 0.746768 0.496343 C\n0.994275 0.733366 0.996620 C\n0.266257 0.005998 0.503493 C\n0.005998 0.266257 0.003493 C\n0.733367 0.994275 0.496620 C\n0.616378 0.082233 0.880400 C\n0.916355 0.384637 0.619199 C\n0.384637 0.916355 0.119199 C\n0.082233 0.616378 0.380400 C\n0.736075 0.867205 0.721203 C\n0.132275 0.263624 0.778909 C\n0.263624 0.132275 0.278909 C\n0.867205 0.736075 0.221203 C\n0.832170 0.639570 0.802889 C\n0.359839 0.166503 0.697560 C\n0.166503 0.359839 0.197560 C\n0.639570 0.832170 0.302889 C\n0.831170 0.118463 0.864175 C\n0.880068 0.169751 0.635367 C\n0.169751 0.880068 0.135367 C\n0.118463 0.831170 0.364175 C\n0.392831 0.526858 0.048186 C\n0.471243 0.613070 0.449181 C\n0.613070 0.471243 0.949181 C\n0.526858 0.392831 0.548186 C\n0.878192 0.760971 0.946968 N\n0.238288 0.122206 0.553098 N\n0.122206 0.238288 0.053098 N\n0.760971 0.878192 0.446968 N\n0.768142 0.024791 0.852843 N\n0.973835 0.232729 0.646992 N\n0.232729 0.973835 0.146992 N\n0.024791 0.768142 0.352843 N\n0.786814 0.792955 0.801459 N\n0.206426 0.212456 0.698710 N\n0.212456 0.206426 0.198710 N\n0.792955 0.786814 0.301459 N\n0.505931 0.423964 0.993188 N\n0.423964 0.505931 0.493188 N\n0.337357 0.475310 0.839430 Cl\n0.519459 0.667720 0.664539 Cl\n0.667720 0.519459 0.164539 Cl\n0.475310 0.337357 0.339430 Cl\n0.165764 0.663222 0.617792 Cl\n0.329663 0.845570 0.878292 Cl\n0.845570 0.329663 0.378292 Cl\n0.663222 0.165764 0.117792 Cl\n0.019832 0.826528 0.820776 O\n0.170931 0.980576 0.678220 O\n0.980576 0.170931 0.178220 O\n0.826528 0.019832 0.320776 O\n",
            "nsites": 148,
            "nelements": 7,
            "elements": [
                "La",
                "P",
                "H",
                "C",
                "N",
                "Cl",
                "O"
            ],
            "chemical_system": "C-Cl-H-La-N-O-P",
            "density": 1.4108241823424266,
            "density_atomic": 0.09175546013520161,
            "volume": 1612.9830288238115,
            "volume_molar": 6.563250569640629,
            "formula_full": "La2 P4 H88 C28 N14 Cl8 O4",
            "formula_reduced": "LaP2H44C14N7(Cl2O)2",
            "formula_anonymous": "AB2C2D4E7F14G44",
            "energy": -809.4292381500001,
            "energy_per_atom": -5.469116473986487,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -796.71523815,
            "band_gap": 3.7069,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0561759,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:48.162000Z",
            "spacegroup": 9
        },
        {
            "id": "mp-698252",
            "created_at": "2022-09-04T14:44:58.017434Z",
            "structure_string": "K4 V8 H8 C32 N8 O20 F20\n1.0\n8.573840 0.000000 0.000000\n0.000000 11.826234 0.000000\n0.000000 0.000000 17.085887\nK V H C N O F\n4 8 8 32 8 20 20\ndirect\n0.181363 0.498409 0.250000 K\n0.318637 0.998409 0.250000 K\n0.818637 0.501591 0.750000 K\n0.681363 0.001591 0.750000 K\n0.023194 0.785568 0.338107 V\n0.476806 0.285568 0.161893 V\n0.976806 0.214432 0.838107 V\n0.523194 0.714432 0.661893 V\n0.976806 0.214432 0.661893 V\n0.523194 0.714432 0.838107 V\n0.023194 0.785568 0.161893 V\n0.476806 0.285568 0.338107 V\n0.680770 0.064093 0.250000 H\n0.819230 0.564093 0.250000 H\n0.319230 0.935907 0.750000 H\n0.180770 0.435907 0.750000 H\n0.762395 0.948191 0.250000 H\n0.737605 0.448191 0.250000 H\n0.237605 0.051809 0.750000 H\n0.262395 0.551809 0.750000 H\n0.408955 0.638025 0.122189 C\n0.091045 0.138025 0.377811 C\n0.591045 0.361975 0.622189 C\n0.908955 0.861975 0.877811 C\n0.591045 0.361975 0.877811 C\n0.908955 0.861975 0.622189 C\n0.408955 0.638025 0.377811 C\n0.091045 0.138025 0.122189 C\n0.518068 0.687775 0.082172 C\n0.981932 0.187775 0.417828 C\n0.481932 0.312225 0.582172 C\n0.018068 0.812225 0.917828 C\n0.481932 0.312225 0.917828 C\n0.018068 0.812225 0.582172 C\n0.518068 0.687775 0.417828 C\n0.981932 0.187775 0.082172 C\n0.691600 0.670579 0.068930 C\n0.808400 0.170579 0.431070 C\n0.308400 0.329421 0.568930 C\n0.191600 0.829421 0.931070 C\n0.308400 0.329421 0.931070 C\n0.191600 0.829421 0.568930 C\n0.691600 0.670579 0.431070 C\n0.808400 0.170579 0.068930 C\n0.573477 0.809665 0.070570 C\n0.926523 0.309665 0.429430 C\n0.426523 0.190335 0.570570 C\n0.073477 0.690335 0.929430 C\n0.426523 0.190335 0.929430 C\n0.073477 0.690335 0.570570 C\n0.573477 0.809665 0.429430 C\n0.926523 0.309665 0.070570 C\n0.719967 0.779134 0.095478 N\n0.780033 0.279134 0.404522 N\n0.280033 0.220866 0.595478 N\n0.219967 0.720866 0.904522 N\n0.280033 0.220866 0.904522 N\n0.219967 0.720866 0.595478 N\n0.719967 0.779134 0.404522 N\n0.780033 0.279134 0.095478 N\n0.845679 0.840787 0.109171 O\n0.654321 0.340787 0.390829 O\n0.154321 0.159213 0.609171 O\n0.345679 0.659213 0.890829 O\n0.154321 0.159213 0.890829 O\n0.345679 0.659213 0.609171 O\n0.845679 0.840787 0.390829 O\n0.654321 0.340787 0.109171 O\n0.041969 0.662624 0.123362 O\n0.458031 0.162624 0.376638 O\n0.958031 0.337376 0.623362 O\n0.541969 0.837376 0.876638 O\n0.958031 0.337376 0.876638 O\n0.541969 0.837376 0.623362 O\n0.041969 0.662624 0.376638 O\n0.458031 0.162624 0.123362 O\n0.658943 0.983145 0.250000 O\n0.841057 0.483145 0.250000 O\n0.341057 0.016855 0.750000 O\n0.158943 0.516855 0.750000 O\n0.887150 0.720561 0.250000 F\n0.612850 0.220561 0.250000 F\n0.112850 0.279439 0.750000 F\n0.387150 0.779439 0.750000 F\n0.171975 0.753436 0.250000 F\n0.328025 0.253436 0.250000 F\n0.828025 0.246564 0.750000 F\n0.671975 0.746564 0.750000 F\n0.986628 0.909546 0.250000 F\n0.513372 0.409546 0.250000 F\n0.013372 0.090454 0.750000 F\n0.486628 0.590454 0.750000 F\n0.167984 0.872770 0.118358 F\n0.332016 0.372770 0.381642 F\n0.832016 0.127230 0.618358 F\n0.667984 0.627230 0.881642 F\n0.832016 0.127230 0.881642 F\n0.667984 0.627230 0.618358 F\n0.167984 0.872770 0.381642 F\n0.332016 0.372770 0.118358 F\n",
            "nsites": 100,
            "nelements": 7,
            "elements": [
                "K",
                "V",
                "H",
                "C",
                "N",
                "O",
                "F"
            ],
            "chemical_system": "C-F-H-K-N-O-V",
            "density": 1.6949453055002972,
            "density_atomic": 0.05772190126533541,
            "volume": 1732.4446667188088,
            "volume_molar": 10.433025641891955,
            "formula_full": "K4 V8 H8 C32 N8 O20 F20",
            "formula_reduced": "KV2H2C8N2(OF)5",
            "formula_anonymous": "AB2C2D2E5F5G8",
            "energy": -650.64347648,
            "energy_per_atom": -6.5064347648,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -609.74347648,
            "band_gap": 0.3880999999999999,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.3298189,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:48.666000Z",
            "spacegroup": 62
        },
        {
            "id": "mp-1198363",
            "created_at": "2022-09-04T14:48:25.936841Z",
            "structure_string": "K8 U4 H16 C16 S4 N4 O40\n1.0\n15.120840 0.000000 0.000000\n0.000000 8.116682 0.000000\n0.000000 6.541349 11.195409\nK U H C S N O\n8 4 16 16 4 4 40\ndirect\n0.191560 0.710792 0.243132 K\n0.308440 0.710792 0.743132 K\n0.808440 0.289208 0.756868 K\n0.691560 0.289208 0.256868 K\n0.124061 0.311311 0.112444 K\n0.375939 0.311311 0.612444 K\n0.875939 0.688689 0.887556 K\n0.624061 0.688689 0.387556 K\n0.418698 0.122535 0.181455 U\n0.081302 0.122535 0.681455 U\n0.581302 0.877465 0.818545 U\n0.918698 0.877465 0.318545 U\n0.256236 0.276889 0.325005 H\n0.243764 0.276889 0.825005 H\n0.743764 0.723111 0.674995 H\n0.756236 0.723111 0.174995 H\n0.158451 0.289171 0.363489 H\n0.341549 0.289171 0.863489 H\n0.841549 0.710829 0.636511 H\n0.658451 0.710829 0.136511 H\n0.100197 0.619982 0.851276 H\n0.399803 0.619982 0.351276 H\n0.899803 0.380018 0.148724 H\n0.600197 0.380018 0.648724 H\n0.110401 0.442687 0.834504 H\n0.389599 0.442687 0.334504 H\n0.889599 0.557313 0.165496 H\n0.610401 0.557313 0.665496 H\n0.333639 0.597279 0.037499 C\n0.166361 0.597279 0.537499 C\n0.666361 0.402721 0.962501 C\n0.833639 0.402721 0.462501 C\n0.423452 0.827301 0.472831 C\n0.076548 0.827301 0.972831 C\n0.576548 0.172699 0.527169 C\n0.923452 0.172699 0.027169 C\n0.388764 0.019188 0.458620 C\n0.111236 0.019188 0.958620 C\n0.611236 0.980812 0.541380 C\n0.888764 0.980812 0.041380 C\n0.516218 0.905291 0.053249 C\n0.983782 0.905291 0.553249 C\n0.483782 0.094709 0.946751 C\n0.016218 0.094709 0.446751 C\n0.305215 0.816727 0.980033 S\n0.194785 0.816727 0.480033 S\n0.694785 0.183273 0.019967 S\n0.805215 0.183273 0.519967 S\n0.353795 0.433652 0.079195 N\n0.146205 0.433652 0.579195 N\n0.646205 0.566348 0.920805 N\n0.853795 0.566348 0.420805 N\n0.311291 0.023331 0.179633 O\n0.188709 0.023331 0.679633 O\n0.688709 0.976669 0.820367 O\n0.811291 0.976669 0.320367 O\n0.526282 0.218271 0.184255 O\n0.973718 0.218271 0.684255 O\n0.473718 0.781729 0.815745 O\n0.026282 0.781729 0.315745 O\n0.445788 0.840134 0.372134 O\n0.054212 0.840134 0.872134 O\n0.554212 0.159866 0.627866 O\n0.945788 0.159866 0.127866 O\n0.376239 0.152353 0.347928 O\n0.123761 0.152353 0.847928 O\n0.623761 0.847647 0.652072 O\n0.876239 0.847647 0.152072 O\n0.427458 0.681133 0.572685 O\n0.072542 0.681133 0.072685 O\n0.572542 0.318867 0.427315 O\n0.927458 0.318867 0.927315 O\n0.375200 0.035345 0.547240 O\n0.124800 0.035345 0.047240 O\n0.624800 0.964655 0.452760 O\n0.875200 0.964655 0.952760 O\n0.498250 0.873648 0.156791 O\n0.001750 0.873648 0.656791 O\n0.501750 0.126352 0.843209 O\n0.998250 0.126352 0.343209 O\n0.440311 0.203794 0.972384 O\n0.059689 0.203794 0.472384 O\n0.559689 0.796206 0.027616 O\n0.940311 0.796206 0.527616 O\n0.198317 0.335942 0.294454 O\n0.301683 0.335942 0.794454 O\n0.801683 0.664058 0.705546 O\n0.698317 0.664058 0.205546 O\n0.142137 0.522265 0.859069 O\n0.357863 0.522265 0.359069 O\n0.857863 0.477735 0.140931 O\n0.642137 0.477735 0.640931 O\n",
            "nsites": 92,
            "nelements": 7,
            "elements": [
                "K",
                "U",
                "H",
                "C",
                "S",
                "N",
                "O"
            ],
            "chemical_system": "C-H-K-N-O-S-U",
            "density": 2.7765354645670346,
            "density_atomic": 0.06695660330981401,
            "volume": 1374.0243001023814,
            "volume_molar": 8.994095372692417,
            "formula_full": "K8 U4 H16 C16 S4 N4 O40",
            "formula_reduced": "K2UH4C4SNO10",
            "formula_anonymous": "ABCD2E4F4G10",
            "energy": -664.2128482300001,
            "energy_per_atom": -7.219704872065218,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -633.27684823,
            "band_gap": 1.6629,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0029959,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:39:42.124000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-605461",
            "created_at": "2022-09-04T14:41:51.169902Z",
            "structure_string": "K12 U4 H24 C20 S4 N4 O52\n1.0\n12.266113 0.000000 0.000000\n0.000000 10.919513 0.000000\n0.000000 5.812256 13.095458\nK U H C S N O\n12 4 24 20 4 4 52\ndirect\n0.400505 0.135625 0.082684 K\n0.108400 0.127610 0.896376 K\n0.077018 0.480962 0.656054 K\n0.599495 0.864375 0.917316 K\n0.099495 0.135625 0.582684 K\n0.422982 0.480962 0.156054 K\n0.577018 0.519038 0.843946 K\n0.391600 0.127610 0.396376 K\n0.891600 0.872390 0.103624 K\n0.922982 0.519038 0.343946 K\n0.900505 0.864375 0.417316 K\n0.608400 0.872390 0.603624 K\n0.106154 0.770574 0.813743 U\n0.606154 0.229426 0.686257 U\n0.393846 0.770574 0.313743 U\n0.893846 0.229426 0.186257 U\n0.339475 0.323343 0.514745 H\n0.351396 0.559186 0.940102 H\n0.319251 0.420258 0.947867 H\n0.146835 0.434931 0.905384 H\n0.352036 0.771060 0.966295 H\n0.863812 0.189503 0.441178 H\n0.147964 0.771060 0.466295 H\n0.636188 0.189503 0.941178 H\n0.160525 0.323343 0.014745 H\n0.648604 0.440814 0.059898 H\n0.819251 0.579742 0.552133 H\n0.180749 0.420258 0.447867 H\n0.680749 0.579742 0.052133 H\n0.853165 0.565069 0.094616 H\n0.851396 0.440814 0.559898 H\n0.660525 0.676657 0.485255 H\n0.353165 0.434931 0.405384 H\n0.852036 0.228940 0.533705 H\n0.363812 0.810497 0.058822 H\n0.136188 0.810497 0.558822 H\n0.647964 0.228940 0.033705 H\n0.148604 0.559186 0.440102 H\n0.646835 0.565069 0.594616 H\n0.839475 0.676657 0.985255 H\n0.175470 0.873176 0.166863 C\n0.131744 0.596828 0.083220 C\n0.824530 0.126824 0.833137 C\n0.368256 0.596828 0.583220 C\n0.159878 0.210430 0.219197 C\n0.340122 0.210430 0.719197 C\n0.388644 0.143788 0.829638 C\n0.659878 0.789570 0.280803 C\n0.675470 0.126824 0.333137 C\n0.111356 0.143788 0.329638 C\n0.631744 0.403172 0.416780 C\n0.324530 0.873176 0.666863 C\n0.868256 0.403172 0.916780 C\n0.626434 0.208914 0.225327 C\n0.611356 0.856212 0.170362 C\n0.840122 0.789570 0.780803 C\n0.873566 0.208914 0.725327 C\n0.373566 0.791086 0.774673 C\n0.126434 0.791086 0.274673 C\n0.888644 0.856212 0.670362 C\n0.653894 0.465427 0.295738 S\n0.153894 0.534573 0.204262 S\n0.346106 0.534573 0.704262 S\n0.846106 0.465427 0.795738 S\n0.615790 0.356990 0.506375 N\n0.884210 0.356990 0.006375 N\n0.384210 0.643010 0.493625 N\n0.115790 0.643010 0.993625 N\n0.394103 0.611788 0.298057 O\n0.973665 0.227404 0.713857 O\n0.526335 0.227404 0.213857 O\n0.413805 0.247536 0.648069 O\n0.492452 0.121231 0.831111 O\n0.389882 0.927683 0.329433 O\n0.105897 0.611788 0.798057 O\n0.992452 0.878769 0.668889 O\n0.810829 0.646349 0.055507 O\n0.086195 0.247536 0.148069 O\n0.801459 0.250948 0.652555 O\n0.198541 0.749052 0.347445 O\n0.507548 0.878769 0.168889 O\n0.189171 0.353651 0.944493 O\n0.260250 0.221166 0.205655 O\n0.218845 0.875942 0.665756 O\n0.119047 0.468151 0.463105 O\n0.689171 0.646349 0.555507 O\n0.897264 0.243791 0.473526 O\n0.698541 0.250948 0.152555 O\n0.385533 0.929934 0.592725 O\n0.781155 0.124058 0.334244 O\n0.397264 0.756209 0.026474 O\n0.670286 0.883885 0.094070 O\n0.114467 0.929934 0.092725 O\n0.102736 0.756209 0.526474 O\n0.619047 0.531849 0.036895 O\n0.310829 0.353651 0.444493 O\n0.610118 0.072317 0.670567 O\n0.829714 0.883885 0.594070 O\n0.110118 0.927683 0.829433 O\n0.605897 0.388212 0.701943 O\n0.239750 0.221166 0.705655 O\n0.913805 0.752464 0.851931 O\n0.889882 0.072317 0.170567 O\n0.329714 0.116115 0.905930 O\n0.880953 0.531849 0.536895 O\n0.007548 0.121231 0.331111 O\n0.026335 0.772596 0.286143 O\n0.586195 0.752464 0.351931 O\n0.885533 0.070066 0.907275 O\n0.602736 0.243791 0.973526 O\n0.281155 0.875942 0.165756 O\n0.760250 0.778834 0.294345 O\n0.614467 0.070066 0.407275 O\n0.380953 0.468151 0.963105 O\n0.739750 0.778834 0.794345 O\n0.170286 0.116115 0.405930 O\n0.473665 0.772596 0.786143 O\n0.894103 0.388212 0.201943 O\n0.718845 0.124058 0.834244 O\n0.301459 0.749052 0.847445 O\n",
            "nsites": 120,
            "nelements": 7,
            "elements": [
                "K",
                "U",
                "H",
                "C",
                "S",
                "N",
                "O"
            ],
            "chemical_system": "C-H-K-N-O-S-U",
            "density": 2.5579753233560094,
            "density_atomic": 0.06841484117693371,
            "volume": 1754.0053873640854,
            "volume_molar": 8.802389447087373,
            "formula_full": "K12 U4 H24 C20 S4 N4 O52",
            "formula_reduced": "K3UH6C5SNO13",
            "formula_anonymous": "ABCD3E5F6G13",
            "energy": -838.3985846200001,
            "energy_per_atom": -6.986654871833334,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -799.21858462,
            "band_gap": 1.6805,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0010647,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:31.843000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-1212071",
            "created_at": "2022-09-04T14:44:22.873431Z",
            "structure_string": "K8 U4 C8 Se4 S4 N4 O32\n1.0\n0.000000 -7.304822 0.000000\n-11.773836 0.000000 0.757036\n-0.001988 0.000000 -14.534947\nK U C Se S N O\n8 4 8 4 4 4 32\ndirect\n0.848824 0.544297 0.645571 K\n0.151176 0.455703 0.354429 K\n0.348824 0.455703 0.854429 K\n0.651176 0.544297 0.145571 K\n0.568421 0.836684 0.862009 K\n0.431579 0.163316 0.137991 K\n0.068421 0.163316 0.637991 K\n0.931579 0.836684 0.362009 K\n0.852863 0.250705 0.959629 U\n0.147137 0.749295 0.040371 U\n0.352863 0.749295 0.540371 U\n0.647137 0.250705 0.459629 U\n0.953048 0.852183 0.643292 C\n0.046952 0.147817 0.356708 C\n0.453048 0.147817 0.856708 C\n0.546952 0.852183 0.143292 C\n0.912177 0.974217 0.979252 C\n0.087823 0.025783 0.020748 C\n0.412177 0.025783 0.520748 C\n0.587823 0.974217 0.479252 C\n0.826528 0.553844 0.900337 Se\n0.173472 0.446156 0.099663 Se\n0.326528 0.446156 0.599663 Se\n0.673472 0.553844 0.400337 Se\n0.828180 0.945044 0.699508 S\n0.171820 0.054956 0.300492 S\n0.328180 0.054956 0.800492 S\n0.671820 0.945044 0.199508 S\n0.546682 0.215621 0.899337 N\n0.453318 0.784379 0.100663 N\n0.046682 0.784379 0.600663 N\n0.953318 0.215621 0.399337 N\n0.446948 0.761248 0.655608 O\n0.553052 0.238752 0.344392 O\n0.946948 0.238752 0.844392 O\n0.053052 0.761248 0.155608 O\n0.655525 0.618762 0.851000 O\n0.344475 0.381238 0.149000 O\n0.155525 0.381238 0.649000 O\n0.844475 0.618762 0.351000 O\n0.241552 0.739676 0.924356 O\n0.758448 0.260324 0.075644 O\n0.741552 0.260324 0.575644 O\n0.258448 0.739676 0.424356 O\n0.734293 0.435062 0.943421 O\n0.265707 0.564938 0.056579 O\n0.234293 0.564938 0.556579 O\n0.765707 0.435062 0.443421 O\n0.897985 0.867225 0.975914 O\n0.102015 0.132775 0.024086 O\n0.397985 0.132775 0.524086 O\n0.602015 0.867225 0.475914 O\n0.896266 0.630436 0.997294 O\n0.103734 0.369564 0.002706 O\n0.396266 0.369564 0.502706 O\n0.603734 0.630436 0.497294 O\n0.294645 0.956643 0.548932 O\n0.705355 0.043357 0.451068 O\n0.794645 0.043357 0.951068 O\n0.205355 0.956643 0.048932 O\n0.995789 0.523674 0.827989 O\n0.004211 0.476326 0.172011 O\n0.495789 0.476326 0.672011 O\n0.504211 0.523674 0.327989 O\n",
            "nsites": 64,
            "nelements": 7,
            "elements": [
                "K",
                "U",
                "C",
                "Se",
                "S",
                "N",
                "O"
            ],
            "chemical_system": "C-K-N-O-S-Se-U",
            "density": 3.1522407135857833,
            "density_atomic": 0.0511958882342752,
            "volume": 1250.1003929677415,
            "volume_molar": 11.762938329036022,
            "formula_full": "K8 U4 C8 Se4 S4 N4 O32",
            "formula_reduced": "K2UC2SeSNO8",
            "formula_anonymous": "ABCDE2F2G8",
            "energy": -469.70966496,
            "energy_per_atom": -7.339213515,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -444.26966496,
            "band_gap": 1.4163,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0006066,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:20.493000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-1223701",
            "created_at": "2022-09-04T14:41:51.457790Z",
            "structure_string": "K1 Rb1 Mn2 Ga4 P6 H8 O28\n1.0\n6.530511 5.177933 -2.167640\n6.530511 -5.177933 -2.167640\n-0.004582 0.000000 -8.980993\nK Rb Mn Ga P H O\n1 1 2 4 6 8 28\ndirect\n0.360376 0.639624 0.250000 K\n0.639363 0.360637 0.750000 Rb\n0.717448 0.282552 0.250000 Mn\n0.282451 0.717549 0.750000 Mn\n0.754911 0.904034 0.071531 Ga\n0.095966 0.245089 0.428469 Ga\n0.245181 0.095799 0.928705 Ga\n0.904201 0.754819 0.571295 Ga\n0.000400 0.999600 0.750000 P\n0.000556 0.999444 0.250000 P\n0.836493 0.583249 0.324588 P\n0.416751 0.163507 0.175412 P\n0.162588 0.417045 0.675194 P\n0.582955 0.837412 0.824806 P\n0.466535 0.219535 0.503549 H\n0.780465 0.533465 0.996451 H\n0.533205 0.780155 0.495894 H\n0.219845 0.466795 0.004106 H\n0.620589 0.077979 0.548575 H\n0.922021 0.379411 0.951425 H\n0.379224 0.921557 0.451108 H\n0.078443 0.620776 0.048892 H\n0.774269 0.680206 0.460961 O\n0.319794 0.225731 0.039039 O\n0.225444 0.320385 0.538609 O\n0.679615 0.774556 0.961391 O\n0.700035 0.502139 0.323150 O\n0.497861 0.299965 0.176850 O\n0.298062 0.499376 0.676273 O\n0.500624 0.701938 0.823727 O\n0.587447 0.192667 0.492014 O\n0.807333 0.412553 0.007986 O\n0.412387 0.806364 0.506549 O\n0.193636 0.587613 0.993451 O\n0.005486 0.461591 0.338860 O\n0.538409 0.994514 0.161140 O\n0.993164 0.538001 0.661361 O\n0.461999 0.006836 0.838639 O\n0.849778 0.031504 0.884069 O\n0.968496 0.150222 0.615931 O\n0.151643 0.967026 0.116230 O\n0.032974 0.848357 0.383770 O\n0.881076 0.702880 0.163982 O\n0.297120 0.118924 0.336018 O\n0.118962 0.296970 0.835809 O\n0.703030 0.881038 0.664191 O\n0.024801 0.834173 0.696847 O\n0.165827 0.975199 0.803153 O\n0.975737 0.164978 0.303191 O\n0.835022 0.024263 0.196809 O\n",
            "nsites": 50,
            "nelements": 7,
            "elements": [
                "K",
                "Rb",
                "Mn",
                "Ga",
                "P",
                "H",
                "O"
            ],
            "chemical_system": "Ga-H-K-Mn-O-P-Rb",
            "density": 3.157792733735995,
            "density_atomic": 0.08230733116293733,
            "volume": 607.4793009752551,
            "volume_molar": 7.316651718518784,
            "formula_full": "K1 Rb1 Mn2 Ga4 P6 H8 O28",
            "formula_reduced": "KRbMn2Ga4P6(H2O7)4",
            "formula_anonymous": "ABC2D4E6F8G28",
            "energy": -344.95148328,
            "energy_per_atom": -6.8990296656,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -322.37948328,
            "band_gap": 3.3545,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 10.0014863,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:27.145000Z",
            "spacegroup": 5
        }
    ]
}