GET /third-parties/MatprojStructure/?format=api&ordering=-formula_full&page=10222
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=-formula_full&page=10223",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_full&page=10221",
    "results": [
        {
            "id": "mp-1204398",
            "created_at": "2022-09-04T14:42:07.522873Z",
            "structure_string": "Co4 Mo4 H96 N24 Cl4 O28\n1.0\n8.537980 0.000000 0.000000\n0.000000 8.846672 0.000000\n0.000000 0.000000 18.699070\nCo Mo H N Cl O\n4 4 96 24 4 28\ndirect\n0.178535 0.750000 0.332416 Co\n0.321465 0.750000 0.832416 Co\n0.821465 0.250000 0.667584 Co\n0.678535 0.250000 0.167584 Co\n0.392172 0.750000 0.098821 Mo\n0.107828 0.750000 0.598821 Mo\n0.607828 0.250000 0.901179 Mo\n0.892172 0.250000 0.401179 Mo\n0.138476 0.501444 0.396719 H\n0.361524 0.998556 0.896719 H\n0.861524 0.001444 0.603281 H\n0.638476 0.498556 0.103281 H\n0.861524 0.498556 0.603281 H\n0.638476 0.001444 0.103281 H\n0.138476 0.998556 0.396719 H\n0.361524 0.501444 0.896719 H\n0.189458 0.632017 0.455710 H\n0.310542 0.867983 0.955710 H\n0.810542 0.132017 0.544290 H\n0.689458 0.367983 0.044290 H\n0.810542 0.367983 0.544290 H\n0.689458 0.132017 0.044290 H\n0.189458 0.867983 0.455710 H\n0.310542 0.632017 0.955710 H\n0.326612 0.551593 0.406102 H\n0.173388 0.948407 0.906102 H\n0.673388 0.051593 0.593898 H\n0.826612 0.448407 0.093898 H\n0.673388 0.448407 0.593898 H\n0.826612 0.051593 0.093898 H\n0.326612 0.948407 0.406102 H\n0.173388 0.551593 0.906102 H\n0.424923 0.750000 0.252836 H\n0.075077 0.750000 0.752836 H\n0.575077 0.250000 0.747164 H\n0.924923 0.250000 0.247164 H\n0.462053 0.657495 0.328446 H\n0.037947 0.842505 0.828446 H\n0.537947 0.157495 0.671554 H\n0.962053 0.342505 0.171554 H\n0.537947 0.342505 0.671554 H\n0.962053 0.157495 0.171554 H\n0.462053 0.842505 0.328446 H\n0.037947 0.657495 0.828446 H\n0.885633 0.750000 0.310251 H\n0.614367 0.750000 0.810251 H\n0.114367 0.250000 0.689749 H\n0.385633 0.250000 0.189749 H\n0.918969 0.844657 0.384806 H\n0.581031 0.655343 0.884806 H\n0.081031 0.344657 0.615194 H\n0.418969 0.155343 0.115194 H\n0.081031 0.155343 0.615194 H\n0.418969 0.344657 0.115194 H\n0.918969 0.655343 0.384806 H\n0.581031 0.844657 0.884806 H\n0.043291 0.626780 0.228778 H\n0.456709 0.873220 0.728778 H\n0.956709 0.126780 0.771222 H\n0.543291 0.373220 0.271222 H\n0.956709 0.373220 0.771222 H\n0.543291 0.126780 0.271222 H\n0.043291 0.873220 0.228778 H\n0.456709 0.626780 0.728778 H\n0.108021 0.492815 0.283384 H\n0.391979 0.007185 0.783384 H\n0.891979 0.992815 0.716616 H\n0.608021 0.507185 0.216616 H\n0.891979 0.507185 0.716616 H\n0.608021 0.992815 0.216616 H\n0.108021 0.007185 0.283384 H\n0.391979 0.492815 0.783384 H\n0.231502 0.573936 0.225441 H\n0.268498 0.926064 0.725441 H\n0.768498 0.073936 0.774559 H\n0.731502 0.426064 0.274559 H\n0.768498 0.426064 0.774559 H\n0.731502 0.073936 0.274559 H\n0.231502 0.926064 0.225441 H\n0.268498 0.573936 0.725441 H\n0.711642 0.750000 0.012538 H\n0.788358 0.750000 0.512538 H\n0.288358 0.250000 0.987462 H\n0.211642 0.250000 0.487462 H\n0.869089 0.750000 0.055280 H\n0.630911 0.750000 0.555280 H\n0.130911 0.250000 0.944720 H\n0.369089 0.250000 0.444720 H\n0.589415 0.437618 0.418542 H\n0.910585 0.062382 0.918542 H\n0.410585 0.937618 0.581458 H\n0.089415 0.562382 0.081458 H\n0.410585 0.562382 0.581458 H\n0.089415 0.937618 0.081458 H\n0.589415 0.062382 0.418542 H\n0.910585 0.437618 0.918542 H\n0.589534 0.605667 0.447787 H\n0.910466 0.894333 0.947787 H\n0.410466 0.105667 0.552213 H\n0.089534 0.394333 0.052213 H\n0.410466 0.394333 0.552213 H\n0.089534 0.105667 0.052213 H\n0.589534 0.894333 0.447787 H\n0.910466 0.605667 0.947787 H\n0.212193 0.591257 0.405440 N\n0.287807 0.908743 0.905440 N\n0.787807 0.091257 0.594560 N\n0.712193 0.408743 0.094560 N\n0.787807 0.408743 0.594560 N\n0.712193 0.091257 0.094560 N\n0.212193 0.908743 0.405440 N\n0.287807 0.591257 0.905440 N\n0.405588 0.750000 0.307042 N\n0.094412 0.750000 0.807042 N\n0.594412 0.250000 0.692958 N\n0.905588 0.250000 0.192958 N\n0.950748 0.750000 0.356762 N\n0.549252 0.750000 0.856762 N\n0.049252 0.250000 0.643238 N\n0.450748 0.250000 0.143238 N\n0.138349 0.593029 0.259337 N\n0.361651 0.906971 0.759337 N\n0.861651 0.093029 0.740663 N\n0.638349 0.406971 0.240663 N\n0.861651 0.406971 0.740663 N\n0.638349 0.093029 0.240663 N\n0.138349 0.906971 0.259337 N\n0.361651 0.593029 0.759337 N\n0.831244 0.750000 0.186352 Cl\n0.668756 0.750000 0.686352 Cl\n0.168756 0.250000 0.813648 Cl\n0.331244 0.250000 0.313648 Cl\n0.417167 0.914860 0.153826 O\n0.082833 0.585140 0.653826 O\n0.582833 0.414860 0.846174 O\n0.917167 0.085140 0.346174 O\n0.582833 0.085140 0.846174 O\n0.917167 0.414860 0.346174 O\n0.417167 0.585140 0.153826 O\n0.082833 0.914860 0.653826 O\n0.526615 0.750000 0.024595 O\n0.973385 0.750000 0.524595 O\n0.473385 0.250000 0.975405 O\n0.026615 0.250000 0.475405 O\n0.197326 0.750000 0.061887 O\n0.302674 0.750000 0.561887 O\n0.802674 0.250000 0.938113 O\n0.697326 0.250000 0.438113 O\n0.829427 0.750000 0.006016 O\n0.670573 0.750000 0.506016 O\n0.170573 0.250000 0.993984 O\n0.329427 0.250000 0.493984 O\n0.543900 0.538629 0.410715 O\n0.956100 0.961371 0.910715 O\n0.456100 0.038629 0.589285 O\n0.043900 0.461371 0.089285 O\n0.456100 0.461371 0.589285 O\n0.043900 0.038629 0.089285 O\n0.543900 0.961371 0.410715 O\n0.956100 0.538629 0.910715 O\n",
            "nsites": 160,
            "nelements": 6,
            "elements": [
                "Co",
                "Mo",
                "H",
                "N",
                "Cl",
                "O"
            ],
            "chemical_system": "Cl-Co-H-Mo-N-O",
            "density": 1.9307364401898082,
            "density_atomic": 0.1132830456081333,
            "volume": 1412.3914054488714,
            "volume_molar": 5.316012407392084,
            "formula_full": "Co4 Mo4 H96 N24 Cl4 O28",
            "formula_reduced": "CoMoH24N6ClO7",
            "formula_anonymous": "ABCD6E7F24",
            "energy": -885.7648146400002,
            "energy_per_atom": -5.536030091500001,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -836.04881464,
            "band_gap": 3.4214,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0823182,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:41.232000Z",
            "spacegroup": 62
        },
        {
            "id": "mp-1215110",
            "created_at": "2022-09-04T14:45:02.794674Z",
            "structure_string": "Co4 Mo12 O72\n1.0\n19.964813 0.000000 0.000000\n0.000000 7.773302 0.000000\n0.000000 3.288803 10.691938\nCo Mo O\n4 12 72\ndirect\n0.510308 0.740364 0.779162 Co\n0.489692 0.259636 0.220838 Co\n0.010308 0.759636 0.220838 Co\n0.989692 0.240364 0.779162 Co\n0.231206 0.136027 0.783461 Mo\n0.768794 0.863973 0.216539 Mo\n0.731206 0.363973 0.216539 Mo\n0.268794 0.636027 0.783461 Mo\n0.141703 0.913948 0.624192 Mo\n0.858297 0.086052 0.375808 Mo\n0.641703 0.586052 0.375808 Mo\n0.358297 0.413948 0.624192 Mo\n0.263817 0.227336 0.464987 Mo\n0.736183 0.772664 0.535013 Mo\n0.763817 0.272664 0.535013 Mo\n0.236183 0.727336 0.464987 Mo\n0.264582 0.471961 0.494595 O\n0.735418 0.528039 0.505405 O\n0.764582 0.028039 0.505405 O\n0.235418 0.971961 0.494595 O\n0.049200 0.336283 0.661293 O\n0.950800 0.663717 0.338707 O\n0.549200 0.163717 0.338707 O\n0.450800 0.836283 0.661293 O\n0.334377 0.739513 0.249650 O\n0.665623 0.260487 0.750350 O\n0.834377 0.760487 0.750350 O\n0.165623 0.239513 0.249650 O\n0.052112 0.558923 0.309302 O\n0.947888 0.441077 0.690698 O\n0.552112 0.941077 0.690698 O\n0.447888 0.058923 0.309302 O\n0.414555 0.474181 0.503483 O\n0.585445 0.525819 0.496517 O\n0.914555 0.025819 0.496517 O\n0.085445 0.974181 0.503483 O\n0.239816 0.867510 0.768645 O\n0.760184 0.132490 0.231355 O\n0.739816 0.632490 0.231355 O\n0.260184 0.367510 0.768645 O\n0.572080 0.640436 0.893748 O\n0.427920 0.359564 0.106252 O\n0.072080 0.859564 0.106252 O\n0.927920 0.140436 0.893748 O\n0.031598 0.050435 0.876900 O\n0.968402 0.949565 0.123100 O\n0.531598 0.449565 0.123100 O\n0.468402 0.550435 0.876900 O\n0.786938 0.550023 0.966636 O\n0.213062 0.449977 0.033364 O\n0.286938 0.949977 0.033364 O\n0.713062 0.050023 0.966636 O\n0.179587 0.154479 0.633872 O\n0.820413 0.845521 0.366128 O\n0.679587 0.345521 0.366128 O\n0.320413 0.654479 0.633872 O\n0.318970 0.255549 0.345429 O\n0.681030 0.744451 0.654571 O\n0.818970 0.244451 0.654571 O\n0.181030 0.755549 0.345429 O\n0.318276 0.179833 0.622983 O\n0.681724 0.820167 0.377017 O\n0.818276 0.320167 0.377017 O\n0.181724 0.679833 0.622983 O\n0.172463 0.305587 0.338697 O\n0.827537 0.694413 0.661303 O\n0.672463 0.194413 0.661303 O\n0.327537 0.805587 0.338697 O\n0.094569 0.846341 0.758471 O\n0.905431 0.153659 0.241529 O\n0.594569 0.653659 0.241529 O\n0.405431 0.346341 0.758471 O\n0.476382 0.918318 0.831371 O\n0.523618 0.081682 0.168629 O\n0.976382 0.581682 0.168629 O\n0.023618 0.418318 0.831371 O\n0.452636 0.428918 0.275772 O\n0.547364 0.571082 0.724228 O\n0.952636 0.071082 0.724228 O\n0.047364 0.928918 0.275772 O\n0.169710 0.102682 0.891992 O\n0.830290 0.897318 0.108008 O\n0.669710 0.397318 0.108008 O\n0.330290 0.602682 0.891992 O\n0.305215 0.013499 0.918642 O\n0.694785 0.986501 0.081358 O\n0.805215 0.486501 0.081358 O\n0.194785 0.513499 0.918642 O\n",
            "nsites": 88,
            "nelements": 3,
            "elements": [
                "Co",
                "Mo",
                "O"
            ],
            "chemical_system": "Co-Mo-O",
            "density": 2.540852039907556,
            "density_atomic": 0.053034130496163547,
            "volume": 1659.3088106981572,
            "volume_molar": 11.355217298105108,
            "formula_full": "Co4 Mo12 O72",
            "formula_reduced": "Co(MoO6)3",
            "formula_anonymous": "AB3C18",
            "energy": -552.91153578,
            "energy_per_atom": -6.283085633863636,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -496.34353578,
            "band_gap": 0.0715999999999998,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 52.0000002,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:49.914000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-863432",
            "created_at": "2022-09-04T14:43:45.989617Z",
            "structure_string": "Co4 I8 O24\n1.0\n11.207940 0.000000 0.000000\n0.000000 6.688727 0.000000\n0.000000 3.707518 7.166644\nCo I O\n4 8 24\ndirect\n0.898752 0.157755 0.026976 Co\n0.398752 0.842245 0.473024 Co\n0.601248 0.157755 0.526976 Co\n0.101248 0.842245 0.973024 Co\n0.206883 0.353741 0.930181 I\n0.706883 0.646259 0.569819 I\n0.080622 0.785484 0.461460 I\n0.580622 0.214516 0.038540 I\n0.419378 0.785484 0.961460 I\n0.919378 0.214516 0.538540 I\n0.293117 0.353741 0.430181 I\n0.793117 0.646259 0.069819 I\n0.082770 0.145342 0.986440 O\n0.894519 0.350665 0.690978 O\n0.611254 0.416828 0.588734 O\n0.212895 0.450345 0.678116 O\n0.712895 0.549655 0.821884 O\n0.718159 0.040306 0.099997 O\n0.462273 0.010893 0.172554 O\n0.111254 0.583172 0.911266 O\n0.962273 0.989107 0.327446 O\n0.218159 0.959694 0.400003 O\n0.394519 0.649335 0.809022 O\n0.582770 0.854658 0.513560 O\n0.417230 0.145342 0.486440 O\n0.605481 0.350665 0.190978 O\n0.781841 0.040306 0.599997 O\n0.037727 0.010893 0.672554 O\n0.888746 0.416828 0.088734 O\n0.537727 0.989107 0.827446 O\n0.281841 0.959694 0.900003 O\n0.287105 0.450345 0.178116 O\n0.787105 0.549655 0.321884 O\n0.388746 0.583172 0.411266 O\n0.105481 0.649335 0.309022 O\n0.917230 0.854658 0.013560 O\n",
            "nsites": 36,
            "nelements": 3,
            "elements": [
                "Co",
                "I",
                "O"
            ],
            "chemical_system": "Co-I-O",
            "density": 5.0532359041414985,
            "density_atomic": 0.06700657212774944,
            "volume": 537.2607321467698,
            "volume_molar": 8.987388205023624,
            "formula_full": "Co4 I8 O24",
            "formula_reduced": "Co(IO3)2",
            "formula_anonymous": "AB2C6",
            "energy": -192.15533224,
            "energy_per_atom": -5.337648117777778,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -169.11533224,
            "band_gap": 2.4432000000000005,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 12.0003784,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:16.418000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-774228",
            "created_at": "2022-09-04T14:43:24.323084Z",
            "structure_string": "Co4 I8 O24\n1.0\n5.371537 0.000000 0.000000\n0.000000 5.659419 0.000000\n0.000000 0.000000 17.746278\nCo I O\n4 8 24\ndirect\n0.723448 0.171895 0.100213 Co\n0.223448 0.328105 0.899787 Co\n0.276552 0.671895 0.399787 Co\n0.776552 0.828105 0.600213 Co\n0.976567 0.139675 0.424872 I\n0.257029 0.219305 0.205869 I\n0.757029 0.280695 0.794131 I\n0.476567 0.360325 0.575128 I\n0.023433 0.639675 0.075128 I\n0.742971 0.719305 0.294131 I\n0.242971 0.780695 0.705869 I\n0.523433 0.860325 0.924872 I\n0.102412 0.001534 0.336386 O\n0.028973 0.021730 0.157929 O\n0.520541 0.011693 0.204428 O\n0.419087 0.117923 0.979739 O\n0.893090 0.130769 0.877861 O\n0.746219 0.165874 0.549139 O\n0.246219 0.334126 0.450861 O\n0.393090 0.369231 0.122139 O\n0.919087 0.382077 0.020261 O\n0.020541 0.488307 0.795572 O\n0.528973 0.478270 0.842071 O\n0.602412 0.498466 0.663614 O\n0.897588 0.501534 0.163614 O\n0.971027 0.521730 0.342071 O\n0.479459 0.511693 0.295572 O\n0.580913 0.617923 0.520261 O\n0.106910 0.630769 0.622139 O\n0.253781 0.665874 0.950861 O\n0.753781 0.834126 0.049139 O\n0.606910 0.869231 0.377861 O\n0.080913 0.882077 0.479739 O\n0.979459 0.988307 0.704428 O\n0.471027 0.978270 0.657929 O\n0.397588 0.998466 0.836386 O\n",
            "nsites": 36,
            "nelements": 3,
            "elements": [
                "Co",
                "I",
                "O"
            ],
            "chemical_system": "Co-I-O",
            "density": 5.032421071771074,
            "density_atomic": 0.06673056471526889,
            "volume": 539.4829214110141,
            "volume_molar": 9.024561362092069,
            "formula_full": "Co4 I8 O24",
            "formula_reduced": "Co(IO3)2",
            "formula_anonymous": "AB2C6",
            "energy": -193.0894268,
            "energy_per_atom": -5.3635951888888895,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -170.0494268,
            "band_gap": 2.3537,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 12.0005079,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:13.385000Z",
            "spacegroup": 19
        },
        {
            "id": "mp-572672",
            "created_at": "2022-09-04T14:43:21.478061Z",
            "structure_string": "Co4 I8 O24\n1.0\n0.010756 -0.012850 5.338394\n10.958454 -0.116227 -0.022843\n5.383457 9.490853 0.008941\nCo I O\n4 8 24\ndirect\n0.569582 0.992479 0.010942 Co\n0.069111 0.007810 0.488802 Co\n0.569208 0.492088 0.511000 Co\n0.068804 0.508145 0.988755 Co\n0.968396 0.312783 0.836380 I\n0.968097 0.813150 0.336150 I\n0.467899 0.187050 0.163732 I\n0.468303 0.687427 0.663486 I\n0.998374 0.349143 0.335046 I\n0.998798 0.849258 0.834889 I\n0.498212 0.651020 0.164761 I\n0.498614 0.150904 0.664876 I\n0.781803 0.173939 0.977878 O\n0.781947 0.673940 0.477429 O\n0.281901 0.326371 0.022407 O\n0.281617 0.826335 0.521970 O\n0.782300 0.338241 0.682616 O\n0.781980 0.838980 0.182295 O\n0.282256 0.661878 0.817227 O\n0.281931 0.161212 0.317568 O\n0.361639 0.536622 0.646685 O\n0.360126 0.036962 0.146067 O\n0.861552 0.463571 0.853112 O\n0.860106 0.963411 0.353469 O\n0.844396 0.680898 0.949105 O\n0.844285 0.180828 0.449468 O\n0.344501 0.819453 0.050235 O\n0.344475 0.319379 0.550613 O\n0.854848 0.382113 0.168036 O\n0.855802 0.882208 0.667720 O\n0.354530 0.617972 0.331762 O\n0.355691 0.117851 0.832054 O\n0.286669 0.535439 0.132991 O\n0.286696 0.035481 0.633224 O\n0.786816 0.464770 0.366628 O\n0.786790 0.964687 0.866420 O\n",
            "nsites": 36,
            "nelements": 3,
            "elements": [
                "Co",
                "I",
                "O"
            ],
            "chemical_system": "Co-I-O",
            "density": 4.860495865077171,
            "density_atomic": 0.06445081388205098,
            "volume": 558.5654832207744,
            "volume_molar": 9.343777676758116,
            "formula_full": "Co4 I8 O24",
            "formula_reduced": "Co(IO3)2",
            "formula_anonymous": "AB2C6",
            "energy": -194.37366784,
            "energy_per_atom": -5.399268551111111,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -171.33366784,
            "band_gap": 2.0717000000000003,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 1.92e-05,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:12.898000Z",
            "spacegroup": 4
        },
        {
            "id": "mp-758160",
            "created_at": "2022-09-04T14:47:11.635069Z",
            "structure_string": "Co4 I8 O24\n1.0\n5.546671 -9.607117 0.000000\n5.546671 9.607117 0.000000\n0.000000 0.000000 5.139108\nCo I O\n4 8 24\ndirect\n0.336530 0.175331 0.066421 Co\n0.333333 0.666667 0.573248 Co\n0.838801 0.663470 0.066421 Co\n0.824669 0.161199 0.066421 Co\n0.498624 0.514035 0.997088 I\n0.485965 0.984590 0.997088 I\n0.666667 0.333333 0.459250 I\n0.015410 0.501376 0.997088 I\n0.679135 0.833364 0.485842 I\n0.154229 0.320865 0.485842 I\n0.000000 0.000000 0.011258 I\n0.166636 0.845771 0.485842 I\n0.480499 0.638289 0.782735 O\n0.375136 0.348491 0.837424 O\n0.511913 0.319100 0.296646 O\n0.660924 0.536042 0.854170 O\n0.463958 0.124882 0.854170 O\n0.361711 0.842209 0.782735 O\n0.807187 0.488087 0.296646 O\n0.680900 0.192813 0.296646 O\n0.510447 0.796709 0.348027 O\n0.651509 0.026645 0.837424 O\n0.973355 0.624864 0.837424 O\n0.875118 0.339076 0.854170 O\n0.795271 0.987983 0.289292 O\n0.699835 0.703517 0.296831 O\n0.003682 0.300165 0.296831 O\n0.157791 0.519501 0.782735 O\n0.952321 0.115101 0.834049 O\n0.884899 0.837221 0.834049 O\n0.286263 0.489553 0.348027 O\n0.192712 0.204729 0.289292 O\n0.012017 0.807288 0.289292 O\n0.162779 0.047679 0.834049 O\n0.296483 0.996318 0.296831 O\n0.203291 0.713737 0.348027 O\n",
            "nsites": 36,
            "nelements": 3,
            "elements": [
                "Co",
                "I",
                "O"
            ],
            "chemical_system": "Co-I-O",
            "density": 4.95691470800841,
            "density_atomic": 0.06572934040958776,
            "volume": 547.7006124763847,
            "volume_molar": 9.162028285197225,
            "formula_full": "Co4 I8 O24",
            "formula_reduced": "Co(IO3)2",
            "formula_anonymous": "AB2C6",
            "energy": -194.09224155,
            "energy_per_atom": -5.391451154166667,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -171.05224155,
            "band_gap": 2.3607000000000005,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 12.0000833,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:54.990000Z",
            "spacegroup": 143
        },
        {
            "id": "mp-774233",
            "created_at": "2022-09-04T14:42:50.417509Z",
            "structure_string": "Co4 I8 O24\n1.0\n5.237920 0.000000 0.000000\n0.000000 7.077981 0.000000\n0.000000 0.000000 14.773954\nCo I O\n4 8 24\ndirect\n0.750000 0.623585 0.500000 Co\n0.250000 0.376415 0.500000 Co\n0.250000 0.876415 0.000000 Co\n0.750000 0.123585 0.000000 Co\n0.230256 0.780967 0.647596 I\n0.730256 0.219033 0.647596 I\n0.730256 0.719033 0.852404 I\n0.230256 0.280967 0.852404 I\n0.769744 0.719033 0.147596 I\n0.269744 0.280967 0.147596 I\n0.269744 0.780967 0.352404 I\n0.769744 0.219033 0.352404 I\n0.908513 0.399662 0.579006 O\n0.408513 0.600338 0.579006 O\n0.937432 0.820994 0.579668 O\n0.437432 0.179006 0.579668 O\n0.107712 0.132520 0.762127 O\n0.607712 0.867480 0.762127 O\n0.107712 0.632520 0.737873 O\n0.607712 0.367480 0.737873 O\n0.437432 0.679006 0.920332 O\n0.937432 0.320994 0.920332 O\n0.908513 0.899662 0.920994 O\n0.408513 0.100338 0.920994 O\n0.591487 0.899662 0.079006 O\n0.091487 0.100338 0.079006 O\n0.062568 0.679006 0.079668 O\n0.562568 0.320994 0.079668 O\n0.392288 0.632520 0.262127 O\n0.892288 0.367480 0.262127 O\n0.892288 0.867480 0.237873 O\n0.392288 0.132520 0.237873 O\n0.562568 0.820994 0.420332 O\n0.062568 0.179006 0.420332 O\n0.091487 0.600338 0.420994 O\n0.591487 0.399662 0.420994 O\n",
            "nsites": 36,
            "nelements": 3,
            "elements": [
                "Co",
                "I",
                "O"
            ],
            "chemical_system": "Co-I-O",
            "density": 4.956666244056014,
            "density_atomic": 0.06572604574492869,
            "volume": 547.7280671913494,
            "volume_molar": 9.1624875523029,
            "formula_full": "Co4 I8 O24",
            "formula_reduced": "Co(IO3)2",
            "formula_anonymous": "AB2C6",
            "energy": -192.73633976,
            "energy_per_atom": -5.353787215555555,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -169.69633976,
            "band_gap": 2.3532999999999995,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 11.9997091,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:09.214000Z",
            "spacegroup": 60
        },
        {
            "id": "mp-674322",
            "created_at": "2022-09-04T14:40:15.178048Z",
            "structure_string": "Co4 I8 O24\n1.0\n5.453934 0.000000 0.000000\n-0.003142 10.870494 0.000000\n-0.004295 -5.330280 9.518476\nCo I O\n4 8 24\ndirect\n0.570924 0.509425 0.505193 Co\n0.571381 0.005123 0.002059 Co\n0.071800 0.994044 0.493995 Co\n0.071853 0.490872 0.998386 Co\n0.962948 0.835413 0.683938 I\n0.963242 0.332156 0.186340 I\n0.463177 0.666865 0.315854 I\n0.995008 0.836680 0.150895 I\n0.463785 0.165688 0.814241 I\n0.493088 0.659931 0.846810 I\n0.991321 0.338738 0.654364 I\n0.493670 0.163807 0.346945 I\n0.779468 0.977085 0.823923 O\n0.785312 0.679100 0.655563 O\n0.362489 0.649008 0.467084 O\n0.862551 0.855806 0.534220 O\n0.787221 0.475457 0.327964 O\n0.781453 0.175959 0.156618 O\n0.285212 0.822602 0.342386 O\n0.282565 0.522441 0.176865 O\n0.359236 0.141348 0.960984 O\n0.859300 0.353674 0.037796 O\n0.849400 0.957426 0.320014 O\n0.867541 0.670496 0.128451 O\n0.282002 0.322006 0.845252 O\n0.284916 0.024818 0.671291 O\n0.282417 0.635413 0.966288 O\n0.780607 0.857764 0.030567 O\n0.845621 0.454652 0.825561 O\n0.859743 0.170507 0.623217 O\n0.362837 0.827082 0.873856 O\n0.345069 0.542627 0.676947 O\n0.277747 0.140385 0.464854 O\n0.779215 0.366216 0.537873 O\n0.364928 0.330966 0.373000 O\n0.349003 0.044221 0.176607 O\n",
            "nsites": 36,
            "nelements": 3,
            "elements": [
                "Co",
                "I",
                "O"
            ],
            "chemical_system": "Co-I-O",
            "density": 4.810919553446209,
            "density_atomic": 0.06379342547506897,
            "volume": 564.3214756365311,
            "volume_molar": 9.440064889372502,
            "formula_full": "Co4 I8 O24",
            "formula_reduced": "Co(IO3)2",
            "formula_anonymous": "AB2C6",
            "energy": -186.38431331,
            "energy_per_atom": -5.17734203638889,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -163.34431331000002,
            "band_gap": 2.5407,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 0.0345464,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:53.290000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-1204403",
            "created_at": "2022-09-04T14:41:48.271511Z",
            "structure_string": "Co4 I8 N24 O8\n1.0\n4.756304 11.900640 0.000000\n-4.756304 11.900640 0.000000\n0.000000 9.271594 11.612678\nCo I N O\n4 8 24 8\ndirect\n0.270483 0.270483 0.234620 Co\n0.729517 0.729517 0.765380 Co\n0.000579 0.000579 0.162936 Co\n0.999421 0.999421 0.837064 Co\n0.435602 0.435602 0.962778 I\n0.564398 0.564398 0.037222 I\n0.175609 0.175609 0.770856 I\n0.824391 0.824391 0.229144 I\n0.389449 0.389449 0.826363 I\n0.610551 0.610551 0.173637 I\n0.692927 0.692927 0.434153 I\n0.307073 0.307073 0.565847 I\n0.827245 0.827245 0.550676 N\n0.172755 0.172755 0.449324 N\n0.090659 0.090659 0.199869 N\n0.909341 0.909341 0.800131 N\n0.704410 0.186154 0.277170 N\n0.186154 0.704410 0.277170 N\n0.295590 0.813846 0.722830 N\n0.813846 0.295590 0.722830 N\n0.639129 0.131823 0.341700 N\n0.131823 0.639129 0.341700 N\n0.360871 0.868177 0.658300 N\n0.868177 0.360871 0.658300 N\n0.052129 0.426505 0.160832 N\n0.426505 0.052129 0.160832 N\n0.947871 0.573495 0.839168 N\n0.573495 0.947871 0.839168 N\n0.997476 0.997476 0.041135 N\n0.002524 0.002524 0.958865 N\n0.924917 0.479743 0.210390 N\n0.479743 0.924917 0.210390 N\n0.075083 0.520257 0.789610 N\n0.520257 0.075083 0.789610 N\n0.365448 0.365448 0.129299 N\n0.634552 0.634552 0.870701 N\n0.107051 0.107051 0.099674 O\n0.892949 0.892949 0.900326 O\n0.022693 0.022693 0.279634 O\n0.977307 0.977307 0.720366 O\n0.760514 0.760514 0.598145 O\n0.239486 0.239486 0.401855 O\n0.837463 0.837463 0.626067 O\n0.162537 0.162537 0.373933 O\n",
            "nsites": 44,
            "nelements": 4,
            "elements": [
                "Co",
                "I",
                "N",
                "O"
            ],
            "chemical_system": "Co-I-N-O",
            "density": 2.1664190010345754,
            "density_atomic": 0.03346958860786896,
            "volume": 1314.6262571525979,
            "volume_molar": 17.99287356219296,
            "formula_full": "Co4 I8 N24 O8",
            "formula_reduced": "CoI2(N3O)2",
            "formula_anonymous": "AB2C2D6",
            "energy": -275.71675421,
            "energy_per_atom": -6.26628986840909,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -260.63675421,
            "band_gap": 0.0600999999999999,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 1.1796819,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:28.982000Z",
            "spacegroup": 12
        },
        {
            "id": "mp-1194621",
            "created_at": "2022-09-04T14:43:56.561857Z",
            "structure_string": "Co4 I6 N12 O6\n1.0\n-6.119458 0.000000 0.000000\n0.000000 0.000000 -9.045018\n0.000000 -9.077593 0.000000\nCo I N O\n4 6 12 6\ndirect\n0.500000 0.811677 0.779783 Co\n0.000000 0.188323 0.279783 Co\n0.500000 0.486500 0.595217 Co\n0.000000 0.513500 0.095217 Co\n0.500000 0.103483 0.574247 I\n0.000000 0.896517 0.074247 I\n0.500000 0.117634 0.123791 I\n0.000000 0.882366 0.623791 I\n0.500000 0.681203 0.148032 I\n0.000000 0.318797 0.648032 I\n0.500000 0.821859 0.987651 N\n0.000000 0.178141 0.487651 N\n0.279219 0.967503 0.712757 N\n0.720781 0.967503 0.712757 N\n0.220781 0.032497 0.212757 N\n0.779219 0.032497 0.212757 N\n0.255027 0.484525 0.469905 N\n0.744973 0.484525 0.469905 N\n0.244973 0.515475 0.969905 N\n0.755027 0.515475 0.969905 N\n0.500000 0.288637 0.666219 N\n0.000000 0.711363 0.166219 N\n0.500000 0.683939 0.630245 O\n0.000000 0.316061 0.130245 O\n0.232192 0.590042 0.860246 O\n0.767808 0.590042 0.860246 O\n0.267808 0.409958 0.360246 O\n0.732192 0.409958 0.360246 O\n",
            "nsites": 28,
            "nelements": 4,
            "elements": [
                "Co",
                "I",
                "N",
                "O"
            ],
            "chemical_system": "Co-I-N-O",
            "density": 4.168237849545438,
            "density_atomic": 0.05572690588967417,
            "volume": 502.45028955013663,
            "volume_molar": 10.806522744906,
            "formula_full": "Co4 I6 N12 O6",
            "formula_reduced": "Co2I3(N2O)3",
            "formula_anonymous": "A2B3C3D6",
            "energy": -151.31839284,
            "energy_per_atom": -5.404228315714286,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -136.31239284,
            "band_gap": 0.2322999999999999,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 10.0004446,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:09.378000Z",
            "spacegroup": 31
        },
        {
            "id": "mp-616557",
            "created_at": "2022-09-04T14:42:08.959443Z",
            "structure_string": "Co4 I4 N8 O8\n1.0\n3.895120 0.000000 0.000000\n0.000000 10.720000 0.000000\n0.000000 0.000000 12.803074\nCo I N O\n4 4 8 8\ndirect\n0.750000 0.058947 0.789154 Co\n0.250000 0.941053 0.210846 Co\n0.750000 0.558947 0.710846 Co\n0.250000 0.441053 0.289154 Co\n0.250000 0.412056 0.651625 I\n0.750000 0.587944 0.348375 I\n0.250000 0.912056 0.848375 I\n0.750000 0.087944 0.151625 I\n0.250000 0.315179 0.361689 N\n0.250000 0.425529 0.162244 N\n0.250000 0.815179 0.138311 N\n0.750000 0.184821 0.861689 N\n0.750000 0.574471 0.837756 N\n0.250000 0.925529 0.337756 N\n0.750000 0.684821 0.638311 N\n0.750000 0.074471 0.662244 N\n0.250000 0.899077 0.426859 O\n0.750000 0.786450 0.604190 O\n0.250000 0.713550 0.104190 O\n0.750000 0.286450 0.895810 O\n0.250000 0.399077 0.073141 O\n0.250000 0.213550 0.395810 O\n0.750000 0.100923 0.573141 O\n0.750000 0.600923 0.926859 O\n",
            "nsites": 24,
            "nelements": 4,
            "elements": [
                "Co",
                "I",
                "N",
                "O"
            ],
            "chemical_system": "Co-I-N-O",
            "density": 3.054563655709991,
            "density_atomic": 0.044893282251156005,
            "volume": 534.6011428999936,
            "volume_molar": 13.414347220835985,
            "formula_full": "Co4 I4 N8 O8",
            "formula_reduced": "CoI(NO)2",
            "formula_anonymous": "ABC2D2",
            "energy": -147.85391443999998,
            "energy_per_atom": -6.160579768333332,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -134.28991444,
            "band_gap": 1.5959,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 5.43e-05,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:40.113000Z",
            "spacegroup": 62
        },
        {
            "id": "mp-1204312",
            "created_at": "2022-09-04T14:46:24.956075Z",
            "structure_string": "Co4 I12 N24\n1.0\n11.290299 0.000000 0.000000\n0.000000 11.290299 0.000000\n0.000000 0.000000 11.290299\nCo I N\n4 12 24\ndirect\n0.750000 0.250000 0.250000 Co\n0.250000 0.250000 0.750000 Co\n0.250000 0.750000 0.250000 Co\n0.750000 0.750000 0.750000 Co\n0.500000 0.881531 0.500000 I\n0.500000 0.118469 0.500000 I\n0.500000 0.500000 0.881531 I\n0.500000 0.500000 0.118469 I\n0.881531 0.500000 0.500000 I\n0.118469 0.500000 0.500000 I\n0.000000 0.618469 0.000000 I\n0.000000 0.381531 0.000000 I\n0.000000 0.000000 0.618469 I\n0.000000 0.000000 0.381531 I\n0.618469 0.000000 0.000000 I\n0.381531 0.000000 0.000000 I\n0.378739 0.621261 0.465431 N\n0.621261 0.621261 0.534569 N\n0.621261 0.378739 0.465431 N\n0.378739 0.378739 0.534569 N\n0.534569 0.621261 0.621261 N\n0.465431 0.621261 0.378739 N\n0.465431 0.378739 0.621261 N\n0.534569 0.378739 0.378739 N\n0.621261 0.534569 0.621261 N\n0.378739 0.465431 0.621261 N\n0.621261 0.465431 0.378739 N\n0.378739 0.534569 0.378739 N\n0.121261 0.878739 0.034569 N\n0.878739 0.878739 0.965431 N\n0.878739 0.121261 0.034569 N\n0.121261 0.121261 0.965431 N\n0.965431 0.878739 0.878739 N\n0.034569 0.878739 0.121261 N\n0.034569 0.121261 0.878739 N\n0.965431 0.121261 0.121261 N\n0.878739 0.965431 0.878739 N\n0.121261 0.034569 0.878739 N\n0.878739 0.034569 0.121261 N\n0.121261 0.965431 0.121261 N\n",
            "nsites": 40,
            "nelements": 3,
            "elements": [
                "Co",
                "I",
                "N"
            ],
            "chemical_system": "Co-I-N",
            "density": 2.4169317664852445,
            "density_atomic": 0.027793526915614236,
            "volume": 1439.1840273257383,
            "volume_molar": 21.667421980248204,
            "formula_full": "Co4 I12 N24",
            "formula_reduced": "Co(IN2)3",
            "formula_anonymous": "AB3C6",
            "energy": -188.53505896,
            "energy_per_atom": -4.7133764739999995,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -179.87105896,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 21.6562299,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:36.542000Z",
            "spacegroup": 224
        }
    ]
}