GET /third-parties/MatprojStructure/?format=api&ordering=-energy&page=10189
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=-energy&page=10190",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy&page=10188",
    "results": [
        {
            "id": "mp-759643",
            "created_at": "2022-09-04T14:39:45.134077Z",
            "structure_string": "Fe10 P6 O26\n1.0\n6.235753 0.000000 0.000000\n-0.003629 8.534325 0.000000\n-0.103307 -0.821703 9.603576\nFe P O\n10 6 26\ndirect\n0.994890 0.125765 0.772745 Fe\n0.252899 0.834572 0.898250 Fe\n0.249894 0.761358 0.559618 Fe\n0.246485 0.582700 0.120257 Fe\n0.516725 0.124918 0.769171 Fe\n0.483275 0.875082 0.230829 Fe\n0.753515 0.417300 0.879743 Fe\n0.750106 0.238642 0.440382 Fe\n0.747101 0.165428 0.101750 Fe\n0.005110 0.874235 0.227255 Fe\n0.255481 0.472019 0.763376 P\n0.247859 0.108349 0.480217 P\n0.248014 0.176597 0.086951 P\n0.751986 0.823403 0.913049 P\n0.752141 0.891651 0.519783 P\n0.744519 0.527981 0.236624 P\n0.048967 0.367519 0.770650 O\n0.051710 0.208969 0.455074 O\n0.044660 0.107174 0.153311 O\n0.252326 0.117052 0.928055 O\n0.247498 0.054794 0.634296 O\n0.257652 0.593425 0.894572 O\n0.257052 0.556222 0.630298 O\n0.242996 0.813553 0.096132 O\n0.242250 0.949230 0.381762 O\n0.244465 0.354292 0.109585 O\n0.452303 0.199526 0.459891 O\n0.460438 0.365627 0.772539 O\n0.452164 0.108589 0.156883 O\n0.547836 0.891411 0.843117 O\n0.539562 0.634373 0.227461 O\n0.547697 0.800474 0.540109 O\n0.755535 0.645708 0.890415 O\n0.757750 0.050770 0.618238 O\n0.757004 0.186447 0.903868 O\n0.742948 0.443778 0.369702 O\n0.742348 0.406575 0.105428 O\n0.752502 0.945206 0.365704 O\n0.747674 0.882948 0.071945 O\n0.955340 0.892826 0.846689 O\n0.948290 0.791031 0.544926 O\n0.951033 0.632481 0.229350 O\n",
            "nsites": 42,
            "nelements": 3,
            "elements": [
                "Fe",
                "P",
                "O"
            ],
            "chemical_system": "Fe-O-P",
            "density": 3.769812160168506,
            "density_atomic": 0.08217850400946108,
            "volume": 511.0825574917329,
            "volume_molar": 7.328121669514306,
            "formula_full": "Fe10 P6 O26",
            "formula_reduced": "Fe5P3O13",
            "formula_anonymous": "A3B5C13",
            "energy": -336.89261435000003,
            "energy_per_atom": -8.021252722619048,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -296.47061435,
            "band_gap": 0.8651,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 42.0000102,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:30.622000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-1217927",
            "created_at": "2022-09-04T14:39:36.247295Z",
            "structure_string": "Ta4 Ti4 Fe4 O24\n1.0\n4.709406 -0.000208 -0.000079\n0.000055 -4.708904 9.090678\n0.000417 -9.418762 -0.000493\nTa Ti Fe O\n4 4 4 24\ndirect\n0.499847 0.833931 0.832988 Ta\n0.499954 0.834100 0.332950 Ta\n0.000060 0.334079 0.333021 Ta\n0.000155 0.333868 0.833080 Ta\n0.500104 0.499311 0.000324 Ti\n0.500214 0.499372 0.500365 Ti\n0.999911 0.999241 0.000279 Ti\n0.999781 0.999374 0.500343 Ti\n0.500113 0.168163 0.166110 Fe\n0.000128 0.667731 0.166040 Fe\n0.499939 0.167588 0.666085 Fe\n0.999853 0.667624 0.665976 Fe\n0.192567 0.165470 0.013557 O\n0.192566 0.165386 0.513557 O\n0.807421 0.165348 0.321094 O\n0.807434 0.165336 0.821035 O\n0.307426 0.665412 0.013596 O\n0.307436 0.665364 0.513599 O\n0.692575 0.665311 0.821062 O\n0.692575 0.665323 0.321128 O\n0.199999 0.496210 0.851934 O\n0.200023 0.496207 0.351975 O\n0.799731 0.496139 0.151896 O\n0.799702 0.496207 0.651836 O\n0.300004 0.996260 0.351966 O\n0.299984 0.996220 0.851924 O\n0.700241 0.996167 0.151924 O\n0.700276 0.996201 0.651843 O\n0.196981 0.837895 0.679454 O\n0.197009 0.837848 0.179524 O\n0.803234 0.837875 0.982638 O\n0.803211 0.837832 0.482663 O\n0.302981 0.337908 0.179508 O\n0.302999 0.337918 0.679454 O\n0.696797 0.337937 0.982618 O\n0.696769 0.337851 0.482646 O\n",
            "nsites": 36,
            "nelements": 4,
            "elements": [
                "Ta",
                "Ti",
                "Fe",
                "O"
            ],
            "chemical_system": "Fe-O-Ta-Ti",
            "density": 6.270094456250702,
            "density_atomic": 0.08927595327306201,
            "volume": 403.2440839907848,
            "volume_molar": 6.745535095638247,
            "formula_full": "Ta4 Ti4 Fe4 O24",
            "formula_reduced": "TaTiFeO6",
            "formula_anonymous": "ABCD6",
            "energy": -336.90950406,
            "energy_per_atom": -9.358597335,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -311.39750406,
            "band_gap": 1.3284000000000002,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 2.1e-06,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:29.219000Z",
            "spacegroup": 102
        },
        {
            "id": "mp-582159",
            "created_at": "2022-09-04T14:39:45.191628Z",
            "structure_string": "Si8 Ni28 P20\n1.0\n4.913506 0.000000 0.000000\n0.000000 5.922849 0.000000\n0.000000 0.000000 23.937461\nSi Ni P\n8 28 20\ndirect\n0.219477 0.159271 0.782984 Si\n0.780523 0.340729 0.282984 Si\n0.280523 0.159271 0.217016 Si\n0.780523 0.840729 0.217016 Si\n0.280523 0.659271 0.282984 Si\n0.719477 0.840729 0.782984 Si\n0.219477 0.659271 0.717016 Si\n0.719477 0.340729 0.717016 Si\n0.993571 0.449434 0.639839 Ni\n0.500933 0.466117 0.794293 Ni\n0.006429 0.550566 0.360161 Ni\n0.501353 0.457635 0.926230 Ni\n0.501353 0.957635 0.573770 Ni\n0.499067 0.533883 0.205707 Ni\n0.500933 0.966117 0.705707 Ni\n0.998647 0.457635 0.073770 Ni\n0.006429 0.050566 0.139839 Ni\n0.001353 0.042365 0.573770 Ni\n0.493571 0.050566 0.860161 Ni\n0.999067 0.966117 0.294293 Ni\n0.999067 0.466117 0.205707 Ni\n0.998647 0.957635 0.426230 Ni\n0.000933 0.533883 0.794293 Ni\n0.498647 0.542365 0.073770 Ni\n0.493571 0.550566 0.639839 Ni\n0.506429 0.949434 0.139839 Ni\n0.000000 0.500000 0.500000 Ni\n0.993571 0.949434 0.860161 Ni\n0.498647 0.042365 0.426230 Ni\n0.000933 0.033883 0.705707 Ni\n0.506429 0.449434 0.360161 Ni\n0.499067 0.033883 0.294293 Ni\n0.500000 0.000000 0.000000 Ni\n0.001353 0.542365 0.926230 Ni\n0.000000 0.000000 0.000000 Ni\n0.500000 0.500000 0.500000 Ni\n0.312403 0.685323 0.857841 P\n0.692360 0.822936 0.927767 P\n0.192360 0.177064 0.927767 P\n0.812403 0.314677 0.857841 P\n0.250000 0.168628 0.500000 P\n0.750000 0.831372 0.500000 P\n0.312403 0.185323 0.642159 P\n0.250000 0.668628 0.000000 P\n0.687597 0.814677 0.357841 P\n0.812403 0.814677 0.642159 P\n0.807640 0.322936 0.427767 P\n0.192360 0.677064 0.572233 P\n0.687597 0.314677 0.142159 P\n0.692360 0.322936 0.572233 P\n0.307640 0.177064 0.072233 P\n0.187597 0.685323 0.142159 P\n0.750000 0.331372 0.000000 P\n0.807640 0.822936 0.072233 P\n0.187597 0.185323 0.357841 P\n0.307640 0.677064 0.427767 P\n",
            "nsites": 56,
            "nelements": 3,
            "elements": [
                "Si",
                "Ni",
                "P"
            ],
            "chemical_system": "Ni-P-Si",
            "density": 5.929593862262403,
            "density_atomic": 0.08038736474671776,
            "volume": 696.626891258884,
            "volume_molar": 7.491402136361096,
            "formula_full": "Si8 Ni28 P20",
            "formula_reduced": "Si2Ni7P5",
            "formula_anonymous": "A2B5C7",
            "energy": -336.91482667,
            "energy_per_atom": -6.016336190535715,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -336.91482667,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0031753,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:42.038000Z",
            "spacegroup": 60
        },
        {
            "id": "mp-1214473",
            "created_at": "2022-09-04T14:45:27.016052Z",
            "structure_string": "Ba4 Sm8 Co8 O24\n1.0\n5.610994 0.000000 0.000000\n0.000000 5.677422 0.000000\n0.000000 0.000000 19.982114\nBa Sm Co O\n4 8 8 24\ndirect\n0.226377 0.738926 0.000000 Ba\n0.773623 0.261074 0.000000 Ba\n0.273623 0.238926 0.500000 Ba\n0.726377 0.761074 0.500000 Ba\n0.245659 0.260202 0.315071 Sm\n0.754341 0.739798 0.684929 Sm\n0.754341 0.739798 0.315071 Sm\n0.254341 0.760202 0.184929 Sm\n0.245659 0.260202 0.684929 Sm\n0.745659 0.239798 0.815071 Sm\n0.745659 0.239798 0.184929 Sm\n0.254341 0.760202 0.815071 Sm\n0.249186 0.256787 0.100541 Co\n0.750814 0.743213 0.899459 Co\n0.750814 0.743213 0.100541 Co\n0.250814 0.756787 0.399459 Co\n0.249186 0.256787 0.899459 Co\n0.749186 0.243213 0.600541 Co\n0.749186 0.243213 0.399459 Co\n0.250814 0.756787 0.600541 Co\n0.000000 0.000000 0.110030 O\n0.000000 0.000000 0.889970 O\n0.500000 0.500000 0.389970 O\n0.500000 0.500000 0.610030 O\n0.287827 0.224896 0.000000 O\n0.712173 0.775104 0.000000 O\n0.212173 0.724896 0.500000 O\n0.787827 0.275104 0.500000 O\n0.315528 0.173280 0.208070 O\n0.684472 0.826720 0.791930 O\n0.684472 0.826720 0.208070 O\n0.184472 0.673280 0.291930 O\n0.315528 0.173280 0.791930 O\n0.815528 0.326720 0.708070 O\n0.815528 0.326720 0.291930 O\n0.184472 0.673280 0.708070 O\n0.000000 0.000000 0.384654 O\n0.000000 0.000000 0.615346 O\n0.500000 0.500000 0.115346 O\n0.500000 0.500000 0.884654 O\n0.000000 0.500000 0.124404 O\n0.000000 0.500000 0.875596 O\n0.500000 0.000000 0.375596 O\n0.500000 0.000000 0.624404 O\n",
            "nsites": 44,
            "nelements": 4,
            "elements": [
                "Ba",
                "Sm",
                "Co",
                "O"
            ],
            "chemical_system": "Ba-Co-O-Sm",
            "density": 6.802431527329414,
            "density_atomic": 0.06912263152267716,
            "volume": 636.5498394771741,
            "volume_molar": 8.712256213833973,
            "formula_full": "Ba4 Sm8 Co8 O24",
            "formula_reduced": "BaSm2(CoO3)2",
            "formula_anonymous": "AB2C2D6",
            "energy": -336.91745633,
            "energy_per_atom": -7.657214916590909,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -307.32545633,
            "band_gap": 0.1305999999999998,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 23.9998005,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:00.620000Z",
            "spacegroup": 58
        },
        {
            "id": "mp-882823",
            "created_at": "2022-09-04T14:42:25.738097Z",
            "structure_string": "Na16 Nb10 O28\n1.0\n10.825582 0.000000 0.000000\n-1.571480 8.522298 0.000000\n-2.152637 -3.854754 7.559868\nNa Nb O\n16 10 28\ndirect\n0.682976 0.020146 0.459214 Na\n0.000000 0.000000 0.000000 Na\n0.686769 0.196241 0.206962 Na\n0.366979 0.175475 0.305011 Na\n0.019360 0.116270 0.370551 Na\n0.421227 0.296229 0.703711 Na\n0.482039 0.388485 0.106844 Na\n0.135237 0.428143 0.567756 Na\n0.500000 0.500000 0.500000 Na\n0.864763 0.571857 0.432244 Na\n0.517961 0.611515 0.893156 Na\n0.578773 0.703771 0.296289 Na\n0.980640 0.883730 0.629449 Na\n0.633021 0.824525 0.694989 Na\n0.313231 0.803759 0.793038 Na\n0.317024 0.979854 0.540786 Na\n0.705496 0.141921 0.852532 Nb\n0.085046 0.209447 0.780153 Nb\n0.773832 0.356890 0.625208 Nb\n0.099235 0.344514 0.169373 Nb\n0.859880 0.471203 0.031998 Nb\n0.140120 0.528797 0.968002 Nb\n0.900765 0.655486 0.830627 Nb\n0.226168 0.643110 0.374792 Nb\n0.914954 0.790553 0.219847 Nb\n0.294504 0.858079 0.147468 Nb\n0.532036 0.984829 0.807599 O\n0.859801 0.058617 0.755364 O\n0.592174 0.178835 0.618483 O\n0.910160 0.235146 0.557451 O\n0.177343 0.106442 0.671042 O\n0.887285 0.164882 0.097030 O\n0.644199 0.286615 0.968147 O\n0.933363 0.327083 0.881910 O\n0.638799 0.354535 0.393587 O\n0.198830 0.221811 0.034314 O\n0.235036 0.312615 0.398266 O\n0.993559 0.526414 0.695144 O\n0.676420 0.473150 0.763692 O\n0.254684 0.395542 0.844931 O\n0.745316 0.604458 0.155069 O\n0.323580 0.526850 0.236308 O\n0.006441 0.473586 0.304856 O\n0.764964 0.687385 0.601734 O\n0.801170 0.778189 0.965686 O\n0.361201 0.645465 0.606413 O\n0.066637 0.672917 0.118090 O\n0.355801 0.713385 0.031853 O\n0.112715 0.835118 0.902970 O\n0.822657 0.893558 0.328958 O\n0.089840 0.764854 0.442549 O\n0.407826 0.821165 0.381517 O\n0.140199 0.941383 0.244636 O\n0.467964 0.015171 0.192401 O\n",
            "nsites": 54,
            "nelements": 3,
            "elements": [
                "Na",
                "Nb",
                "O"
            ],
            "chemical_system": "Na-Nb-O",
            "density": 4.15425645178483,
            "density_atomic": 0.07742328198188551,
            "volume": 697.4646206890869,
            "volume_molar": 7.778203927610537,
            "formula_full": "Na16 Nb10 O28",
            "formula_reduced": "Na8Nb5O14",
            "formula_anonymous": "A5B8C14",
            "energy": -336.92327326,
            "energy_per_atom": -6.239319875185185,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -317.68727326,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.3477845,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:42.822000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-759889",
            "created_at": "2022-09-04T14:40:18.965460Z",
            "structure_string": "Li8 V4 C8 O24\n1.0\n5.291670 7.302384 0.000000\n-5.291670 7.302384 0.000000\n0.000000 6.666071 7.268116\nLi V C O\n8 4 8 24\ndirect\n0.625704 0.374296 0.000000 Li\n0.683477 0.316523 0.500000 Li\n0.288582 0.219198 0.001041 Li\n0.174902 0.178081 0.573914 Li\n0.780802 0.711418 0.998959 Li\n0.320584 0.679416 0.000000 Li\n0.821919 0.825098 0.426086 Li\n0.375305 0.624695 0.500000 Li\n0.465591 0.466653 0.284179 V\n0.533347 0.534409 0.715821 V\n0.973043 0.026957 0.500000 V\n0.029710 0.970290 0.000000 V\n0.264691 0.327794 0.190507 C\n0.835343 0.237718 0.732871 C\n0.762282 0.164657 0.267129 C\n0.331423 0.259964 0.719034 C\n0.239126 0.835083 0.693888 C\n0.672206 0.735309 0.809493 C\n0.740036 0.668577 0.280966 C\n0.164917 0.760874 0.306112 C\n0.364676 0.427875 0.013160 O\n0.166923 0.212493 0.237403 O\n0.436976 0.352347 0.698962 O\n0.270148 0.347688 0.307205 O\n0.666862 0.292598 0.197941 O\n0.847571 0.223910 0.602454 O\n0.707402 0.333138 0.802059 O\n0.341096 0.278175 0.575908 O\n0.950480 0.162948 0.791116 O\n0.162174 0.951367 0.597845 O\n0.776090 0.152429 0.397546 O\n0.787507 0.833077 0.762597 O\n0.223887 0.153005 0.885154 O\n0.226411 0.844626 0.826809 O\n0.837052 0.049520 0.208884 O\n0.846995 0.776113 0.114846 O\n0.652312 0.729852 0.692795 O\n0.155374 0.773589 0.173191 O\n0.647653 0.563024 0.301038 O\n0.334198 0.708721 0.654608 O\n0.572125 0.635324 0.986840 O\n0.721825 0.658904 0.424092 O\n0.048633 0.837826 0.402155 O\n0.291279 0.665802 0.345392 O\n",
            "nsites": 44,
            "nelements": 4,
            "elements": [
                "Li",
                "V",
                "C",
                "O"
            ],
            "chemical_system": "C-Li-O-V",
            "density": 2.1857416988449647,
            "density_atomic": 0.07833275679187593,
            "volume": 561.7062618759173,
            "volume_molar": 7.687895851795901,
            "formula_full": "Li8 V4 C8 O24",
            "formula_reduced": "Li2V(CO3)2",
            "formula_anonymous": "AB2C2D6",
            "energy": -336.92445138,
            "energy_per_atom": -7.657373895,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -313.63645138,
            "band_gap": 2.6134000000000004,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 11.9967316,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:53.517000Z",
            "spacegroup": 5
        },
        {
            "id": "mp-1216808",
            "created_at": "2022-09-04T14:39:18.066082Z",
            "structure_string": "Ti4 Nb4 Cr4 O24\n1.0\n4.704362 0.000068 -0.000033\n0.000135 9.408115 0.000007\n-0.000063 0.000006 9.086352\nTi Nb Cr O\n4 4 4 24\ndirect\n0.499985 0.250011 0.498171 Ti\n0.499982 0.750008 0.498169 Ti\n0.999981 0.999992 0.998156 Ti\n0.999974 0.499987 0.998155 Ti\n0.499994 0.250005 0.834304 Nb\n0.499985 0.750012 0.834307 Nb\n0.999992 0.999994 0.334287 Nb\n0.999989 0.499987 0.334288 Nb\n0.500003 0.749995 0.167211 Cr\n0.000009 0.500010 0.667216 Cr\n0.499982 0.249987 0.167216 Cr\n0.999995 0.000010 0.667204 Cr\n0.194252 0.402648 0.164905 O\n0.194256 0.902650 0.164905 O\n0.805750 0.097353 0.164900 O\n0.805746 0.597352 0.164900 O\n0.305800 0.152910 0.664841 O\n0.305798 0.652913 0.664843 O\n0.694205 0.347086 0.664846 O\n0.694201 0.847087 0.664847 O\n0.200358 0.400268 0.498108 O\n0.200362 0.900268 0.498106 O\n0.799656 0.099722 0.498109 O\n0.799657 0.599723 0.498110 O\n0.300479 0.150239 0.998137 O\n0.300483 0.650240 0.998138 O\n0.699539 0.349771 0.998135 O\n0.699538 0.849772 0.998136 O\n0.193613 0.403120 0.837227 O\n0.193614 0.903122 0.837226 O\n0.806401 0.096870 0.837228 O\n0.806398 0.596871 0.837229 O\n0.306118 0.153196 0.337112 O\n0.306125 0.653197 0.337111 O\n0.693890 0.346811 0.337108 O\n0.693892 0.846813 0.337109 O\n",
            "nsites": 36,
            "nelements": 4,
            "elements": [
                "Ti",
                "Nb",
                "Cr",
                "O"
            ],
            "chemical_system": "Cr-Nb-O-Ti",
            "density": 4.769381444535038,
            "density_atomic": 0.08951783973349975,
            "volume": 402.1544767743979,
            "volume_molar": 6.72730796222104,
            "formula_full": "Ti4 Nb4 Cr4 O24",
            "formula_reduced": "TiNbCrO6",
            "formula_anonymous": "ABCD6",
            "energy": -336.92517891,
            "energy_per_atom": -9.3590327475,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -312.44117891,
            "band_gap": 1.6732,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 1.01e-05,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:41.371000Z",
            "spacegroup": 102
        },
        {
            "id": "mp-1197695",
            "created_at": "2022-09-04T14:44:09.471878Z",
            "structure_string": "Rb4 U4 Se8 O32\n1.0\n10.406198 0.000000 0.000000\n0.000000 9.067462 0.000000\n0.000000 8.540817 10.012907\nRb U Se O\n4 4 8 32\ndirect\n0.560252 0.273512 0.441820 Rb\n0.939748 0.273512 0.941820 Rb\n0.439748 0.726488 0.558180 Rb\n0.060252 0.726488 0.058180 Rb\n0.796415 0.810671 0.314008 U\n0.703585 0.810671 0.814008 U\n0.203585 0.189329 0.685992 U\n0.296415 0.189329 0.185992 U\n0.966344 0.202417 0.303422 Se\n0.533656 0.202417 0.803422 Se\n0.033656 0.797583 0.696578 Se\n0.466344 0.797583 0.196578 Se\n0.126327 0.712660 0.401624 Se\n0.373673 0.712660 0.901624 Se\n0.873673 0.287340 0.598376 Se\n0.626327 0.287340 0.098376 Se\n0.871438 0.380879 0.264319 O\n0.628562 0.380879 0.764319 O\n0.128562 0.619121 0.735681 O\n0.371438 0.619121 0.235681 O\n0.903778 0.108342 0.235676 O\n0.596222 0.108342 0.735676 O\n0.096222 0.891658 0.764324 O\n0.403778 0.891658 0.264324 O\n0.972989 0.707927 0.456084 O\n0.527011 0.707927 0.956084 O\n0.027011 0.292073 0.543916 O\n0.472989 0.292073 0.043916 O\n0.189559 0.911651 0.376100 O\n0.310441 0.911651 0.876100 O\n0.810441 0.088349 0.623900 O\n0.689559 0.088349 0.123900 O\n0.792931 0.472314 0.455326 O\n0.707069 0.472314 0.955326 O\n0.207069 0.527686 0.544674 O\n0.292931 0.527686 0.044674 O\n0.609292 0.691923 0.276315 O\n0.890708 0.691923 0.776315 O\n0.390708 0.308077 0.723685 O\n0.109292 0.308077 0.223685 O\n0.900227 0.826664 0.194588 O\n0.599773 0.826664 0.694588 O\n0.099773 0.173336 0.805412 O\n0.400227 0.173336 0.305412 O\n0.698344 0.818071 0.425377 O\n0.801656 0.818071 0.925377 O\n0.301656 0.181929 0.574623 O\n0.198344 0.181929 0.074623 O\n",
            "nsites": 48,
            "nelements": 4,
            "elements": [
                "Rb",
                "U",
                "Se",
                "O"
            ],
            "chemical_system": "O-Rb-Se-U",
            "density": 4.284321119141184,
            "density_atomic": 0.050804622146800794,
            "volume": 944.7959254829848,
            "volume_molar": 11.853529276527095,
            "formula_full": "Rb4 U4 Se8 O32",
            "formula_reduced": "RbU(SeO4)2",
            "formula_anonymous": "ABC2D8",
            "energy": -336.93463893,
            "energy_per_atom": -7.019471644375,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -314.95063893,
            "band_gap": 0.059,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 3.9991364,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:29.369000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-29492",
            "created_at": "2022-09-04T14:41:26.847091Z",
            "structure_string": "S8 I8 O44\n1.0\n10.661384 0.000000 0.000000\n0.000000 9.320915 0.000000\n0.000000 0.742006 9.329893\nS I O\n8 8 44\ndirect\n0.153731 0.280314 0.686436 S\n0.653731 0.219686 0.313564 S\n0.846269 0.719686 0.313564 S\n0.346269 0.780314 0.686436 S\n0.404800 0.277643 0.805069 S\n0.904800 0.222357 0.194931 S\n0.595200 0.722357 0.194931 S\n0.095200 0.777643 0.805069 S\n0.221960 0.367143 0.082517 I\n0.721960 0.132857 0.917483 I\n0.778040 0.632857 0.917483 I\n0.278040 0.867143 0.082517 I\n0.332888 0.367187 0.388408 I\n0.832888 0.132813 0.611592 I\n0.667112 0.632813 0.611592 I\n0.167112 0.867187 0.388408 I\n0.339386 0.178398 0.419802 O\n0.839386 0.321602 0.580198 O\n0.660614 0.821602 0.580198 O\n0.160614 0.678398 0.419802 O\n0.171658 0.387038 0.291723 O\n0.671658 0.112962 0.708277 O\n0.828342 0.612962 0.708277 O\n0.328342 0.887038 0.291723 O\n0.212936 0.177409 0.083322 O\n0.712936 0.322591 0.916678 O\n0.787064 0.822591 0.916678 O\n0.287064 0.677409 0.083322 O\n0.383444 0.382875 0.175774 O\n0.883444 0.117125 0.824226 O\n0.095800 0.344789 0.804491 O\n0.616556 0.617125 0.824226 O\n0.147053 0.893933 0.891685 O\n0.647053 0.606067 0.108315 O\n0.852947 0.106067 0.108315 O\n0.352947 0.393933 0.891685 O\n0.031895 0.663612 0.891367 O\n0.531895 0.836388 0.108633 O\n0.968105 0.336388 0.108633 O\n0.468105 0.163612 0.891367 O\n0.294716 0.894330 0.579660 O\n0.794716 0.605670 0.420340 O\n0.705284 0.105670 0.420340 O\n0.205284 0.394330 0.579660 O\n0.219793 0.691533 0.751168 O\n0.719793 0.808467 0.248832 O\n0.780207 0.308467 0.248832 O\n0.280207 0.191533 0.751168 O\n0.412817 0.666591 0.621545 O\n0.912817 0.833409 0.378455 O\n0.587183 0.333409 0.378455 O\n0.087183 0.166591 0.621545 O\n0.032468 0.841739 0.679456 O\n0.532468 0.658261 0.320544 O\n0.967532 0.158261 0.320544 O\n0.467532 0.341739 0.679456 O\n0.404200 0.844789 0.804491 O\n0.904200 0.655211 0.195509 O\n0.595800 0.155211 0.195509 O\n0.116556 0.882875 0.175774 O\n",
            "nsites": 60,
            "nelements": 3,
            "elements": [
                "S",
                "I",
                "O"
            ],
            "chemical_system": "I-O-S",
            "density": 3.538569700954971,
            "density_atomic": 0.06471462721671395,
            "volume": 927.1474252501558,
            "volume_molar": 9.305687166880029,
            "formula_full": "S8 I8 O44",
            "formula_reduced": "S2I2O11",
            "formula_anonymous": "A2B2C11",
            "energy": -336.94033361,
            "energy_per_atom": -5.6156722268333334,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -306.71233361,
            "band_gap": 2.6242,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0028635,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:20.629000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-1211910",
            "created_at": "2022-09-04T14:42:27.344109Z",
            "structure_string": "La4 Al4 Ge8 O28\n1.0\n6.630004 0.000000 0.000000\n0.000000 7.377669 0.000000\n0.000000 5.999814 11.531515\nLa Al Ge O\n4 4 8 28\ndirect\n0.352070 0.738704 0.525606 La\n0.647930 0.261296 0.474394 La\n0.852070 0.261296 0.974394 La\n0.147930 0.738704 0.025606 La\n0.397664 0.713482 0.269693 Al\n0.602336 0.286518 0.730307 Al\n0.897664 0.286518 0.230307 Al\n0.102336 0.713482 0.769693 Al\n0.657321 0.708710 0.049599 Ge\n0.342679 0.291290 0.950401 Ge\n0.157321 0.291290 0.450401 Ge\n0.842679 0.708710 0.549599 Ge\n0.909735 0.803293 0.280805 Ge\n0.090265 0.196707 0.719195 Ge\n0.409735 0.196707 0.219195 Ge\n0.590265 0.803293 0.780805 Ge\n0.375406 0.928723 0.299869 O\n0.624594 0.071277 0.700131 O\n0.875406 0.071277 0.200131 O\n0.124594 0.928723 0.799869 O\n0.822095 0.906745 0.023361 O\n0.177905 0.093255 0.976639 O\n0.322095 0.093255 0.476639 O\n0.677905 0.906745 0.523361 O\n0.615111 0.274508 0.276506 O\n0.384889 0.725492 0.723494 O\n0.115111 0.725492 0.223494 O\n0.884889 0.274508 0.776506 O\n0.996065 0.746649 0.427180 O\n0.003935 0.253351 0.572820 O\n0.496065 0.253351 0.072820 O\n0.503935 0.746649 0.927180 O\n0.450459 0.703370 0.136042 O\n0.549541 0.296630 0.863958 O\n0.950459 0.296630 0.363958 O\n0.049541 0.703370 0.636042 O\n0.837221 0.504084 0.087344 O\n0.162779 0.495916 0.912656 O\n0.337221 0.495916 0.412656 O\n0.662779 0.504084 0.587344 O\n0.681438 0.662605 0.312145 O\n0.318562 0.337395 0.687855 O\n0.181438 0.337395 0.187855 O\n0.818562 0.662605 0.812145 O\n",
            "nsites": 44,
            "nelements": 4,
            "elements": [
                "La",
                "Al",
                "Ge",
                "O"
            ],
            "chemical_system": "Al-Ge-La-O",
            "density": 4.983073056830924,
            "density_atomic": 0.07800695959736254,
            "volume": 564.05223619929,
            "volume_molar": 7.720004459965663,
            "formula_full": "La4 Al4 Ge8 O28",
            "formula_reduced": "LaAlGe2O7",
            "formula_anonymous": "ABC2D7",
            "energy": -336.94690123,
            "energy_per_atom": -7.6578841188636355,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -317.71090123,
            "band_gap": 3.5206000000000004,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0031284,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:46.248000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-1075953",
            "created_at": "2022-09-04T14:45:40.749566Z",
            "structure_string": "K5 Na3 Ta5 Nb3 O24\n1.0\n-8.038554 0.000000 0.000000\n-0.000212 -8.039195 0.000000\n-0.000198 -0.000173 8.039985\nK Na Ta Nb O\n5 3 5 3 24\ndirect\n0.749954 0.749950 0.250142 K\n0.749959 0.749952 0.749861 K\n0.749954 0.250051 0.250135 K\n0.749954 0.250037 0.749860 K\n0.250054 0.250052 0.749863 K\n0.250006 0.749992 0.250024 Na\n0.250006 0.749993 0.749975 Na\n0.250006 0.250007 0.250024 Na\n0.000714 0.999764 0.000234 Ta\n0.499281 0.999764 0.000240 Ta\n0.000723 0.999761 0.499762 Ta\n0.000711 0.500236 0.000240 Ta\n0.499286 0.500236 0.000238 Ta\n0.499310 0.999769 0.499771 Nb\n0.000708 0.500229 0.499771 Nb\n0.499285 0.500234 0.499773 Nb\n0.001493 0.750081 0.000070 O\n0.498504 0.750008 0.000070 O\n0.001492 0.751055 0.499933 O\n0.498524 0.750077 0.499936 O\n0.000863 0.249918 0.000719 O\n0.499136 0.249993 0.000722 O\n0.000856 0.248935 0.499280 O\n0.499158 0.249920 0.499288 O\n0.001496 0.999929 0.249838 O\n0.498512 0.999935 0.248859 O\n0.000864 0.999280 0.750168 O\n0.499145 0.999283 0.751156 O\n0.001488 0.500067 0.248859 O\n0.498508 0.500066 0.248791 O\n0.000853 0.500716 0.751155 O\n0.499145 0.500719 0.751225 O\n0.750084 0.999926 0.000073 O\n0.249924 0.999295 0.000705 O\n0.751075 0.999932 0.499930 O\n0.248962 0.999294 0.499294 O\n0.750006 0.500074 0.000071 O\n0.249993 0.500707 0.000708 O\n0.750082 0.500067 0.499934 O\n0.249925 0.500700 0.499302 O\n",
            "nsites": 40,
            "nelements": 5,
            "elements": [
                "K",
                "Na",
                "Ta",
                "Nb",
                "O"
            ],
            "chemical_system": "K-Na-Nb-O-Ta",
            "density": 5.854722265601164,
            "density_atomic": 0.07698644331500581,
            "volume": 519.5719957646543,
            "volume_molar": 7.82233923362218,
            "formula_full": "K5 Na3 Ta5 Nb3 O24",
            "formula_reduced": "K5Na3Ta5Nb3O24",
            "formula_anonymous": "A3B3C5D5E24",
            "energy": -336.94778971,
            "energy_per_atom": -8.42369474275,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -320.45978971,
            "band_gap": 1.6022,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 1.34e-05,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:13.824000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-1205010",
            "created_at": "2022-09-04T14:41:45.720335Z",
            "structure_string": "Pu8 B24 Os4\n1.0\n0.000000 0.000000 3.572945\n9.307444 0.000000 0.000000\n0.000000 11.334065 0.000000\nPu B Os\n8 24 4\ndirect\n0.000000 0.338500 0.406745 Pu\n0.000000 0.661500 0.593255 Pu\n0.000000 0.838500 0.093255 Pu\n0.000000 0.161500 0.906745 Pu\n0.000000 0.959935 0.404481 Pu\n0.000000 0.040065 0.595519 Pu\n0.000000 0.459935 0.095519 Pu\n0.000000 0.540065 0.904481 Pu\n0.500000 0.551934 0.431049 B\n0.500000 0.448066 0.568951 B\n0.500000 0.051934 0.068951 B\n0.500000 0.948066 0.931049 B\n0.500000 0.742969 0.423251 B\n0.500000 0.257031 0.576749 B\n0.500000 0.242969 0.076749 B\n0.500000 0.757031 0.923251 B\n0.500000 0.805851 0.274315 B\n0.500000 0.194149 0.725685 B\n0.500000 0.305851 0.225685 B\n0.500000 0.694149 0.774315 B\n0.500000 0.645978 0.187685 B\n0.500000 0.354022 0.812315 B\n0.500000 0.145978 0.312315 B\n0.500000 0.854022 0.687685 B\n0.500000 0.987974 0.221688 B\n0.500000 0.012026 0.778312 B\n0.500000 0.487974 0.278312 B\n0.500000 0.512026 0.721688 B\n0.500000 0.644461 0.039521 B\n0.500000 0.355539 0.960479 B\n0.500000 0.144461 0.460479 B\n0.500000 0.855539 0.539521 B\n0.000000 0.646612 0.318726 Os\n0.000000 0.353388 0.681274 Os\n0.000000 0.146612 0.181274 Os\n0.000000 0.853388 0.818726 Os\n",
            "nsites": 36,
            "nelements": 3,
            "elements": [
                "Pu",
                "B",
                "Os"
            ],
            "chemical_system": "B-Os-Pu",
            "density": 13.095182356273984,
            "density_atomic": 0.09551246179382311,
            "volume": 376.9141672602994,
            "volume_molar": 6.305083804665851,
            "formula_full": "Pu8 B24 Os4",
            "formula_reduced": "Pu2B6Os",
            "formula_anonymous": "AB2C6",
            "energy": -336.94803518,
            "energy_per_atom": -9.359667643888889,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -336.94803518,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 27.7373325,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:26.857000Z",
            "spacegroup": 55
        }
    ]
}