GET /third-parties/MatprojStructure/?format=api&ordering=formation_energy_per_atom&page=104
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=formation_energy_per_atom&page=105",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formation_energy_per_atom&page=103",
    "results": [
        {
            "id": "mp-759323",
            "created_at": "2022-09-04T14:42:01.456735Z",
            "structure_string": "Na10 Fe4 P4 C4 O28\n1.0\n6.644183 0.000000 0.000000\n0.000000 10.390821 0.000000\n0.000000 5.149031 9.104637\nNa Fe P C O\n10 4 4 4 28\ndirect\n0.258424 0.093261 0.819047 Na\n0.249627 0.589911 0.334935 Na\n0.000304 0.751692 0.987982 Na\n0.497227 0.754030 0.985725 Na\n0.018837 0.235003 0.497058 Na\n0.997227 0.245970 0.014275 Na\n0.500304 0.248308 0.012018 Na\n0.518837 0.764997 0.502942 Na\n0.758424 0.906739 0.180953 Na\n0.749627 0.410089 0.665065 Na\n0.744666 0.461310 0.186487 Fe\n0.742043 0.972357 0.676206 Fe\n0.244666 0.538690 0.813513 Fe\n0.242043 0.027643 0.323794 Fe\n0.247591 0.397694 0.182559 P\n0.250123 0.890823 0.689847 P\n0.747591 0.602306 0.817441 P\n0.750123 0.109177 0.310153 P\n0.756290 0.083966 0.860240 C\n0.745878 0.581681 0.346603 C\n0.256290 0.916034 0.139760 C\n0.245878 0.418319 0.653397 C\n0.248318 0.851761 0.060422 O\n0.229914 0.362858 0.570020 O\n0.744892 0.663701 0.202591 O\n0.766622 0.162059 0.718067 O\n0.752510 0.940613 0.921541 O\n0.762421 0.438794 0.397121 O\n0.435475 0.484473 0.190771 O\n0.059930 0.485148 0.190434 O\n0.434630 0.958806 0.725135 O\n0.063942 0.971721 0.705258 O\n0.748869 0.602094 0.967500 O\n0.763257 0.111276 0.454587 O\n0.240105 0.722437 0.819894 O\n0.240567 0.237841 0.306655 O\n0.740105 0.277563 0.180106 O\n0.740567 0.762159 0.693345 O\n0.248869 0.397906 0.032500 O\n0.263257 0.888724 0.545413 O\n0.935475 0.515527 0.809229 O\n0.559930 0.514852 0.809566 O\n0.563942 0.028279 0.294742 O\n0.934630 0.041194 0.274865 O\n0.252510 0.059387 0.078459 O\n0.262421 0.561206 0.602879 O\n0.244892 0.336299 0.797409 O\n0.266622 0.837941 0.281933 O\n0.748318 0.148239 0.939578 O\n0.729914 0.637142 0.429980 O\n",
            "nsites": 50,
            "nelements": 5,
            "elements": [
                "Na",
                "Fe",
                "P",
                "C",
                "O"
            ],
            "chemical_system": "C-Fe-Na-O-P",
            "density": 2.835144297088467,
            "density_atomic": 0.07954555567755792,
            "volume": 628.5706294224359,
            "volume_molar": 7.570681615967413,
            "formula_full": "Na10 Fe4 P4 C4 O28",
            "formula_reduced": "Na5Fe2P2(CO7)2",
            "formula_anonymous": "A2B2C2D5E14",
            "energy": -357.014398,
            "energy_per_atom": -7.14028796,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -328.754398,
            "band_gap": 1.2073999999999998,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 17.9999243,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:35.824000Z",
            "spacegroup": 4
        },
        {
            "id": "mp-1046115",
            "created_at": "2022-09-04T14:42:01.462333Z",
            "structure_string": "Ta8 Zn8 Fe4 O32\n1.0\n-0.006983 5.685872 -1.751339\n-10.624990 -0.023957 -0.009871\n-5.257613 5.684196 8.439281\nTa Zn Fe O\n8 8 4 32\ndirect\n0.041866 0.017840 0.230478 Ta\n0.040830 0.517832 0.230838 Ta\n0.271898 0.732309 0.768655 Ta\n0.272262 0.232349 0.768670 Ta\n0.958252 0.982342 0.768619 Ta\n0.957652 0.481849 0.769029 Ta\n0.728269 0.267671 0.230650 Ta\n0.728048 0.767612 0.231224 Ta\n0.870418 0.832960 0.563167 Zn\n0.870339 0.332947 0.563309 Zn\n0.436024 0.917826 0.434899 Zn\n0.435774 0.417675 0.434966 Zn\n0.128962 0.167277 0.435927 Zn\n0.128681 0.667163 0.436289 Zn\n0.564277 0.082797 0.563781 Zn\n0.564098 0.582625 0.564072 Zn\n0.646669 0.626428 0.000600 Fe\n0.352790 0.875940 0.000496 Fe\n0.647069 0.125607 0.000457 Fe\n0.352067 0.376228 0.000562 Fe\n0.045246 0.395602 0.138810 O\n0.046069 0.894354 0.139699 O\n0.180894 0.854642 0.858766 O\n0.180827 0.354278 0.859043 O\n0.959558 0.604264 0.858931 O\n0.960038 0.104636 0.858676 O\n0.814442 0.144420 0.139471 O\n0.814265 0.645057 0.139224 O\n0.311762 0.144316 0.118994 O\n0.310992 0.644235 0.119845 O\n0.437164 0.610332 0.881392 O\n0.439203 0.110527 0.880043 O\n0.680329 0.860931 0.880363 O\n0.680232 0.359556 0.880728 O\n0.568679 0.393712 0.119208 O\n0.569667 0.894269 0.119207 O\n0.926956 0.106895 0.354068 O\n0.926012 0.606664 0.354569 O\n0.281312 0.143354 0.644411 O\n0.281250 0.643174 0.644637 O\n0.719734 0.856738 0.354506 O\n0.719497 0.356686 0.354220 O\n0.072076 0.893081 0.644733 O\n0.072143 0.393285 0.644659 O\n0.456049 0.126988 0.386638 O\n0.455677 0.626972 0.386701 O\n0.843726 0.123997 0.611296 O\n0.843428 0.623752 0.611762 O\n0.543137 0.873747 0.611685 O\n0.543131 0.373930 0.611363 O\n0.157621 0.876844 0.386705 O\n0.157264 0.376864 0.386699 O\n",
            "nsites": 52,
            "nelements": 4,
            "elements": [
                "Ta",
                "Zn",
                "Fe",
                "O"
            ],
            "chemical_system": "Fe-O-Ta-Zn",
            "density": 7.293616950071366,
            "density_atomic": 0.08439850728157698,
            "volume": 616.1246410023992,
            "volume_molar": 7.135364065040223,
            "formula_full": "Ta8 Zn8 Fe4 O32",
            "formula_reduced": "Ta2Zn2FeO8",
            "formula_anonymous": "AB2C2D8",
            "energy": -431.87801206,
            "energy_per_atom": -8.30534638576923,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -400.87001206,
            "band_gap": 2.6681000000000004,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 15.998994,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:35.894000Z",
            "spacegroup": 15
        },
        {
            "id": "mp-998361",
            "created_at": "2022-09-04T14:42:28.849091Z",
            "structure_string": "Ba1 Hf1 S3\n1.0\n2.893154 -5.011090 0.000000\n2.893154 5.011090 0.000000\n0.000000 0.000000 4.091538\nBa Hf S\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Hf\n0.500000 0.500000 0.000000 S\n0.500000 0.000000 0.500000 S\n0.000000 0.500000 0.500000 S\n",
            "nsites": 5,
            "nelements": 3,
            "elements": [
                "Ba",
                "Hf",
                "S"
            ],
            "chemical_system": "Ba-Hf-S",
            "density": 5.7668495824796535,
            "density_atomic": 0.042145350061941436,
            "volume": 118.6370499391143,
            "volume_molar": 14.288980281689915,
            "formula_full": "Ba1 Hf1 S3",
            "formula_reduced": "BaHfS3",
            "formula_anonymous": "ABC3",
            "energy": -27.13260831,
            "energy_per_atom": -5.426521662,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -25.62360831,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.4779224,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:48.350000Z",
            "spacegroup": 65
        },
        {
            "id": "mp-1179996",
            "created_at": "2022-09-04T14:42:01.459508Z",
            "structure_string": "P8 Pb4 O36\n1.0\n5.107963 0.000000 0.000000\n0.000000 9.008409 0.000000\n0.000000 6.175333 15.202468\nP Pb O\n8 4 36\ndirect\n0.260030 0.001134 0.116649 P\n0.239970 0.001134 0.616649 P\n0.739970 0.998866 0.883351 P\n0.760030 0.998866 0.383351 P\n0.734321 0.519515 0.111370 P\n0.765679 0.519515 0.611370 P\n0.265679 0.480485 0.888630 P\n0.234321 0.480485 0.388630 P\n0.767176 0.247742 0.010072 Pb\n0.732824 0.247742 0.510072 Pb\n0.232824 0.752258 0.989928 Pb\n0.267176 0.752258 0.489928 Pb\n0.367377 0.890634 0.071177 O\n0.132623 0.890634 0.571177 O\n0.632623 0.109366 0.928823 O\n0.867377 0.109366 0.428823 O\n0.961519 0.036590 0.100154 O\n0.538481 0.036590 0.600154 O\n0.038481 0.963410 0.899846 O\n0.461519 0.963410 0.399846 O\n0.409914 0.162176 0.087678 O\n0.090086 0.162176 0.587678 O\n0.590086 0.837824 0.912322 O\n0.909914 0.837824 0.412322 O\n0.303982 0.896840 0.214971 O\n0.196018 0.896840 0.714971 O\n0.696018 0.103160 0.785029 O\n0.803982 0.103160 0.285029 O\n0.891453 0.678573 0.077129 O\n0.608547 0.678573 0.577129 O\n0.108547 0.321427 0.922871 O\n0.391453 0.321427 0.422871 O\n0.444237 0.545739 0.080171 O\n0.055763 0.545739 0.580171 O\n0.555763 0.454261 0.919829 O\n0.944237 0.454261 0.419829 O\n0.871131 0.389038 0.086733 O\n0.628869 0.389038 0.586733 O\n0.128869 0.610962 0.913267 O\n0.371131 0.610962 0.413267 O\n0.734385 0.451532 0.215792 O\n0.765615 0.451532 0.715792 O\n0.265615 0.548468 0.784208 O\n0.234385 0.548468 0.284208 O\n0.337365 0.361965 0.240857 O\n0.162635 0.361965 0.740857 O\n0.662635 0.638035 0.759143 O\n0.837365 0.638035 0.259143 O\n",
            "nsites": 48,
            "nelements": 3,
            "elements": [
                "P",
                "Pb",
                "O"
            ],
            "chemical_system": "O-P-Pb",
            "density": 3.92282225282736,
            "density_atomic": 0.06861693277585187,
            "volume": 699.535785966995,
            "volume_molar": 8.776464520313493,
            "formula_full": "P8 Pb4 O36",
            "formula_reduced": "P2PbO9",
            "formula_anonymous": "AB2C9",
            "energy": -313.03172037,
            "energy_per_atom": -6.521494174375,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -288.29972037,
            "band_gap": 0.3312,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 16.0115825,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:34.397000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-5920",
            "created_at": "2022-09-04T14:42:01.472269Z",
            "structure_string": "Li1 Al1 Ge1\n1.0\n0.000000 3.009527 3.009527\n3.009527 0.000000 3.009527\n3.009527 3.009527 0.000000\nLi Al Ge\n1 1 1\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Al\n0.250000 0.250000 0.250000 Ge\n",
            "nsites": 3,
            "nelements": 3,
            "elements": [
                "Li",
                "Al",
                "Ge"
            ],
            "chemical_system": "Al-Ge-Li",
            "density": 3.2458536020659188,
            "density_atomic": 0.05502962168944333,
            "volume": 54.51609347653408,
            "volume_molar": 10.943452953366867,
            "formula_full": "Li1 Al1 Ge1",
            "formula_reduced": "LiAlGe",
            "formula_anonymous": "ABC",
            "energy": -11.15155156,
            "energy_per_atom": -3.7171838533333332,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -11.15155156,
            "band_gap": 0.0526999999999997,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0009933,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:37.828000Z",
            "spacegroup": 216
        },
        {
            "id": "mp-758819",
            "created_at": "2022-09-04T14:42:01.486598Z",
            "structure_string": "Li12 V8 P8 O32 F12\n1.0\n8.922930 0.000000 0.000000\n0.000000 9.210067 0.000000\n0.000000 0.000000 10.507159\nLi V P O F\n12 8 8 32 12\ndirect\n0.036920 0.282345 0.500000 Li\n0.062081 0.814199 0.000000 Li\n0.230967 0.492834 0.000000 Li\n0.269033 0.992834 0.500000 Li\n0.437919 0.314199 0.500000 Li\n0.463080 0.782345 0.000000 Li\n0.536920 0.217655 0.000000 Li\n0.562081 0.685801 0.500000 Li\n0.730967 0.007166 0.500000 Li\n0.769033 0.507166 0.000000 Li\n0.937919 0.185801 0.000000 Li\n0.963080 0.717655 0.500000 Li\n0.250976 0.248983 0.185344 V\n0.250976 0.248983 0.814656 V\n0.249024 0.748983 0.314656 V\n0.249024 0.748983 0.685344 V\n0.750976 0.251017 0.314656 V\n0.750976 0.251017 0.685344 V\n0.749024 0.751017 0.814656 V\n0.749024 0.751017 0.185344 V\n0.000000 0.000000 0.274623 P\n0.000000 0.500000 0.263660 P\n0.000000 0.000000 0.725377 P\n0.000000 0.500000 0.736340 P\n0.500000 0.500000 0.225377 P\n0.500000 0.000000 0.236340 P\n0.500000 0.000000 0.763660 P\n0.500000 0.500000 0.774623 P\n0.076532 0.613071 0.647571 O\n0.076532 0.613071 0.352429 O\n0.090956 0.099444 0.816457 O\n0.090956 0.099444 0.183543 O\n0.098532 0.906819 0.636449 O\n0.098532 0.906819 0.363551 O\n0.113631 0.423583 0.823908 O\n0.113631 0.423583 0.176092 O\n0.386369 0.923583 0.676092 O\n0.386369 0.923583 0.323908 O\n0.401468 0.406819 0.136449 O\n0.401468 0.406819 0.863551 O\n0.409044 0.599444 0.683543 O\n0.409044 0.599444 0.316457 O\n0.423468 0.113071 0.852429 O\n0.423468 0.113071 0.147571 O\n0.576532 0.886929 0.147571 O\n0.576532 0.886929 0.852429 O\n0.590956 0.400556 0.683543 O\n0.590956 0.400556 0.316457 O\n0.598532 0.593181 0.863551 O\n0.598532 0.593181 0.136449 O\n0.613631 0.076417 0.676092 O\n0.613631 0.076417 0.323908 O\n0.886369 0.576417 0.176092 O\n0.886369 0.576417 0.823908 O\n0.901468 0.093181 0.636449 O\n0.901468 0.093181 0.363551 O\n0.909044 0.900556 0.183543 O\n0.909044 0.900556 0.816457 O\n0.923468 0.386929 0.647571 O\n0.923468 0.386929 0.352429 O\n0.277294 0.247338 0.375930 F\n0.277294 0.247338 0.624070 F\n0.199181 0.250798 0.000000 F\n0.300819 0.750798 0.500000 F\n0.222706 0.747338 0.875930 F\n0.222706 0.747338 0.124070 F\n0.777294 0.252662 0.875930 F\n0.777294 0.252662 0.124070 F\n0.699181 0.249202 0.500000 F\n0.800819 0.749202 0.000000 F\n0.722706 0.752662 0.624070 F\n0.722706 0.752662 0.375930 F\n",
            "nsites": 72,
            "nelements": 5,
            "elements": [
                "Li",
                "V",
                "P",
                "O",
                "F"
            ],
            "chemical_system": "F-Li-O-P-V",
            "density": 2.8433943241299255,
            "density_atomic": 0.08338288485203826,
            "volume": 863.4865551577278,
            "volume_molar": 7.222274416010196,
            "formula_full": "Li12 V8 P8 O32 F12",
            "formula_reduced": "Li3V2P2O8F3",
            "formula_anonymous": "A2B2C3D3E8",
            "energy": -522.81048421,
            "energy_per_atom": -7.261256725138889,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -481.68248421,
            "band_gap": 1.9919,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 16.0007022,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:31.977000Z",
            "spacegroup": 58
        },
        {
            "id": "mp-619206",
            "created_at": "2022-09-04T14:42:01.489618Z",
            "structure_string": "Sr2 Ca4 In4 Ge2\n1.0\n2.446506 -6.116846 0.000000\n2.446506 6.116846 0.000000\n0.000000 0.000000 14.177819\nSr Ca In Ge\n2 4 4 2\ndirect\n0.339250 0.660750 0.250000 Sr\n0.660750 0.339250 0.750000 Sr\n0.629569 0.370431 0.404866 Ca\n0.629569 0.370431 0.095134 Ca\n0.370431 0.629569 0.595134 Ca\n0.370431 0.629569 0.904866 Ca\n0.084844 0.915156 0.580611 In\n0.915156 0.084844 0.419389 In\n0.915156 0.084844 0.080611 In\n0.084844 0.915156 0.919389 In\n0.059247 0.940753 0.250000 Ge\n0.940753 0.059247 0.750000 Ge\n",
            "nsites": 12,
            "nelements": 4,
            "elements": [
                "Sr",
                "Ca",
                "In",
                "Ge"
            ],
            "chemical_system": "Ca-Ge-In-Sr",
            "density": 3.6788471399991756,
            "density_atomic": 0.028279256745110663,
            "volume": 424.3392995848357,
            "volume_molar": 21.295258267497417,
            "formula_full": "Sr2 Ca4 In4 Ge2",
            "formula_reduced": "SrCa2In2Ge",
            "formula_anonymous": "ABC2D2",
            "energy": -36.75454364,
            "energy_per_atom": -3.062878636666667,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -36.75454364,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0017929,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:32.550000Z",
            "spacegroup": 63
        },
        {
            "id": "mp-1194957",
            "created_at": "2022-09-04T14:42:01.492994Z",
            "structure_string": "Hg4 Te8 Xe6 O8 F52\n1.0\n18.605830 0.000000 0.000000\n0.000000 9.419066 0.000000\n0.000000 5.484831 8.654988\nHg Te Xe O F\n4 8 6 8 52\ndirect\n0.392622 0.063039 0.958162 Hg\n0.107378 0.063039 0.458162 Hg\n0.607378 0.936961 0.041838 Hg\n0.892622 0.936961 0.541838 Hg\n0.252725 0.338412 0.936708 Te\n0.247275 0.338412 0.436708 Te\n0.747275 0.661588 0.063292 Te\n0.752725 0.661588 0.563292 Te\n0.453351 0.833997 0.797566 Te\n0.046649 0.833997 0.297566 Te\n0.546649 0.166003 0.202434 Te\n0.953351 0.166003 0.702434 Te\n0.309697 0.849012 0.407474 Xe\n0.190303 0.849012 0.907474 Xe\n0.690303 0.150988 0.592526 Xe\n0.809697 0.150988 0.092526 Xe\n0.500000 0.500000 0.500000 Xe\n0.000000 0.500000 0.000000 Xe\n0.325438 0.178140 0.034667 O\n0.174562 0.178140 0.534667 O\n0.674562 0.821860 0.965333 O\n0.825438 0.821860 0.465333 O\n0.468632 0.934214 0.912298 O\n0.031368 0.934214 0.412298 O\n0.531368 0.065786 0.087702 O\n0.968632 0.065786 0.587702 O\n0.393606 0.842950 0.275439 F\n0.106394 0.842950 0.775439 F\n0.606394 0.157050 0.724561 F\n0.893606 0.157050 0.224561 F\n0.226733 0.856702 0.539589 F\n0.273267 0.856702 0.039589 F\n0.773267 0.143298 0.460411 F\n0.726733 0.143298 0.960411 F\n0.457175 0.340266 0.719898 F\n0.042825 0.340266 0.219898 F\n0.542825 0.659734 0.280102 F\n0.957175 0.659734 0.780102 F\n0.292400 0.476583 0.999503 F\n0.207600 0.476583 0.499503 F\n0.707600 0.523417 0.000497 F\n0.792400 0.523417 0.500497 F\n0.201960 0.220292 0.864555 F\n0.298040 0.220292 0.364555 F\n0.798040 0.779708 0.135445 F\n0.701960 0.779708 0.635445 F\n0.300635 0.466835 0.745116 F\n0.199365 0.466835 0.245116 F\n0.699365 0.533165 0.254884 F\n0.800635 0.533165 0.754884 F\n0.197114 0.229654 0.119370 F\n0.302886 0.229654 0.619370 F\n0.802886 0.770346 0.880630 F\n0.697114 0.770346 0.380630 F\n0.177796 0.496933 0.849836 F\n0.322204 0.496933 0.349836 F\n0.822204 0.503067 0.150164 F\n0.677796 0.503067 0.650164 F\n0.352190 0.861294 0.786617 F\n0.147810 0.861294 0.286617 F\n0.647810 0.138706 0.213383 F\n0.852190 0.138706 0.713383 F\n0.552392 0.801205 0.792133 F\n0.947608 0.801205 0.292133 F\n0.447608 0.198795 0.207867 F\n0.052392 0.198795 0.707867 F\n0.441159 0.730018 0.685104 F\n0.058841 0.730018 0.185104 F\n0.558841 0.269982 0.314896 F\n0.941159 0.269982 0.814896 F\n0.459687 0.038513 0.604643 F\n0.040313 0.038513 0.104643 F\n0.540313 0.961487 0.395357 F\n0.959687 0.961487 0.895357 F\n0.443903 0.619453 0.976894 F\n0.056097 0.619453 0.476894 F\n0.556097 0.380547 0.023106 F\n0.943903 0.380547 0.523106 F\n",
            "nsites": 78,
            "nelements": 5,
            "elements": [
                "Hg",
                "Te",
                "Xe",
                "O",
                "F"
            ],
            "chemical_system": "F-Hg-O-Te-Xe",
            "density": 4.08004864451602,
            "density_atomic": 0.05142463810250738,
            "volume": 1516.782672238132,
            "volume_molar": 11.710613787880739,
            "formula_full": "Hg4 Te8 Xe6 O8 F52",
            "formula_reduced": "Hg2Te4Xe3(O2F13)2",
            "formula_anonymous": "A2B3C4D4E26",
            "energy": -306.61291375,
            "energy_per_atom": -3.930934791666667,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -277.09291375,
            "band_gap": 2.5668,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0094169,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:32.782000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-722288",
            "created_at": "2022-09-04T14:42:01.495284Z",
            "structure_string": "K2 Co1 H4 Se2 O10\n1.0\n6.673136 0.000000 0.000000\n-2.857423 7.123183 0.000000\n-1.476885 -1.250802 5.254325\nK Co H Se O\n2 1 4 2 10\ndirect\n0.257452 0.282800 0.678970 K\n0.742548 0.717200 0.321030 K\n0.000000 0.000000 0.000000 Co\n0.625274 0.839230 0.868185 H\n0.374726 0.160770 0.131815 H\n0.689778 0.134954 0.982543 H\n0.310222 0.865046 0.017457 H\n0.772078 0.360628 0.693145 Se\n0.227922 0.639372 0.306855 Se\n0.909467 0.143592 0.728927 O\n0.090533 0.856408 0.271073 O\n0.921592 0.637558 0.747257 O\n0.078408 0.362442 0.252743 O\n0.661969 0.393490 0.870831 O\n0.338031 0.606510 0.129169 O\n0.616448 0.262391 0.420641 O\n0.383552 0.737609 0.579359 O\n0.722008 0.974386 0.006723 O\n0.277992 0.025614 0.993277 O\n",
            "nsites": 19,
            "nelements": 5,
            "elements": [
                "K",
                "Co",
                "H",
                "Se",
                "O"
            ],
            "chemical_system": "Co-H-K-O-Se",
            "density": 3.0521948522476032,
            "density_atomic": 0.07607335869520537,
            "volume": 249.75892120295592,
            "volume_molar": 7.916228313420785,
            "formula_full": "K2 Co1 H4 Se2 O10",
            "formula_reduced": "K2CoH4(SeO5)2",
            "formula_anonymous": "AB2C2D4E10",
            "energy": -89.84555542,
            "energy_per_atom": -4.728713443157894,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -81.33755542,
            "band_gap": 0.3138999999999999,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 3.0006941,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:37.511000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-1037845",
            "created_at": "2022-09-04T14:42:01.611356Z",
            "structure_string": "Hf1 Mg30 Mn1 O32\n1.0\n8.622420 0.000000 0.000000\n0.000000 8.622420 0.000000\n0.000000 0.000000 8.573339\nHf Mg Mn O\n1 30 1 32\ndirect\n0.500000 0.500000 0.000000 Hf\n0.500000 0.000000 0.000000 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.247174 0.247174 0.000000 Mg\n0.752826 0.247174 0.000000 Mg\n0.247174 0.752826 0.000000 Mg\n0.752826 0.752826 0.000000 Mg\n0.248800 0.248800 0.500000 Mg\n0.751200 0.248800 0.500000 Mg\n0.248800 0.751200 0.500000 Mg\n0.751200 0.751200 0.500000 Mg\n0.249871 0.000000 0.251537 Mg\n0.750129 0.000000 0.251537 Mg\n0.243430 0.500000 0.254251 Mg\n0.756570 0.500000 0.254251 Mg\n0.249871 0.000000 0.748463 Mg\n0.750129 0.000000 0.748463 Mg\n0.243430 0.500000 0.745749 Mg\n0.756570 0.500000 0.745749 Mg\n0.000000 0.249871 0.251537 Mg\n0.500000 0.243430 0.254251 Mg\n0.000000 0.750129 0.251537 Mg\n0.500000 0.756570 0.254251 Mg\n0.000000 0.249871 0.748463 Mg\n0.500000 0.243430 0.745749 Mg\n0.000000 0.750129 0.748463 Mg\n0.500000 0.756570 0.745749 Mg\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.257024 O\n0.500000 0.000000 0.252300 O\n0.000000 0.500000 0.252300 O\n0.500000 0.500000 0.246217 O\n0.000000 0.000000 0.742976 O\n0.500000 0.000000 0.747700 O\n0.000000 0.500000 0.747700 O\n0.500000 0.500000 0.753783 O\n0.250469 0.250469 0.250190 O\n0.749531 0.250469 0.250190 O\n0.250469 0.749531 0.250190 O\n0.749531 0.749531 0.250190 O\n0.250469 0.250469 0.749810 O\n0.749531 0.250469 0.749810 O\n0.250469 0.749531 0.749810 O\n0.749531 0.749531 0.749810 O\n0.256377 0.000000 0.000000 O\n0.743623 0.000000 0.000000 O\n0.243707 0.500000 0.000000 O\n0.756293 0.500000 0.000000 O\n0.251342 0.000000 0.500000 O\n0.748658 0.000000 0.500000 O\n0.251771 0.500000 0.500000 O\n0.748229 0.500000 0.500000 O\n0.000000 0.256377 0.000000 O\n0.500000 0.243707 0.000000 O\n0.000000 0.743623 0.000000 O\n0.500000 0.756293 0.000000 O\n0.000000 0.251342 0.500000 O\n0.500000 0.251771 0.500000 O\n0.000000 0.748658 0.500000 O\n0.500000 0.748229 0.500000 O\n",
            "nsites": 64,
            "nelements": 4,
            "elements": [
                "Hf",
                "Mg",
                "Mn",
                "O"
            ],
            "chemical_system": "Hf-Mg-Mn-O",
            "density": 3.8415179091574077,
            "density_atomic": 0.10040876610089401,
            "volume": 637.3945471622538,
            "volume_molar": 5.99762450416805,
            "formula_full": "Hf1 Mg30 Mn1 O32",
            "formula_reduced": "HfMg30MnO32",
            "formula_anonymous": "ABC30D32",
            "energy": -414.5479168,
            "energy_per_atom": -6.4773112,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -390.8959168,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 6.0933493,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:45.519000Z",
            "spacegroup": 123
        },
        {
            "id": "mp-554028",
            "created_at": "2022-09-04T14:42:01.469519Z",
            "structure_string": "Na40 Li8 Mn16 O64\n1.0\n10.561257 0.000000 0.000000\n0.000000 10.616627 0.000000\n0.000000 0.000000 15.210521\nNa Li Mn O\n40 8 16 64\ndirect\n0.777786 0.006635 0.503987 Na\n0.757782 0.244630 0.896287 Na\n0.483085 0.291551 0.250000 Na\n0.723458 0.762436 0.362248 Na\n0.242218 0.755370 0.396287 Na\n0.276542 0.237564 0.637752 Na\n0.722214 0.506635 0.996013 Na\n0.277786 0.493365 0.003987 Na\n0.722214 0.506635 0.503987 Na\n0.570978 0.231129 0.750000 Na\n0.276542 0.237564 0.862248 Na\n0.518733 0.009790 0.112476 Na\n0.981267 0.509790 0.387524 Na\n0.757782 0.244630 0.603713 Na\n0.777786 0.006635 0.996013 Na\n0.723458 0.762436 0.137752 Na\n0.776542 0.262436 0.362248 Na\n0.018733 0.490210 0.612476 Na\n0.257782 0.255370 0.396287 Na\n0.929022 0.731129 0.750000 Na\n0.481267 0.990210 0.612476 Na\n0.516915 0.708449 0.750000 Na\n0.223458 0.737564 0.637752 Na\n0.222214 0.993365 0.496013 Na\n0.518733 0.009790 0.387524 Na\n0.742218 0.744630 0.896287 Na\n0.018733 0.490210 0.887524 Na\n0.257782 0.255370 0.103713 Na\n0.742218 0.744630 0.603713 Na\n0.429022 0.768871 0.250000 Na\n0.070978 0.268871 0.250000 Na\n0.981267 0.509790 0.112476 Na\n0.983085 0.208449 0.750000 Na\n0.776542 0.262436 0.137752 Na\n0.223458 0.737564 0.862248 Na\n0.242218 0.755370 0.103713 Na\n0.481267 0.990210 0.887524 Na\n0.222214 0.993365 0.003987 Na\n0.277786 0.493365 0.496013 Na\n0.016915 0.791551 0.250000 Na\n0.002340 0.987310 0.860115 Li\n0.997660 0.012690 0.139885 Li\n0.002340 0.987310 0.639885 Li\n0.502340 0.512690 0.139885 Li\n0.497660 0.487310 0.860115 Li\n0.497660 0.487310 0.639885 Li\n0.997660 0.012690 0.360115 Li\n0.502340 0.512690 0.360115 Li\n0.493834 0.748053 0.499461 Mn\n0.506166 0.251947 0.999461 Mn\n0.493834 0.748053 0.000539 Mn\n0.254297 0.020709 0.250000 Mn\n0.228696 0.492918 0.750000 Mn\n0.506166 0.251947 0.500539 Mn\n0.006166 0.248053 0.000539 Mn\n0.006166 0.248053 0.499461 Mn\n0.754297 0.479291 0.750000 Mn\n0.271304 0.992918 0.750000 Mn\n0.993834 0.751947 0.999461 Mn\n0.245703 0.520709 0.250000 Mn\n0.745703 0.979291 0.750000 Mn\n0.771304 0.507082 0.250000 Mn\n0.728696 0.007082 0.250000 Mn\n0.993834 0.751947 0.500539 Mn\n0.114954 0.610405 0.750000 O\n0.683307 0.047310 0.842473 O\n0.614954 0.889595 0.250000 O\n0.111845 0.640424 0.988031 O\n0.449749 0.363435 0.071744 O\n0.949749 0.136565 0.571744 O\n0.459337 0.680885 0.399357 O\n0.288647 0.180379 0.250000 O\n0.611845 0.859576 0.488031 O\n0.385046 0.110405 0.750000 O\n0.860787 0.676384 0.464128 O\n0.815801 0.987915 0.155622 O\n0.050251 0.863435 0.071744 O\n0.816693 0.547310 0.842473 O\n0.183307 0.452690 0.157527 O\n0.316693 0.952690 0.157527 O\n0.139213 0.323616 0.535872 O\n0.347220 0.849596 0.750000 O\n0.639213 0.176384 0.035872 O\n0.139213 0.323616 0.964128 O\n0.816693 0.547310 0.657527 O\n0.050251 0.863435 0.428256 O\n0.550251 0.636565 0.928256 O\n0.316693 0.952690 0.342473 O\n0.684199 0.487915 0.155622 O\n0.550251 0.636565 0.571744 O\n0.847220 0.650404 0.250000 O\n0.908824 0.998338 0.750000 O\n0.459337 0.680885 0.100643 O\n0.040663 0.180885 0.399357 O\n0.949749 0.136565 0.928256 O\n0.711353 0.819621 0.750000 O\n0.111845 0.640424 0.511969 O\n0.683307 0.047310 0.657527 O\n0.888155 0.359576 0.488031 O\n0.388155 0.140424 0.511969 O\n0.888155 0.359576 0.011969 O\n0.591176 0.498338 0.750000 O\n0.959337 0.819115 0.600643 O\n0.040663 0.180885 0.100643 O\n0.788647 0.319621 0.750000 O\n0.184199 0.012085 0.844378 O\n0.885046 0.389595 0.250000 O\n0.408824 0.501662 0.250000 O\n0.360787 0.823616 0.964128 O\n0.959337 0.819115 0.899357 O\n0.815801 0.987915 0.344378 O\n0.652780 0.150404 0.250000 O\n0.684199 0.487915 0.344378 O\n0.540663 0.319115 0.600643 O\n0.639213 0.176384 0.464128 O\n0.152780 0.349596 0.750000 O\n0.183307 0.452690 0.342473 O\n0.360787 0.823616 0.535872 O\n0.860787 0.676384 0.035872 O\n0.540663 0.319115 0.899357 O\n0.449749 0.363435 0.428256 O\n0.611845 0.859576 0.011969 O\n0.184199 0.012085 0.655622 O\n0.211353 0.680379 0.250000 O\n0.091176 0.001662 0.250000 O\n0.388155 0.140424 0.988031 O\n0.315801 0.512085 0.844378 O\n0.315801 0.512085 0.655622 O\n",
            "nsites": 128,
            "nelements": 4,
            "elements": [
                "Na",
                "Li",
                "Mn",
                "O"
            ],
            "chemical_system": "Li-Mn-Na-O",
            "density": 2.802251243440578,
            "density_atomic": 0.07505224875631016,
            "volume": 1705.4785448948746,
            "volume_molar": 8.02393114102884,
            "formula_full": "Na40 Li8 Mn16 O64",
            "formula_reduced": "Na5LiMn2O8",
            "formula_anonymous": "AB2C5D8",
            "energy": -755.25379954,
            "energy_per_atom": -5.90042030890625,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -684.59779954,
            "band_gap": 1.7783999999999998,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 3.8019791,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:39.712000Z",
            "spacegroup": 62
        },
        {
            "id": "mp-756848",
            "created_at": "2022-09-04T14:42:01.495659Z",
            "structure_string": "Fe8 O14 F2\n1.0\n3.214618 6.844495 0.000000\n-3.214618 6.844495 0.000000\n0.000000 3.202055 5.832053\nFe O F\n8 14 2\ndirect\n0.243831 0.243831 0.763259 Fe\n0.756169 0.756169 0.236741 Fe\n0.000000 0.000000 0.000000 Fe\n0.875711 0.875711 0.622416 Fe\n0.374773 0.374773 0.100693 Fe\n0.124289 0.124289 0.377584 Fe\n0.625227 0.625227 0.899307 Fe\n0.500000 0.500000 0.500000 Fe\n0.556928 0.941952 0.754075 O\n0.443072 0.058048 0.245925 O\n0.941952 0.556928 0.754075 O\n0.877753 0.877753 0.311501 O\n0.882270 0.882270 0.923203 O\n0.122247 0.122247 0.688499 O\n0.802734 0.197266 0.500000 O\n0.312341 0.687659 0.000000 O\n0.058048 0.443072 0.245925 O\n0.197266 0.802734 0.500000 O\n0.687659 0.312341 0.000000 O\n0.117730 0.117730 0.076797 O\n0.374914 0.374914 0.804643 O\n0.625086 0.625086 0.195357 O\n0.371833 0.371833 0.424229 F\n0.628167 0.628167 0.575771 F\n",
            "nsites": 24,
            "nelements": 3,
            "elements": [
                "Fe",
                "O",
                "F"
            ],
            "chemical_system": "F-Fe-O",
            "density": 4.585840573049909,
            "density_atomic": 0.09351666298728815,
            "volume": 256.63875541904605,
            "volume_molar": 6.43964462335295,
            "formula_full": "Fe8 O14 F2",
            "formula_reduced": "Fe4O7F",
            "formula_anonymous": "AB4C7",
            "energy": -175.98732522,
            "energy_per_atom": -7.3328052175,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -147.39732522,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 34.0447746,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:41.270000Z",
            "spacegroup": 12
        }
    ]
}