GET /third-parties/MatprojStructure/?format=api&ordering=-energy_per_atom&page=10404
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_per_atom&page=10405",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy_per_atom&page=10403",
    "results": [
        {
            "id": "mp-1044778",
            "created_at": "2022-09-04T14:43:38.046266Z",
            "structure_string": "Pr2 Zn2 Mo4 O12\n1.0\n5.877422 0.000000 0.000000\n0.000000 5.508357 0.000000\n0.000000 5.476385 8.150292\nPr Zn Mo O\n2 2 4 12\ndirect\n0.306369 0.773395 0.248640 Pr\n0.693631 0.773395 0.748640 Pr\n0.636193 0.269764 0.253790 Zn\n0.363807 0.269764 0.753790 Zn\n0.772339 0.994728 0.002879 Mo\n0.762592 0.501214 0.497474 Mo\n0.227661 0.994728 0.502879 Mo\n0.237408 0.501214 0.997474 Mo\n0.749015 0.351958 0.753513 O\n0.059068 0.125676 0.049247 O\n0.059955 0.754591 0.439352 O\n0.543275 0.871042 0.443319 O\n0.558467 0.233480 0.065863 O\n0.287845 0.624159 0.745919 O\n0.250985 0.351958 0.253513 O\n0.940045 0.754591 0.939352 O\n0.940932 0.125676 0.549247 O\n0.456725 0.871042 0.943319 O\n0.441533 0.233480 0.565863 O\n0.712155 0.624159 0.245919 O\n",
            "nsites": 20,
            "nelements": 4,
            "elements": [
                "Pr",
                "Zn",
                "Mo",
                "O"
            ],
            "chemical_system": "Mo-O-Pr-Zn",
            "density": 6.220046114578227,
            "density_atomic": 0.0757962768772767,
            "volume": 263.8652031996559,
            "volume_molar": 7.9451669766716515,
            "formula_full": "Pr2 Zn2 Mo4 O12",
            "formula_reduced": "PrZn(MoO3)2",
            "formula_anonymous": "ABC2D6",
            "energy": -161.08779108,
            "energy_per_atom": -8.054389554,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -140.03579108,
            "band_gap": 1.1840000000000002,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 10.0000071,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:15.546000Z",
            "spacegroup": 7
        },
        {
            "id": "mp-1220213",
            "created_at": "2022-09-04T14:46:32.645358Z",
            "structure_string": "Nd1 Er1 Fe17\n1.0\n-4.256738 2.457629 4.141511\n0.000000 -4.915258 4.141511\n4.256738 2.457629 4.141511\nNd Er Fe\n1 1 17\ndirect\n0.657302 0.657302 0.657302 Nd\n0.341548 0.341548 0.341548 Er\n0.000911 0.499431 0.000911 Fe\n0.499431 0.000911 0.000911 Fe\n0.000911 0.000911 0.499431 Fe\n0.342339 0.342339 0.844862 Fe\n0.342339 0.844862 0.342339 Fe\n0.844862 0.342339 0.342339 Fe\n0.656382 0.656382 0.156067 Fe\n0.656382 0.156067 0.656382 Fe\n0.156067 0.656382 0.656382 Fe\n0.707712 0.001361 0.291121 Fe\n0.001361 0.291121 0.707712 Fe\n0.291121 0.707712 0.001361 Fe\n0.001361 0.707712 0.291121 Fe\n0.707712 0.291121 0.001361 Fe\n0.291121 0.001361 0.707712 Fe\n0.903583 0.903583 0.903583 Fe\n0.097556 0.097556 0.097556 Fe\n",
            "nsites": 19,
            "nelements": 3,
            "elements": [
                "Nd",
                "Er",
                "Fe"
            ],
            "chemical_system": "Er-Fe-Nd",
            "density": 8.054057360552903,
            "density_atomic": 0.07308870851394023,
            "volume": 259.9580754170273,
            "volume_molar": 8.239495378210707,
            "formula_full": "Nd1 Er1 Fe17",
            "formula_reduced": "NdErFe17",
            "formula_anonymous": "ABC17",
            "energy": -153.03369084,
            "energy_per_atom": -8.05440478105263,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -153.03369084,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 39.4505503,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:33.305000Z",
            "spacegroup": 160
        },
        {
            "id": "mp-778867",
            "created_at": "2022-09-04T14:46:08.282933Z",
            "structure_string": "Li9 Mn12 B12 O36\n1.0\n5.303976 0.000000 0.000000\n0.358613 10.296973 0.000000\n2.633169 0.019429 13.718784\nLi Mn B O\n9 12 12 36\ndirect\n0.141466 0.838036 0.007998 Li\n0.177672 0.096883 0.336709 Li\n0.164802 0.328684 0.984876 Li\n0.502879 0.329204 0.324418 Li\n0.480126 0.840214 0.342830 Li\n0.512080 0.599665 0.664531 Li\n0.843865 0.330616 0.652896 Li\n0.813517 0.844629 0.675791 Li\n0.835953 0.600472 0.000899 Li\n0.036402 0.865866 0.229332 Mn\n0.273619 0.117593 0.109533 Mn\n0.064048 0.617512 0.557284 Mn\n0.286041 0.366356 0.765871 Mn\n0.608782 0.363617 0.104056 Mn\n0.378636 0.872172 0.557320 Mn\n0.626783 0.121471 0.450966 Mn\n0.715893 0.613407 0.229114 Mn\n0.396915 0.617500 0.886254 Mn\n0.953767 0.376411 0.436886 Mn\n0.704644 0.874051 0.895550 Mn\n0.950013 0.120456 0.782866 Mn\n0.053061 0.354281 0.217506 B\n0.068952 0.119904 0.554107 B\n0.271204 0.625904 0.111814 B\n0.407008 0.378060 0.550892 B\n0.269960 0.877461 0.779909 B\n0.597702 0.878382 0.116620 B\n0.389226 0.123958 0.882533 B\n0.715425 0.121382 0.222718 B\n0.611883 0.636604 0.451333 B\n0.725918 0.367965 0.885058 B\n0.946446 0.878772 0.450316 B\n0.944994 0.628435 0.779750 B\n0.184205 0.638048 0.024377 O\n0.108822 0.666702 0.196758 O\n0.199141 0.311378 0.124704 O\n0.012717 0.838882 0.538833 O\n0.164273 0.349973 0.297278 O\n0.125982 0.896986 0.367557 O\n0.145632 0.409789 0.557336 O\n0.015555 0.926771 0.777496 O\n0.340508 0.925974 0.110364 O\n0.312243 0.056990 0.548573 O\n0.195887 0.579127 0.773894 O\n0.520703 0.575907 0.112449 O\n0.306336 0.159430 0.796506 O\n0.548624 0.130783 0.310709 O\n0.633051 0.154076 0.136618 O\n0.230287 0.138930 0.970984 O\n0.526047 0.655705 0.367255 O\n0.451891 0.681954 0.542004 O\n0.548657 0.328904 0.463555 O\n0.327217 0.838881 0.869209 O\n0.649807 0.846559 0.207384 O\n0.519474 0.399049 0.630734 O\n0.444177 0.863298 0.695258 O\n0.773852 0.859514 0.033442 O\n0.469752 0.402870 0.885742 O\n0.800257 0.399510 0.221622 O\n0.686503 0.905435 0.448616 O\n0.639140 0.075914 0.875810 O\n0.974631 0.083374 0.221272 O\n0.839792 0.574638 0.458658 O\n0.914153 0.145277 0.640571 O\n0.002451 0.159241 0.465768 O\n0.843588 0.645936 0.696624 O\n0.793985 0.663122 0.870030 O\n0.876086 0.315248 0.797360 O\n0.834483 0.388921 0.964833 O\n",
            "nsites": 69,
            "nelements": 4,
            "elements": [
                "Li",
                "Mn",
                "B",
                "O"
            ],
            "chemical_system": "B-Li-Mn-O",
            "density": 3.163581172220413,
            "density_atomic": 0.09209209402877191,
            "volume": 749.2499842434102,
            "volume_molar": 6.539259231219707,
            "formula_full": "Li9 Mn12 B12 O36",
            "formula_reduced": "Li3Mn4(BO3)4",
            "formula_anonymous": "A3B4C4D12",
            "energy": -555.75836529,
            "energy_per_atom": -8.054469062173913,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -511.01036529,
            "band_gap": 0.2851999999999999,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 57.157965,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:24.349000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-1180910",
            "created_at": "2022-09-04T14:41:08.115114Z",
            "structure_string": "Mo8 C16 N4 O28\n1.0\n9.357490 0.000000 0.000000\n3.124386 9.168007 0.000000\n0.446101 1.241376 11.164001\nMo C N O\n8 16 4 28\ndirect\n0.812152 0.983502 0.474129 Mo\n0.187848 0.016498 0.525871 Mo\n0.282932 0.905507 0.257006 Mo\n0.717068 0.094493 0.742994 Mo\n0.963693 0.196808 0.265592 Mo\n0.036307 0.803192 0.734408 Mo\n0.139250 0.717127 0.447063 Mo\n0.860750 0.282873 0.552937 Mo\n0.627161 0.842695 0.178982 C\n0.372839 0.157305 0.821018 C\n0.691883 0.762212 0.077920 C\n0.308117 0.237788 0.922080 C\n0.754197 0.849262 0.232869 C\n0.245803 0.150738 0.767131 C\n0.859421 0.767752 0.146602 C\n0.140579 0.232248 0.853398 C\n0.511745 0.677312 0.797676 C\n0.488255 0.322688 0.202324 C\n0.580885 0.656800 0.699455 C\n0.419115 0.343200 0.300545 C\n0.671931 0.603776 0.497225 C\n0.328069 0.396224 0.502775 C\n0.441055 0.658839 0.896443 C\n0.558945 0.341161 0.103557 C\n0.843287 0.713885 0.047150 N\n0.156713 0.286115 0.952850 N\n0.653851 0.630971 0.606519 N\n0.346149 0.369029 0.393481 N\n0.087375 0.939437 0.389901 O\n0.912625 0.060563 0.610099 O\n0.789051 0.896726 0.327345 O\n0.210949 0.103274 0.672655 O\n0.805014 0.181974 0.389901 O\n0.194986 0.818026 0.610099 O\n0.947806 0.789536 0.547803 O\n0.052194 0.210464 0.452197 O\n0.642387 0.006866 0.548418 O\n0.357613 0.993134 0.451582 O\n0.332536 0.733161 0.372637 O\n0.667464 0.266839 0.627363 O\n0.183051 0.112313 0.237056 O\n0.816949 0.887687 0.762944 O\n0.203745 0.849751 0.146084 O\n0.796255 0.150249 0.853916 O\n0.480530 0.889228 0.203945 O\n0.519470 0.110772 0.796055 O\n0.897367 0.118615 0.158972 O\n0.102633 0.881385 0.841028 O\n0.909938 0.380995 0.218645 O\n0.090062 0.619005 0.781355 O\n0.077986 0.627936 0.347838 O\n0.922014 0.372064 0.652162 O\n0.257085 0.504631 0.553061 O\n0.742915 0.495369 0.446939 O\n0.375699 0.643227 0.985022 O\n0.624301 0.356773 0.014978 O\n",
            "nsites": 56,
            "nelements": 4,
            "elements": [
                "Mo",
                "C",
                "N",
                "O"
            ],
            "chemical_system": "C-Mo-N-O",
            "density": 2.5377413242994122,
            "density_atomic": 0.05847010212672835,
            "volume": 957.7544413831424,
            "volume_molar": 10.299521534865093,
            "formula_full": "Mo8 C16 N4 O28",
            "formula_reduced": "Mo2C4NO7",
            "formula_anonymous": "AB2C4D7",
            "energy": -451.0505111,
            "energy_per_atom": -8.0544734125,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -404.7545111,
            "band_gap": 0.2356999999999999,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 0.0698688,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:09.007000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-1519183",
            "created_at": "2022-09-04T14:42:22.953125Z",
            "structure_string": "K1 Sr1 Ce1 Nb1 O6\n1.0\n0.000000 -4.253130 -4.253130\n4.253130 0.000000 -4.253130\n4.253130 -4.253130 0.000000\nK Sr Ce Nb O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 Sr\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 Nb\n0.737191 0.262809 0.262809 O\n0.262809 0.737191 0.737191 O\n0.737191 0.262809 0.737191 O\n0.262809 0.737191 0.262809 O\n0.737191 0.737191 0.262809 O\n0.262809 0.262809 0.737191 O\n",
            "nsites": 10,
            "nelements": 5,
            "elements": [
                "K",
                "Sr",
                "Ce",
                "Nb",
                "O"
            ],
            "chemical_system": "Ce-K-Nb-O-Sr",
            "density": 4.91821482837041,
            "density_atomic": 0.06498962514658949,
            "volume": 153.87071363227855,
            "volume_molar": 9.266310963352325,
            "formula_full": "K1 Sr1 Ce1 Nb1 O6",
            "formula_reduced": "KSrCeNbO6",
            "formula_anonymous": "ABCDE6",
            "energy": -80.54488075,
            "energy_per_atom": -8.054488075,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -76.42288075,
            "band_gap": 2.0628,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:45.764000Z",
            "spacegroup": 216
        },
        {
            "id": "mp-935811",
            "created_at": "2022-09-04T14:43:14.574449Z",
            "structure_string": "K1 Nb1 O3\n1.0\n4.057469 0.000000 0.000000\n0.000000 4.057469 0.000000\n0.000000 0.000000 4.057469\nK Nb O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 Nb\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n",
            "nsites": 5,
            "nelements": 3,
            "elements": [
                "K",
                "Nb",
                "O"
            ],
            "chemical_system": "K-Nb-O",
            "density": 4.474689656035437,
            "density_atomic": 0.07485216618554594,
            "volume": 66.7983340335915,
            "volume_molar": 8.045379401675731,
            "formula_full": "K1 Nb1 O3",
            "formula_reduced": "KNbO3",
            "formula_anonymous": "ABC3",
            "energy": -40.27262741999999,
            "energy_per_atom": -8.054525484,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -38.21162742,
            "band_gap": 1.4120999999999997,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0001819,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:09.855000Z",
            "spacegroup": 221
        },
        {
            "id": "mp-1042707",
            "created_at": "2022-09-04T14:46:54.261337Z",
            "structure_string": "Mg4 V6 O16\n1.0\n2.953666 -5.115900 0.000000\n2.953666 5.115900 0.000000\n0.000000 0.000000 9.521687\nMg V O\n4 6 16\ndirect\n0.666667 0.333333 0.020590 Mg\n0.333333 0.666667 0.520590 Mg\n0.666667 0.333333 0.421494 Mg\n0.333333 0.666667 0.921494 Mg\n0.674876 0.837438 0.243762 V\n0.837438 0.162562 0.743762 V\n0.162562 0.325124 0.243762 V\n0.837438 0.674876 0.743762 V\n0.325124 0.162562 0.743762 V\n0.162562 0.837438 0.243762 V\n0.835238 0.164762 0.147722 O\n0.670476 0.835238 0.647722 O\n0.164762 0.329524 0.647722 O\n0.835238 0.670476 0.147722 O\n0.329524 0.164762 0.147722 O\n0.164762 0.835238 0.647722 O\n0.517960 0.482040 0.863725 O\n0.035919 0.517960 0.363725 O\n0.482040 0.964081 0.363725 O\n0.517960 0.035919 0.863725 O\n0.000000 0.000000 0.354174 O\n0.000000 0.000000 0.854174 O\n0.333333 0.666667 0.131618 O\n0.964081 0.482040 0.863725 O\n0.482040 0.517960 0.363725 O\n0.666667 0.333333 0.631618 O\n",
            "nsites": 26,
            "nelements": 3,
            "elements": [
                "Mg",
                "V",
                "O"
            ],
            "chemical_system": "Mg-O-V",
            "density": 3.8020210457814323,
            "density_atomic": 0.09035371641815496,
            "volume": 287.75794766064286,
            "volume_molar": 6.665072560081169,
            "formula_full": "Mg4 V6 O16",
            "formula_reduced": "Mg2V3O8",
            "formula_anonymous": "A2B3C8",
            "energy": -209.41880901,
            "energy_per_atom": -8.054569577307692,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -188.22680901,
            "band_gap": 1.3518,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 5.9997856,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:45.812000Z",
            "spacegroup": 186
        },
        {
            "id": "mp-756915",
            "created_at": "2022-09-04T14:48:30.546375Z",
            "structure_string": "Li3 V1 Cr4 O8\n1.0\n2.973183 5.238631 0.000000\n-2.973183 5.238631 0.000000\n0.000000 3.253637 5.014567\nLi V Cr O\n3 1 4 8\ndirect\n0.000000 0.500000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.500000 0.000000 0.000000 Li\n0.500000 0.500000 0.000000 V\n0.500000 0.500000 0.500000 Cr\n0.000000 0.000000 0.000000 Cr\n0.000000 0.500000 0.500000 Cr\n0.500000 0.000000 0.500000 Cr\n0.254560 0.254560 0.265546 O\n0.268647 0.762993 0.730867 O\n0.762993 0.268647 0.730867 O\n0.735379 0.735379 0.279693 O\n0.264621 0.264621 0.720307 O\n0.237007 0.731353 0.269133 O\n0.731353 0.237007 0.269133 O\n0.745440 0.745440 0.734454 O\n",
            "nsites": 16,
            "nelements": 4,
            "elements": [
                "Li",
                "V",
                "Cr",
                "O"
            ],
            "chemical_system": "Cr-Li-O-V",
            "density": 4.33444902204508,
            "density_atomic": 0.10242762413708141,
            "volume": 156.20786027982848,
            "volume_molar": 5.879410765147125,
            "formula_full": "Li3 V1 Cr4 O8",
            "formula_reduced": "Li3VCr4O8",
            "formula_anonymous": "AB3C4D8",
            "energy": -128.87377848,
            "energy_per_atom": -8.054611155,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -113.68177848,
            "band_gap": 0.1432999999999999,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 16.000103,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:39:46.759000Z",
            "spacegroup": 12
        },
        {
            "id": "mp-25414",
            "created_at": "2022-09-04T14:46:36.719451Z",
            "structure_string": "Li2 P2 W2 C2 O14\n1.0\n6.535484 0.000000 0.000000\n0.000000 5.167073 0.000000\n0.000000 0.695562 8.893352\nLi P W C O\n2 2 2 2 14\ndirect\n0.992953 0.260746 0.212325 Li\n0.492953 0.739254 0.787675 Li\n0.249544 0.714368 0.427073 P\n0.749544 0.285632 0.572927 P\n0.744855 0.792568 0.328509 W\n0.244855 0.207432 0.671491 W\n0.756456 0.717653 0.050252 C\n0.256456 0.282347 0.949748 C\n0.558319 0.184612 0.660774 O\n0.759263 0.951154 0.111909 O\n0.276659 0.474912 0.841212 O\n0.776659 0.525088 0.158788 O\n0.434746 0.775386 0.324667 O\n0.767749 0.159494 0.422253 O\n0.934746 0.224614 0.675333 O\n0.267749 0.840506 0.577747 O\n0.058319 0.815388 0.339226 O\n0.233510 0.413819 0.462481 O\n0.729145 0.691833 0.916277 O\n0.229145 0.308167 0.083723 O\n0.733510 0.586181 0.537519 O\n0.259263 0.048846 0.888091 O\n",
            "nsites": 22,
            "nelements": 5,
            "elements": [
                "Li",
                "P",
                "W",
                "C",
                "O"
            ],
            "chemical_system": "C-Li-O-P-W",
            "density": 3.823557209859242,
            "density_atomic": 0.07325459062735247,
            "volume": 300.3224755143938,
            "volume_molar": 8.220837367906057,
            "formula_full": "Li2 P2 W2 C2 O14",
            "formula_reduced": "LiPWCO7",
            "formula_anonymous": "ABCDE7",
            "energy": -177.20218810000003,
            "energy_per_atom": -8.054644913636364,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -158.7081881,
            "band_gap": 2.8866,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 4.0001536,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:41.697000Z",
            "spacegroup": 4
        },
        {
            "id": "mp-754552",
            "created_at": "2022-09-04T14:41:20.981078Z",
            "structure_string": "Li3 Mn4 B4 O12\n1.0\n5.291494 0.000000 0.000000\n0.266610 6.201615 0.000000\n0.351707 1.462747 7.697081\nLi Mn B O\n3 4 4 12\ndirect\n0.574552 0.871587 0.811619 Li\n0.931435 0.632240 0.687673 Li\n0.412298 0.140394 0.204853 Li\n0.421595 0.417796 0.827855 Mn\n0.084647 0.088681 0.667940 Mn\n0.912774 0.933501 0.313624 Mn\n0.580131 0.575606 0.185057 Mn\n0.427227 0.764493 0.497886 B\n0.923727 0.259390 0.994780 B\n0.076519 0.754804 0.003268 B\n0.575162 0.217142 0.504340 B\n0.332493 0.701023 0.982527 O\n0.932325 0.837347 0.861621 O\n0.029292 0.342265 0.828702 O\n0.167409 0.802462 0.514220 O\n0.571104 0.665570 0.634767 O\n0.545667 0.845326 0.335242 O\n0.474441 0.156894 0.674828 O\n0.435004 0.333112 0.376271 O\n0.825519 0.141349 0.472449 O\n0.954206 0.707894 0.169587 O\n0.078635 0.143556 0.119621 O\n0.667731 0.298943 0.031381 O\n",
            "nsites": 23,
            "nelements": 4,
            "elements": [
                "Li",
                "Mn",
                "B",
                "O"
            ],
            "chemical_system": "B-Li-Mn-O",
            "density": 3.128061648316058,
            "density_atomic": 0.09105811792473498,
            "volume": 252.5859365884422,
            "volume_molar": 6.613513322313188,
            "formula_full": "Li3 Mn4 B4 O12",
            "formula_reduced": "Li3Mn4(BO3)4",
            "formula_anonymous": "A3B4C4D12",
            "energy": -185.25786159,
            "energy_per_atom": -8.054689634347826,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -170.34186159,
            "band_gap": 0.5006999999999999,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 18.9998926,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:09.144000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-12450",
            "created_at": "2022-09-04T14:46:12.816054Z",
            "structure_string": "Li2 Nd4 Os2 O12\n1.0\n5.850069 0.000000 0.000000\n0.000000 5.476320 0.000000\n0.000000 5.395627 7.807912\nLi Nd Os O\n2 4 2 12\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Li\n0.071379 0.768935 0.748640 Nd\n0.571379 0.231065 0.751360 Nd\n0.428621 0.768935 0.248640 Nd\n0.928621 0.231065 0.251360 Nd\n0.500000 0.500000 0.000000 Os\n0.000000 0.500000 0.500000 Os\n0.288189 0.265712 0.554974 O\n0.788189 0.734288 0.945026 O\n0.711811 0.734288 0.445026 O\n0.211811 0.265712 0.054974 O\n0.033449 0.642133 0.256358 O\n0.533449 0.357867 0.243642 O\n0.315057 0.845293 0.951039 O\n0.815057 0.154707 0.548961 O\n0.684943 0.154707 0.048961 O\n0.184943 0.845293 0.451039 O\n0.466551 0.642133 0.756358 O\n0.966551 0.357867 0.743642 O\n",
            "nsites": 20,
            "nelements": 4,
            "elements": [
                "Li",
                "Nd",
                "Os",
                "O"
            ],
            "chemical_system": "Li-Nd-O-Os",
            "density": 7.722486450015454,
            "density_atomic": 0.07995493595520825,
            "volume": 250.14090451156446,
            "volume_molar": 7.5319186840118,
            "formula_full": "Li2 Nd4 Os2 O12",
            "formula_reduced": "LiNd2OsO6",
            "formula_anonymous": "ABC2D6",
            "energy": -161.09380063999998,
            "energy_per_atom": -8.054690032,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -152.84980064,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 6.0000258,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:29.881000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-6671",
            "created_at": "2022-09-04T14:42:53.461694Z",
            "structure_string": "Sm16 Si8 S12 O28\n1.0\n-5.961724 5.961724 7.015225\n5.961724 -5.961724 7.015225\n5.961724 5.961724 -7.015225\nSm Si S O\n16 8 12 28\ndirect\n0.421727 0.921727 0.843455 Sm\n0.671727 0.328273 0.000000 Sm\n0.328273 0.671727 0.000000 Sm\n0.078273 0.578273 0.156545 Sm\n0.328273 0.328273 0.656545 Sm\n0.078273 0.921727 0.500000 Sm\n0.421727 0.578273 0.500000 Sm\n0.671727 0.671727 0.343455 Sm\n0.032370 0.795978 0.763608 Sm\n0.032370 0.268762 0.236392 Sm\n0.204022 0.967630 0.236392 Sm\n0.018762 0.282370 0.736392 Sm\n0.545978 0.282370 0.263608 Sm\n0.717630 0.981238 0.263608 Sm\n0.717630 0.454022 0.736392 Sm\n0.731238 0.967630 0.763608 Sm\n0.277896 0.402463 0.124567 Si\n0.277896 0.153329 0.875433 Si\n0.597537 0.722104 0.875433 Si\n0.903329 0.527896 0.375433 Si\n0.152463 0.527896 0.624567 Si\n0.472104 0.096671 0.624567 Si\n0.472104 0.847537 0.375433 Si\n0.846671 0.722104 0.124567 Si\n0.500000 0.500000 0.000000 S\n0.250000 0.750000 0.500000 S\n0.750000 0.250000 0.500000 S\n0.000000 0.000000 0.000000 S\n0.875000 0.977227 0.602227 S\n0.727227 0.625000 0.602227 S\n0.022773 0.125000 0.397773 S\n0.375000 0.272773 0.397773 S\n0.875000 0.272773 0.897773 S\n0.022773 0.625000 0.897773 S\n0.727227 0.125000 0.102227 S\n0.375000 0.977227 0.102227 S\n0.772636 0.772636 0.000000 O\n0.522636 0.022636 0.500000 O\n0.977364 0.477364 0.500000 O\n0.227364 0.227364 0.000000 O\n0.200475 0.971109 0.770634 O\n0.200475 0.429842 0.229366 O\n0.028891 0.799525 0.229366 O\n0.179842 0.450475 0.729366 O\n0.721109 0.450475 0.270634 O\n0.549525 0.820158 0.270634 O\n0.549525 0.278891 0.729366 O\n0.570158 0.799525 0.770634 O\n0.297055 0.058771 0.520083 O\n0.538688 0.776972 0.479917 O\n0.941229 0.702945 0.479917 O\n0.526972 0.547055 0.738284 O\n0.808771 0.788688 0.261716 O\n0.452945 0.473028 0.261716 O\n0.211312 0.191229 0.738284 O\n0.223028 0.461312 0.520083 O\n0.452945 0.191229 0.979917 O\n0.211312 0.473028 0.020083 O\n0.808771 0.547055 0.020083 O\n0.223028 0.702945 0.761716 O\n0.941229 0.461312 0.238284 O\n0.297055 0.776972 0.238284 O\n0.538688 0.058771 0.761716 O\n0.526972 0.788688 0.979917 O\n",
            "nsites": 64,
            "nelements": 4,
            "elements": [
                "Sm",
                "Si",
                "S",
                "O"
            ],
            "chemical_system": "O-S-Si-Sm",
            "density": 5.766100987786218,
            "density_atomic": 0.06417038504068456,
            "volume": 997.3448025818057,
            "volume_molar": 9.384610605315697,
            "formula_full": "Sm16 Si8 S12 O28",
            "formula_reduced": "Sm4Si2S3O7",
            "formula_anonymous": "A2B3C4D7",
            "energy": -515.50479198,
            "energy_per_atom": -8.0547623746875,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -490.23279198,
            "band_gap": 2.5927,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0042068,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:56.652000Z",
            "spacegroup": 141
        }
    ]
}