GET /third-parties/MatprojStructure/?format=api&ordering=-formation_energy&page=12141
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&page=12142",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formation_energy&page=12140",
    "results": [
        {
            "id": "mp-1212601",
            "created_at": "2022-09-04T14:40:25.981463Z",
            "structure_string": "Na3 W6 N2 O31\n1.0\n10.322641 0.669631 2.470363\n5.160256 8.623594 1.939143\n1.985982 -0.415220 8.625714\nNa W N O\n3 6 2 31\ndirect\n0.500000 0.000000 0.000000 Na\n0.640580 0.214160 0.103010 Na\n0.359420 0.785840 0.896990 Na\n0.100317 0.337463 0.267886 W\n0.899683 0.662537 0.732114 W\n0.257878 0.323755 0.556068 W\n0.742122 0.676245 0.443932 W\n0.104343 0.650975 0.314909 W\n0.895657 0.349025 0.685091 W\n0.792764 0.194454 0.331995 N\n0.207236 0.805546 0.668005 N\n0.451596 0.436351 0.887139 O\n0.548404 0.563649 0.112861 O\n0.286738 0.196257 0.367851 O\n0.713262 0.803743 0.632149 O\n0.128356 0.229031 0.671623 O\n0.871644 0.770969 0.328377 O\n0.144462 0.506363 0.170140 O\n0.855538 0.493637 0.829860 O\n0.836652 0.095108 0.233238 O\n0.163348 0.904892 0.766762 O\n0.667606 0.333158 0.351748 O\n0.332394 0.666842 0.648252 O\n0.140956 0.215624 0.112902 O\n0.859044 0.784376 0.887098 O\n0.194692 0.753164 0.170606 O\n0.805308 0.246836 0.829394 O\n0.363226 0.212055 0.184706 O\n0.636774 0.787945 0.815294 O\n0.297767 0.460362 0.370413 O\n0.702233 0.539638 0.629587 O\n0.547173 0.662413 0.170999 O\n0.452827 0.337587 0.829001 O\n0.131384 0.485482 0.720410 O\n0.868616 0.514518 0.279590 O\n0.000000 0.500000 0.500000 O\n0.245673 0.110039 0.984315 O\n0.754327 0.889961 0.015685 O\n0.017196 0.741028 0.530673 O\n0.982804 0.258972 0.469327 O\n0.449665 0.188050 0.577381 O\n0.550335 0.811950 0.422619 O\n",
            "nsites": 42,
            "nelements": 4,
            "elements": [
                "Na",
                "W",
                "N",
                "O"
            ],
            "chemical_system": "N-Na-O-W",
            "density": 4.015633318207088,
            "density_atomic": 0.0598862807662462,
            "volume": 701.3292437367813,
            "volume_molar": 10.055960535445823,
            "formula_full": "Na3 W6 N2 O31",
            "formula_reduced": "Na3W6N2O31",
            "formula_anonymous": "A2B3C6D31",
            "energy": -296.02647161000004,
            "energy_per_atom": -7.04824932404762,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -264.40747161,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.9999874,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:49.380000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-1178074",
            "created_at": "2022-09-04T14:40:25.982751Z",
            "structure_string": "Li15 Fe15 Si1 O32\n1.0\n6.686662 0.000000 0.000000\n-0.021718 10.630382 0.000000\n-0.014703 -0.085634 10.677618\nLi Fe Si O\n15 15 1 32\ndirect\n0.754759 0.904641 0.899451 Li\n0.495526 0.905277 0.650287 Li\n0.514320 0.838279 0.167383 Li\n0.249731 0.660859 0.658072 Li\n0.253329 0.599682 0.166758 Li\n0.998147 0.593360 0.410633 Li\n0.002521 0.662195 0.894604 Li\n0.501409 0.339572 0.095182 Li\n0.499534 0.403410 0.594132 Li\n0.750885 0.403313 0.841185 Li\n0.750054 0.341800 0.341772 Li\n0.000871 0.158895 0.839024 Li\n0.996543 0.093762 0.339215 Li\n0.248476 0.093519 0.096004 Li\n0.249130 0.159285 0.594677 Li\n0.246349 0.910028 0.909493 Fe\n0.996485 0.904629 0.659339 Fe\n0.244814 0.833495 0.398889 Fe\n0.746998 0.657591 0.663543 Fe\n0.500993 0.661567 0.910329 Fe\n0.751952 0.595973 0.165235 Fe\n0.500923 0.586551 0.415125 Fe\n0.000736 0.408937 0.590739 Fe\n0.252678 0.404559 0.838013 Fe\n0.003889 0.338225 0.092146 Fe\n0.248645 0.338376 0.339570 Fe\n0.501097 0.157639 0.840652 Fe\n0.749306 0.160750 0.593582 Fe\n0.499302 0.091716 0.338454 Fe\n0.755408 0.089372 0.089965 Fe\n0.000132 0.845757 0.155308 Si\n0.468814 0.916341 0.332701 O\n0.791391 0.908250 0.098630 O\n0.207794 0.899297 0.087508 O\n0.019147 0.890439 0.302596 O\n0.016184 0.842862 0.831167 O\n0.232501 0.845286 0.577576 O\n0.752550 0.829377 0.617041 O\n0.486489 0.833949 0.854097 O\n0.263099 0.659469 0.349025 O\n0.989376 0.692975 0.116179 O\n0.514031 0.660957 0.089700 O\n0.739666 0.634709 0.336078 O\n0.739393 0.597519 0.836767 O\n0.505959 0.593667 0.593642 O\n0.990708 0.587413 0.602721 O\n0.261356 0.584087 0.850073 O\n0.764873 0.417480 0.148513 O\n0.489307 0.406401 0.404072 O\n0.009608 0.400003 0.412619 O\n0.240196 0.403331 0.168397 O\n0.238325 0.344050 0.667187 O\n0.013428 0.342370 0.913699 O\n0.490474 0.329115 0.902139 O\n0.762626 0.332740 0.655247 O\n0.989433 0.167820 0.155567 O\n0.258318 0.166687 0.399992 O\n0.738644 0.154534 0.415124 O\n0.515952 0.149641 0.164524 O\n0.509700 0.097999 0.669348 O\n0.742072 0.094414 0.912724 O\n0.259804 0.088138 0.905442 O\n0.988040 0.084862 0.655943 O\n",
            "nsites": 63,
            "nelements": 4,
            "elements": [
                "Li",
                "Fe",
                "Si",
                "O"
            ],
            "chemical_system": "Fe-Li-O-Si",
            "density": 3.2420713384027953,
            "density_atomic": 0.08300570220715286,
            "volume": 758.9840013975701,
            "volume_molar": 7.2550928428638155,
            "formula_full": "Li15 Fe15 Si1 O32",
            "formula_reduced": "Li15Fe15SiO32",
            "formula_anonymous": "AB15C15D32",
            "energy": -440.93326965,
            "energy_per_atom": -6.998940788095238,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -385.10926965,
            "band_gap": 1.9058,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 75.0040478,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:57.610000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-1031896",
            "created_at": "2022-09-04T14:40:25.987830Z",
            "structure_string": "Hf1 Mg6 Ni1 O8\n1.0\n9.178854 0.000000 0.000000\n0.000000 4.284951 0.000000\n0.000000 0.000000 4.284951\nHf Mg Ni O\n1 6 1 8\ndirect\n0.500000 0.000000 0.000000 Hf\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.226677 0.000000 0.500000 Mg\n0.773323 0.000000 0.500000 Mg\n0.226677 0.500000 0.000000 Mg\n0.773323 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 Ni\n0.274298 0.000000 0.000000 O\n0.725702 0.000000 0.000000 O\n0.244336 0.500000 0.500000 O\n0.755664 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
            "nsites": 16,
            "nelements": 4,
            "elements": [
                "Hf",
                "Mg",
                "Ni",
                "O"
            ],
            "chemical_system": "Hf-Mg-Ni-O",
            "density": 5.034972753052095,
            "density_atomic": 0.09493793928986036,
            "volume": 168.5311490820282,
            "volume_molar": 6.343239388853242,
            "formula_full": "Hf1 Mg6 Ni1 O8",
            "formula_reduced": "HfMg6NiO8",
            "formula_anonymous": "ABC6D8",
            "energy": -107.90133549,
            "energy_per_atom": -6.743833468125,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -99.86433549,
            "band_gap": 3.8272999999999993,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 1.0136246,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:02.995000Z",
            "spacegroup": 123
        },
        {
            "id": "mp-1235528",
            "created_at": "2022-09-04T14:40:25.994968Z",
            "structure_string": "Li1 Fe6 O4 F8\n1.0\n-5.110824 5.123727 3.092534\n-0.194764 4.924611 -3.090812\n-4.904886 0.200483 -3.083994\nLi Fe O F\n1 6 4 8\ndirect\n0.169293 0.829073 0.326580 Li\n0.845551 0.632338 0.664516 Fe\n0.674039 0.349877 0.310005 Fe\n0.352054 0.681113 0.668593 Fe\n0.160710 0.323346 0.353679 Fe\n0.511644 0.977698 0.016806 Fe\n0.984514 0.980490 0.987239 Fe\n0.340481 0.977901 0.357766 O\n0.683958 0.649665 0.010209 O\n0.007718 0.289954 0.700517 O\n0.000820 0.678681 0.298176 O\n0.656451 0.039968 0.625612 F\n0.336649 0.359361 0.959082 F\n0.309646 0.887477 0.935543 F\n0.984493 0.194482 0.252008 F\n0.647511 0.557073 0.572929 F\n0.041722 0.766151 0.717314 F\n0.358161 0.461076 0.410509 F\n0.684587 0.114273 0.082919 F\n",
            "nsites": 19,
            "nelements": 4,
            "elements": [
                "Li",
                "Fe",
                "O",
                "F"
            ],
            "chemical_system": "F-Fe-Li-O",
            "density": 4.143326543617564,
            "density_atomic": 0.08496160651380122,
            "volume": 223.63042295950027,
            "volume_molar": 7.088073080423403,
            "formula_full": "Li1 Fe6 O4 F8",
            "formula_reduced": "LiFe6(OF2)4",
            "formula_anonymous": "AB4C6D8",
            "energy": -129.95617119,
            "energy_per_atom": -6.83979848368421,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -109.97617119,
            "band_gap": 1.6187,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 26.999366,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:56.474000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-1190749",
            "created_at": "2022-09-04T14:40:25.996688Z",
            "structure_string": "Ho2 In4 Ni18\n1.0\n8.241055 0.000000 0.000000\n0.000000 8.241055 0.000000\n0.000000 0.000000 4.805150\nHo In Ni\n2 4 18\ndirect\n0.500000 0.500000 0.000000 Ho\n0.000000 0.000000 0.000000 Ho\n0.124408 0.624408 0.000000 In\n0.875592 0.375592 0.000000 In\n0.375592 0.124408 0.000000 In\n0.624408 0.875592 0.000000 In\n0.000000 0.500000 0.500000 Ni\n0.500000 0.000000 0.500000 Ni\n0.563262 0.706037 0.500000 Ni\n0.436738 0.293963 0.500000 Ni\n0.936738 0.206037 0.500000 Ni\n0.063262 0.793963 0.500000 Ni\n0.706037 0.436738 0.500000 Ni\n0.293963 0.563262 0.500000 Ni\n0.206037 0.063262 0.500000 Ni\n0.793963 0.936738 0.500000 Ni\n0.323724 0.823724 0.752069 Ni\n0.676276 0.176276 0.752069 Ni\n0.176276 0.323724 0.752069 Ni\n0.823724 0.676276 0.752069 Ni\n0.676276 0.176276 0.247931 Ni\n0.323724 0.823724 0.247931 Ni\n0.823724 0.676276 0.247931 Ni\n0.176276 0.323724 0.247931 Ni\n",
            "nsites": 24,
            "nelements": 3,
            "elements": [
                "Ho",
                "In",
                "Ni"
            ],
            "chemical_system": "Ho-In-Ni",
            "density": 9.391119375992751,
            "density_atomic": 0.07354254707461769,
            "volume": 326.341702248212,
            "volume_molar": 8.188648611653088,
            "formula_full": "Ho2 In4 Ni18",
            "formula_reduced": "HoIn2Ni9",
            "formula_anonymous": "AB2C9",
            "energy": -129.43914535,
            "energy_per_atom": -5.3932977229166665,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -129.43914535,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.4280036,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:49.507000Z",
            "spacegroup": 127
        },
        {
            "id": "mp-1029656",
            "created_at": "2022-09-04T14:40:25.997468Z",
            "structure_string": "Na12 W2 N8\n1.0\n7.528577 0.000000 0.000000\n0.000000 7.528577 0.000000\n0.000000 0.000000 5.819558\nNa W N\n12 2 8\ndirect\n0.500000 0.000000 0.637463 Na\n0.000000 0.500000 0.862537 Na\n0.000000 0.500000 0.362537 Na\n0.500000 0.000000 0.137463 Na\n0.205943 0.205943 0.500000 Na\n0.794057 0.794057 0.500000 Na\n0.705943 0.705943 0.000000 Na\n0.294057 0.294057 0.000000 Na\n0.205943 0.794057 0.500000 Na\n0.794057 0.205943 0.500000 Na\n0.705943 0.294057 0.000000 Na\n0.294057 0.705943 0.000000 Na\n0.500000 0.500000 0.500000 W\n0.000000 0.000000 0.000000 W\n0.500000 0.284670 0.324037 N\n0.500000 0.715330 0.324037 N\n0.000000 0.784670 0.175963 N\n0.000000 0.215330 0.175963 N\n0.284670 0.500000 0.675963 N\n0.715330 0.500000 0.675963 N\n0.784670 0.000000 0.824037 N\n0.215330 0.000000 0.824037 N\n",
            "nsites": 22,
            "nelements": 3,
            "elements": [
                "Na",
                "W",
                "N"
            ],
            "chemical_system": "N-Na-W",
            "density": 3.8039209053460987,
            "density_atomic": 0.06669709011038123,
            "volume": 329.8494726470197,
            "volume_molar": 9.029090699509648,
            "formula_full": "Na12 W2 N8",
            "formula_reduced": "Na6WN4",
            "formula_anonymous": "AB4C6",
            "energy": -117.60023563,
            "energy_per_atom": -5.345465255909091,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -114.71223563,
            "band_gap": 3.9543,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0006363,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:59.573000Z",
            "spacegroup": 137
        },
        {
            "id": "mp-977393",
            "created_at": "2022-09-04T14:40:26.007936Z",
            "structure_string": "Li1 Lu2 Ru1\n1.0\n0.000000 3.400200 3.400200\n3.400200 0.000000 3.400200\n3.400200 3.400200 0.000000\nLi Lu Ru\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Li\n0.250000 0.250000 0.250000 Lu\n0.750000 0.750000 0.750000 Lu\n0.000000 0.000000 0.000000 Ru\n",
            "nsites": 4,
            "nelements": 3,
            "elements": [
                "Li",
                "Lu",
                "Ru"
            ],
            "chemical_system": "Li-Lu-Ru",
            "density": 9.67206116590025,
            "density_atomic": 0.05087642734434028,
            "volume": 78.621872816016,
            "volume_molar": 11.83679962282165,
            "formula_full": "Li1 Lu2 Ru1",
            "formula_reduced": "LiLu2Ru",
            "formula_anonymous": "ABC2",
            "energy": -21.67290359,
            "energy_per_atom": -5.4182258975,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -21.67290359,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0030964,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:51.978000Z",
            "spacegroup": 225
        },
        {
            "id": "mp-1048678",
            "created_at": "2022-09-04T14:40:26.023500Z",
            "structure_string": "Ca7 Ti8 S16\n1.0\n3.614839 -6.261085 0.000000\n3.614839 6.261085 0.000000\n0.000000 0.000000 13.224463\nCa Ti S\n7 8 16\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.000000 Ca\n0.000000 0.500000 0.500000 Ca\n0.500000 0.000000 0.000000 Ca\n0.500000 0.000000 0.500000 Ca\n0.500000 0.500000 0.000000 Ca\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.747038 Ti\n0.000000 0.000000 0.252962 Ti\n0.963574 0.481787 0.750635 Ti\n0.036426 0.518213 0.249365 Ti\n0.518213 0.036426 0.750635 Ti\n0.481787 0.963574 0.249365 Ti\n0.518213 0.481787 0.750635 Ti\n0.481787 0.518213 0.249365 Ti\n0.333077 0.166539 0.142314 S\n0.334967 0.167483 0.639715 S\n0.333333 0.666667 0.131096 S\n0.333333 0.666667 0.647181 S\n0.833461 0.166539 0.142314 S\n0.832517 0.167483 0.639715 S\n0.833461 0.666923 0.142314 S\n0.832517 0.665033 0.639715 S\n0.166539 0.333077 0.857686 S\n0.167483 0.334967 0.360285 S\n0.166539 0.833461 0.857686 S\n0.167483 0.832517 0.360285 S\n0.666667 0.333333 0.868904 S\n0.666667 0.333333 0.352819 S\n0.666923 0.833461 0.857686 S\n0.665033 0.832517 0.360285 S\n",
            "nsites": 31,
            "nelements": 3,
            "elements": [
                "Ca",
                "Ti",
                "S"
            ],
            "chemical_system": "Ca-S-Ti",
            "density": 3.2636422711137496,
            "density_atomic": 0.05178632509765894,
            "volume": 598.6136290138377,
            "volume_molar": 11.628824305728227,
            "formula_full": "Ca7 Ti8 S16",
            "formula_reduced": "Ca7(TiS2)8",
            "formula_anonymous": "A7B8C16",
            "energy": -199.88346559,
            "energy_per_atom": -6.447853728709677,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -191.83546559,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 1.035316,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:49.317000Z",
            "spacegroup": 164
        },
        {
            "id": "mp-1100489",
            "created_at": "2022-09-04T14:40:26.025726Z",
            "structure_string": "Li9 Mn7 O16\n1.0\n2.877085 5.842053 0.000000\n-2.877085 5.842053 0.000000\n0.000000 0.090930 8.836401\nLi Mn O\n9 7 16\ndirect\n0.621901 0.129933 0.242297 Li\n0.378099 0.870067 0.757703 Li\n0.129933 0.621901 0.242297 Li\n0.500000 0.500000 0.500000 Li\n0.252527 0.252527 0.001016 Li\n0.000000 0.000000 0.500000 Li\n0.870067 0.378099 0.757703 Li\n0.747473 0.747473 0.998984 Li\n0.500000 0.500000 0.000000 Li\n0.000000 0.000000 0.000000 Mn\n0.625126 0.128107 0.759612 Mn\n0.750107 0.750107 0.499939 Mn\n0.249893 0.249893 0.500061 Mn\n0.374874 0.871893 0.240388 Mn\n0.128107 0.625126 0.759612 Mn\n0.871893 0.374874 0.240388 Mn\n0.643520 0.119786 0.988027 O\n0.386089 0.885739 0.495477 O\n0.119786 0.643520 0.988027 O\n0.511647 0.511647 0.255291 O\n0.261108 0.261108 0.752745 O\n0.008850 0.008850 0.256574 O\n0.885739 0.386089 0.495477 O\n0.761638 0.761638 0.751079 O\n0.613911 0.114261 0.504523 O\n0.356480 0.880214 0.011973 O\n0.114261 0.613911 0.504523 O\n0.488353 0.488353 0.744709 O\n0.238362 0.238362 0.248921 O\n0.991150 0.991150 0.743426 O\n0.880214 0.356480 0.011973 O\n0.738892 0.738892 0.247255 O\n",
            "nsites": 32,
            "nelements": 3,
            "elements": [
                "Li",
                "Mn",
                "O"
            ],
            "chemical_system": "Li-Mn-O",
            "density": 3.9300376503826002,
            "density_atomic": 0.10772745030930236,
            "volume": 297.0459238394949,
            "volume_molar": 5.590163642330244,
            "formula_full": "Li9 Mn7 O16",
            "formula_reduced": "Li9Mn7O16",
            "formula_anonymous": "A7B9C16",
            "energy": -228.21046343,
            "energy_per_atom": -7.1315769821875,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -205.54246343,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 26.0041061,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:05.367000Z",
            "spacegroup": 12
        },
        {
            "id": "mp-1039999",
            "created_at": "2022-09-04T14:40:26.028807Z",
            "structure_string": "Na1 La1 Mg30 O32\n1.0\n8.624323 0.000000 0.000000\n0.000000 8.624323 0.000000\n0.000000 0.000000 8.666957\nNa La Mg O\n1 1 30 32\ndirect\n0.000000 0.000000 0.500000 Na\n0.000000 0.000000 0.000000 La\n0.000000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.000000 0.256625 0.260480 Mg\n0.000000 0.256625 0.739520 Mg\n0.000000 0.743375 0.260480 Mg\n0.000000 0.743375 0.739520 Mg\n0.500000 0.250383 0.251804 Mg\n0.500000 0.250383 0.748196 Mg\n0.500000 0.749617 0.251804 Mg\n0.500000 0.749617 0.748196 Mg\n0.256625 0.000000 0.260480 Mg\n0.256625 0.000000 0.739520 Mg\n0.250383 0.500000 0.251804 Mg\n0.250383 0.500000 0.748196 Mg\n0.743375 0.000000 0.260480 Mg\n0.743375 0.000000 0.739520 Mg\n0.749617 0.500000 0.251804 Mg\n0.749617 0.500000 0.748196 Mg\n0.257951 0.257951 0.000000 Mg\n0.249442 0.249442 0.500000 Mg\n0.257951 0.742049 0.000000 Mg\n0.249442 0.750558 0.500000 Mg\n0.742049 0.257951 0.000000 Mg\n0.750558 0.249442 0.500000 Mg\n0.742049 0.742049 0.000000 Mg\n0.750558 0.750558 0.500000 Mg\n0.269398 0.000000 0.000000 O\n0.265588 0.000000 0.500000 O\n0.253678 0.500000 0.000000 O\n0.252878 0.500000 0.500000 O\n0.730602 0.000000 0.000000 O\n0.734412 0.000000 0.500000 O\n0.746322 0.500000 0.000000 O\n0.747122 0.500000 0.500000 O\n0.249302 0.249302 0.248835 O\n0.249302 0.249302 0.751165 O\n0.249302 0.750698 0.248835 O\n0.249302 0.750698 0.751165 O\n0.750698 0.249302 0.248835 O\n0.750698 0.249302 0.751165 O\n0.750698 0.750698 0.248835 O\n0.750698 0.750698 0.751165 O\n0.000000 0.000000 0.258586 O\n0.000000 0.000000 0.741414 O\n0.000000 0.500000 0.250372 O\n0.000000 0.500000 0.749628 O\n0.500000 0.000000 0.250372 O\n0.500000 0.000000 0.749628 O\n0.500000 0.500000 0.249561 O\n0.500000 0.500000 0.750439 O\n0.000000 0.269398 0.000000 O\n0.000000 0.265588 0.500000 O\n0.000000 0.730602 0.000000 O\n0.000000 0.734412 0.500000 O\n0.500000 0.253678 0.000000 O\n0.500000 0.252878 0.500000 O\n0.500000 0.746322 0.000000 O\n0.500000 0.747122 0.500000 O\n",
            "nsites": 64,
            "nelements": 4,
            "elements": [
                "Na",
                "La",
                "Mg",
                "O"
            ],
            "chemical_system": "La-Mg-Na-O",
            "density": 3.6140833148077505,
            "density_atomic": 0.09928035130161401,
            "volume": 644.6391371598576,
            "volume_molar": 6.0657931615337635,
            "formula_full": "Na1 La1 Mg30 O32",
            "formula_reduced": "NaLaMg30O32",
            "formula_anonymous": "ABC30D32",
            "energy": -404.25476477,
            "energy_per_atom": -6.31648069953125,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -382.27076477,
            "band_gap": 3.7461,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.010934,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:56.337000Z",
            "spacegroup": 123
        },
        {
            "id": "mp-1228309",
            "created_at": "2022-09-04T14:40:26.032593Z",
            "structure_string": "Ba8 Ga10 Ag2 Se24\n1.0\n13.948879 0.000000 0.000000\n0.000000 13.948879 0.000000\n0.000000 0.000000 6.628305\nBa Ga Ag Se\n8 10 2 24\ndirect\n0.525724 0.212680 0.955862 Ba\n0.025695 0.287374 0.539403 Ba\n0.474276 0.787320 0.955862 Ba\n0.974305 0.712626 0.539403 Ba\n0.787320 0.525724 0.044138 Ba\n0.712626 0.025695 0.460597 Ba\n0.212680 0.474276 0.044138 Ba\n0.287374 0.974305 0.460597 Ba\n0.742849 0.361968 0.553506 Ga\n0.242939 0.138143 0.949010 Ga\n0.257151 0.638032 0.553506 Ga\n0.757061 0.861857 0.949010 Ga\n0.638032 0.742849 0.446494 Ga\n0.861857 0.242939 0.050990 Ga\n0.361968 0.257151 0.446494 Ga\n0.138143 0.757061 0.050990 Ga\n0.500000 0.500000 0.500000 Ga\n0.000000 0.000000 0.000000 Ga\n0.000000 0.500000 0.790577 Ag\n0.500000 0.000000 0.209423 Ag\n0.806850 0.214606 0.707236 Se\n0.307229 0.285271 0.792134 Se\n0.193150 0.785394 0.707236 Se\n0.692771 0.714729 0.792134 Se\n0.785394 0.806850 0.292764 Se\n0.714729 0.307229 0.207866 Se\n0.214606 0.193150 0.292764 Se\n0.285271 0.692771 0.207866 Se\n0.853117 0.495918 0.536334 Se\n0.352238 0.003276 0.958036 Se\n0.146883 0.504082 0.536334 Se\n0.647762 0.996724 0.958036 Se\n0.504082 0.853117 0.463666 Se\n0.996724 0.352238 0.041964 Se\n0.495918 0.146883 0.463666 Se\n0.003276 0.647762 0.041964 Se\n0.603780 0.416212 0.740257 Se\n0.104535 0.083496 0.759949 Se\n0.396220 0.583788 0.740257 Se\n0.895465 0.916504 0.759949 Se\n0.583788 0.603780 0.259743 Se\n0.916504 0.104535 0.240051 Se\n0.416212 0.396220 0.259743 Se\n0.083496 0.895465 0.240051 Se\n",
            "nsites": 44,
            "nelements": 4,
            "elements": [
                "Ba",
                "Ga",
                "Ag",
                "Se"
            ],
            "chemical_system": "Ag-Ba-Ga-Se",
            "density": 5.0300167960141335,
            "density_atomic": 0.03411705835644862,
            "volume": 1289.6774258875505,
            "volume_molar": 17.65140680383931,
            "formula_full": "Ba8 Ga10 Ag2 Se24",
            "formula_reduced": "Ba4Ga5AgSe12",
            "formula_anonymous": "AB4C5D12",
            "energy": -196.72353747,
            "energy_per_atom": -4.4709894879545455,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -185.39553747,
            "band_gap": 1.5706,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0001489,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:50.778000Z",
            "spacegroup": 81
        },
        {
            "id": "mp-1212070",
            "created_at": "2022-09-04T14:40:26.035726Z",
            "structure_string": "La46 Cd8 Rh14\n1.0\n5.069013 -8.779788 0.000000\n5.069013 8.779788 0.000000\n0.000000 0.000000 23.069589\nLa Cd Rh\n46 8 14\ndirect\n0.207088 0.414176 0.719269 La\n0.207088 0.792912 0.719269 La\n0.792912 0.585824 0.219269 La\n0.585824 0.792912 0.719269 La\n0.792912 0.207088 0.219269 La\n0.414176 0.207088 0.219269 La\n0.793507 0.587014 0.947839 La\n0.793507 0.206493 0.947839 La\n0.206493 0.412986 0.447839 La\n0.412986 0.206493 0.947839 La\n0.206493 0.793507 0.447839 La\n0.587014 0.793507 0.447839 La\n0.209629 0.419258 0.990273 La\n0.209629 0.790371 0.990273 La\n0.790371 0.580742 0.490273 La\n0.580742 0.790371 0.990273 La\n0.790371 0.209629 0.490273 La\n0.419258 0.209629 0.490273 La\n0.872395 0.744789 0.634873 La\n0.872395 0.127605 0.634873 La\n0.127605 0.255211 0.134873 La\n0.255211 0.127605 0.634873 La\n0.127605 0.872395 0.134873 La\n0.744789 0.872395 0.134873 La\n0.459217 0.918435 0.856097 La\n0.459217 0.540783 0.856097 La\n0.540783 0.081565 0.356097 La\n0.081565 0.540783 0.856097 La\n0.540783 0.459217 0.356097 La\n0.918435 0.459217 0.356097 La\n0.000000 0.000000 0.999261 La\n0.000000 0.000000 0.499261 La\n0.459414 0.918827 0.585279 La\n0.459414 0.540586 0.585279 La\n0.540586 0.081173 0.085279 La\n0.081173 0.540586 0.585279 La\n0.540586 0.459414 0.085279 La\n0.918827 0.459414 0.085279 La\n0.796640 0.593280 0.781744 La\n0.796640 0.203360 0.781744 La\n0.203360 0.406720 0.281744 La\n0.406720 0.203360 0.781744 La\n0.203360 0.796640 0.281744 La\n0.593280 0.796640 0.281744 La\n0.666667 0.333333 0.645541 La\n0.333333 0.666667 0.145541 La\n0.000000 0.000000 0.749398 Cd\n0.000000 0.000000 0.249398 Cd\n0.106251 0.212502 0.863103 Cd\n0.106251 0.893749 0.863103 Cd\n0.893749 0.787498 0.363103 Cd\n0.787498 0.893749 0.863103 Cd\n0.893749 0.106251 0.363103 Cd\n0.212502 0.106251 0.363103 Cd\n0.520246 0.040491 0.710675 Rh\n0.520246 0.479754 0.710675 Rh\n0.479754 0.959509 0.210675 Rh\n0.959509 0.479754 0.710675 Rh\n0.479754 0.520246 0.210675 Rh\n0.040491 0.520246 0.210675 Rh\n0.666667 0.333333 0.865540 Rh\n0.333333 0.666667 0.365540 Rh\n0.144176 0.288353 0.563175 Rh\n0.144176 0.855824 0.563175 Rh\n0.855824 0.711647 0.063175 Rh\n0.711647 0.855824 0.563175 Rh\n0.855824 0.144176 0.063175 Rh\n0.288353 0.144176 0.063175 Rh\n",
            "nsites": 68,
            "nelements": 3,
            "elements": [
                "La",
                "Cd",
                "Rh"
            ],
            "chemical_system": "Cd-La-Rh",
            "density": 7.059386842964739,
            "density_atomic": 0.03311552352957242,
            "volume": 2053.4176347620014,
            "volume_molar": 18.185250052357414,
            "formula_full": "La46 Cd8 Rh14",
            "formula_reduced": "La23Cd4Rh7",
            "formula_anonymous": "A4B7C23",
            "energy": -369.52989125,
            "energy_per_atom": -5.434263106617647,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -369.52989125,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.459429,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:02.072000Z",
            "spacegroup": 186
        }
    ]
}