GET /third-parties/MatprojStructure/?format=api&ordering=is_theoretical&page=10
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=is_theoretical&page=11",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_theoretical&page=9",
    "results": [
        {
            "id": "mp-644246",
            "created_at": "2022-09-04T14:43:21.174423Z",
            "structure_string": "Eu1 H3 Pd1\n1.0\n3.830543 0.000000 0.000000\n0.000000 3.830543 0.000000\n0.000000 0.000000 3.830543\nEu H Pd\n1 3 1\ndirect\n0.500000 0.500000 0.500000 Eu\n0.000000 0.000000 0.500000 H\n0.000000 0.500000 0.000000 H\n0.500000 0.000000 0.000000 H\n0.000000 0.000000 0.000000 Pd\n",
            "nsites": 5,
            "nelements": 3,
            "elements": [
                "Eu",
                "H",
                "Pd"
            ],
            "chemical_system": "Eu-H-Pd",
            "density": 7.723010887586597,
            "density_atomic": 0.08895881284678393,
            "volume": 56.20578602607512,
            "volume_molar": 6.769583099509307,
            "formula_full": "Eu1 H3 Pd1",
            "formula_reduced": "EuH3Pd",
            "formula_anonymous": "ABC3",
            "energy": -28.29552475,
            "energy_per_atom": -5.65910495,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -28.29552475,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 6.8864342,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:07.785000Z",
            "spacegroup": 221
        },
        {
            "id": "mp-1200718",
            "created_at": "2022-09-04T14:43:21.301362Z",
            "structure_string": "Cs8 In4 Cl20 O4\n1.0\n7.497733 0.000000 0.000000\n0.000000 11.524912 0.000000\n0.000000 0.000000 14.652192\nCs In Cl O\n8 4 20 4\ndirect\n0.211899 0.490595 0.370630 Cs\n0.288101 0.009405 0.870630 Cs\n0.788101 0.990595 0.629370 Cs\n0.711899 0.509405 0.129370 Cs\n0.788101 0.509405 0.629370 Cs\n0.711899 0.990595 0.129370 Cs\n0.211899 0.009405 0.370630 Cs\n0.288101 0.490595 0.870630 Cs\n0.262798 0.750000 0.616182 In\n0.237202 0.750000 0.116182 In\n0.737202 0.250000 0.383818 In\n0.762798 0.250000 0.883818 In\n0.899716 0.750000 0.237621 Cl\n0.600284 0.750000 0.737621 Cl\n0.100284 0.250000 0.762379 Cl\n0.399716 0.250000 0.262379 Cl\n0.399147 0.750000 0.261385 Cl\n0.100853 0.750000 0.761385 Cl\n0.600853 0.250000 0.738615 Cl\n0.899147 0.250000 0.238615 Cl\n0.447369 0.750000 0.987056 Cl\n0.052631 0.750000 0.487056 Cl\n0.552631 0.250000 0.012944 Cl\n0.947369 0.250000 0.512944 Cl\n0.225114 0.530091 0.109946 Cl\n0.274886 0.969909 0.609946 Cl\n0.774886 0.030091 0.890054 Cl\n0.725114 0.469909 0.390054 Cl\n0.774886 0.469909 0.890054 Cl\n0.725114 0.030091 0.390054 Cl\n0.225114 0.969909 0.109946 Cl\n0.274886 0.530091 0.609946 Cl\n0.949970 0.750000 0.124882 O\n0.550030 0.750000 0.624882 O\n0.050030 0.250000 0.875118 O\n0.449970 0.250000 0.375118 O\n",
            "nsites": 36,
            "nelements": 4,
            "elements": [
                "Cs",
                "In",
                "Cl",
                "O"
            ],
            "chemical_system": "Cl-Cs-In-O",
            "density": 3.0107178435034254,
            "density_atomic": 0.028433630215913767,
            "volume": 1266.1063580918162,
            "volume_molar": 21.17964084877745,
            "formula_full": "Cs8 In4 Cl20 O4",
            "formula_reduced": "Cs2InCl5O",
            "formula_anonymous": "ABC2D5",
            "energy": -126.15258524,
            "energy_per_atom": -3.5042384788888885,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -123.40458524,
            "band_gap": 2.6236,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0003697,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:17.827000Z",
            "spacegroup": 62
        },
        {
            "id": "mp-1196525",
            "created_at": "2022-09-04T14:43:20.917354Z",
            "structure_string": "Sm20 Rh16\n1.0\n7.500843 0.000000 0.000000\n0.000000 7.648155 0.000000\n0.000000 0.000000 14.924599\nSm Rh\n20 16\ndirect\n0.661707 0.168014 0.622257 Sm\n0.161707 0.331986 0.877743 Sm\n0.338293 0.831986 0.122257 Sm\n0.838293 0.668014 0.377743 Sm\n0.338293 0.831986 0.377743 Sm\n0.838293 0.668014 0.122257 Sm\n0.661707 0.168014 0.877743 Sm\n0.161707 0.331986 0.622257 Sm\n0.508609 0.680427 0.592464 Sm\n0.008609 0.819573 0.907536 Sm\n0.491391 0.319573 0.092464 Sm\n0.991391 0.180427 0.407536 Sm\n0.491391 0.319573 0.407536 Sm\n0.991391 0.180427 0.092464 Sm\n0.508609 0.680427 0.907536 Sm\n0.008609 0.819573 0.592464 Sm\n0.821143 0.513355 0.750000 Sm\n0.321143 0.986645 0.750000 Sm\n0.178857 0.486645 0.250000 Sm\n0.678857 0.013355 0.250000 Sm\n0.679472 0.969975 0.459552 Rh\n0.179472 0.530025 0.040448 Rh\n0.320528 0.030025 0.959552 Rh\n0.820528 0.469975 0.540448 Rh\n0.320528 0.030025 0.540448 Rh\n0.820528 0.469975 0.959552 Rh\n0.679472 0.969975 0.040448 Rh\n0.179472 0.530025 0.459552 Rh\n0.457833 0.393385 0.750000 Rh\n0.957833 0.106615 0.750000 Rh\n0.542167 0.606615 0.250000 Rh\n0.042167 0.893385 0.250000 Rh\n0.696639 0.858995 0.750000 Rh\n0.196639 0.641005 0.750000 Rh\n0.303361 0.141005 0.250000 Rh\n0.803361 0.358995 0.250000 Rh\n",
            "nsites": 36,
            "nelements": 2,
            "elements": [
                "Sm",
                "Rh"
            ],
            "chemical_system": "Rh-Sm",
            "density": 9.025617684065997,
            "density_atomic": 0.0420468120272409,
            "volume": 856.1885732663075,
            "volume_molar": 14.322466959203547,
            "formula_full": "Sm20 Rh16",
            "formula_reduced": "Sm5Rh4",
            "formula_anonymous": "A4B5",
            "energy": -237.48713662,
            "energy_per_atom": -6.5968649061111115,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -237.48713662,
            "band_gap": 0.0010000000000003,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0321688,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:14.538000Z",
            "spacegroup": 62
        },
        {
            "id": "mp-738670",
            "created_at": "2022-09-04T14:43:21.517925Z",
            "structure_string": "H40 C16 N8 O24\n1.0\n1.868454 14.428725 0.000000\n-1.868454 14.428725 0.000000\n0.000000 1.470709 16.218253\nH C N O\n40 16 8 24\ndirect\n0.714726 0.506866 0.508758 H\n0.493134 0.285274 0.991242 H\n0.285274 0.493134 0.491242 H\n0.506866 0.714726 0.008758 H\n0.211408 0.859149 0.465473 H\n0.140851 0.788592 0.034527 H\n0.788592 0.140851 0.534527 H\n0.859149 0.211408 0.965473 H\n0.375557 0.954859 0.378991 H\n0.045141 0.624443 0.121009 H\n0.624443 0.045141 0.621009 H\n0.954859 0.375557 0.878991 H\n0.714211 0.812059 0.563731 H\n0.187941 0.285789 0.936269 H\n0.285789 0.187941 0.436269 H\n0.812059 0.714211 0.063731 H\n0.009054 0.422055 0.715082 H\n0.577945 0.990946 0.784918 H\n0.990946 0.577945 0.284918 H\n0.422055 0.009054 0.215082 H\n0.927150 0.466457 0.615242 H\n0.533544 0.072850 0.884758 H\n0.072850 0.533544 0.384758 H\n0.466456 0.927150 0.115242 H\n0.133054 0.591527 0.730577 H\n0.408473 0.866946 0.769423 H\n0.866946 0.408473 0.269423 H\n0.591527 0.133054 0.230577 H\n0.943956 0.878951 0.868394 H\n0.121049 0.056044 0.631606 H\n0.056044 0.121049 0.131606 H\n0.878951 0.943956 0.368394 H\n0.289876 0.670973 0.321700 H\n0.329027 0.710124 0.178300 H\n0.710124 0.329027 0.678300 H\n0.670973 0.289876 0.821700 H\n0.448208 0.652863 0.369996 H\n0.347137 0.551792 0.130004 H\n0.551792 0.347137 0.630004 H\n0.652863 0.448208 0.869996 H\n0.636383 0.649666 0.476897 C\n0.350334 0.363617 0.023103 C\n0.363617 0.350334 0.523103 C\n0.649666 0.636383 0.976897 C\n0.791666 0.729258 0.628923 C\n0.270742 0.208334 0.871077 C\n0.208334 0.270742 0.371077 C\n0.729258 0.791666 0.128923 C\n0.128519 0.657380 0.766057 C\n0.342620 0.871481 0.733943 C\n0.871481 0.342620 0.233943 C\n0.657380 0.128519 0.266057 C\n0.187015 0.783658 0.383206 C\n0.216342 0.812985 0.116794 C\n0.812985 0.216342 0.616794 C\n0.783658 0.187015 0.883206 C\n0.927345 0.516711 0.655277 N\n0.483289 0.072655 0.844723 N\n0.072655 0.483289 0.344723 N\n0.516711 0.927345 0.155277 N\n0.298190 0.754431 0.409881 N\n0.245569 0.701810 0.090119 N\n0.701810 0.245569 0.590119 N\n0.754431 0.298190 0.909881 N\n0.721750 0.641096 0.502141 O\n0.358904 0.278250 0.997859 O\n0.278250 0.358904 0.497859 O\n0.641096 0.721750 0.002141 O\n0.446164 0.823158 0.409922 O\n0.176842 0.553836 0.090078 O\n0.553836 0.176842 0.590078 O\n0.823158 0.446164 0.909922 O\n0.748361 0.838481 0.672457 O\n0.161519 0.251639 0.827543 O\n0.251639 0.161519 0.327543 O\n0.838481 0.748361 0.172457 O\n0.270139 0.593734 0.740439 O\n0.406266 0.729861 0.759561 O\n0.729861 0.406266 0.259561 O\n0.593734 0.270139 0.240439 O\n0.951618 0.812368 0.837060 O\n0.187632 0.048382 0.662940 O\n0.048382 0.187632 0.162940 O\n0.812368 0.951618 0.337060 O\n0.981063 0.924603 0.423014 O\n0.075397 0.018937 0.076986 O\n0.018937 0.075397 0.576986 O\n0.924603 0.981063 0.923014 O\n",
            "nsites": 88,
            "nelements": 4,
            "elements": [
                "H",
                "C",
                "N",
                "O"
            ],
            "chemical_system": "C-H-N-O",
            "density": 1.3834100051358214,
            "density_atomic": 0.10063249468362741,
            "volume": 874.4690298760657,
            "volume_molar": 5.984290441107174,
            "formula_full": "H40 C16 N8 O24",
            "formula_reduced": "H5C2NO3",
            "formula_anonymous": "AB2C3D5",
            "energy": -549.8441699599999,
            "energy_per_atom": -6.248229204090908,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -530.46816996,
            "band_gap": 4.7722,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0001531,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:11.998000Z",
            "spacegroup": 15
        },
        {
            "id": "mp-555669",
            "created_at": "2022-09-04T14:43:21.861343Z",
            "structure_string": "Rb2 Zr2 Mn2 F14\n1.0\n3.386834 -5.599115 0.000000\n3.386834 5.599115 0.000000\n0.000000 0.000000 8.424063\nRb Zr Mn F\n2 2 2 14\ndirect\n0.500000 0.500000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.807239 0.192761 0.250000 Zr\n0.192761 0.807239 0.750000 Zr\n0.188782 0.811218 0.250000 Mn\n0.811218 0.188782 0.750000 Mn\n0.841153 0.553996 0.750000 F\n0.158847 0.446004 0.250000 F\n0.163738 0.466659 0.750000 F\n0.799781 0.200219 0.494276 F\n0.446004 0.158847 0.750000 F\n0.799781 0.200219 0.005724 F\n0.200219 0.799781 0.994276 F\n0.836262 0.533341 0.250000 F\n0.553996 0.841153 0.250000 F\n0.992807 0.007193 0.250000 F\n0.007193 0.992807 0.750000 F\n0.200219 0.799781 0.505724 F\n0.533341 0.836262 0.750000 F\n0.466659 0.163738 0.250000 F\n",
            "nsites": 20,
            "nelements": 4,
            "elements": [
                "Rb",
                "Zr",
                "Mn",
                "F"
            ],
            "chemical_system": "F-Mn-Rb-Zr",
            "density": 3.790121150778813,
            "density_atomic": 0.06259866846118287,
            "volume": 319.49561375098426,
            "volume_molar": 9.620237791055095,
            "formula_full": "Rb2 Zr2 Mn2 F14",
            "formula_reduced": "RbZrMnF7",
            "formula_anonymous": "ABCD7",
            "energy": -135.58206171999998,
            "energy_per_atom": -6.779103085999999,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -125.77806171999998,
            "band_gap": 2.3454,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 10.0006086,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:16.168000Z",
            "spacegroup": 63
        },
        {
            "id": "mp-5983",
            "created_at": "2022-09-04T14:43:21.864339Z",
            "structure_string": "Tm1 Co2 Ge2\n1.0\n-1.968493 1.968493 5.035275\n1.968493 -1.968493 5.035275\n1.968493 1.968493 -5.035275\nTm Co Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Tm\n0.750000 0.250000 0.500000 Co\n0.250000 0.750000 0.500000 Co\n0.626504 0.626504 0.000000 Ge\n0.373496 0.373496 0.000000 Ge\n",
            "nsites": 5,
            "nelements": 3,
            "elements": [
                "Tm",
                "Co",
                "Ge"
            ],
            "chemical_system": "Co-Ge-Tm",
            "density": 9.193120009422882,
            "density_atomic": 0.06406474016589629,
            "volume": 78.04605133888703,
            "volume_molar": 9.400086138499281,
            "formula_full": "Tm1 Co2 Ge2",
            "formula_reduced": "Tm(CoGe)2",
            "formula_anonymous": "AB2C2",
            "energy": -30.92462462,
            "energy_per_atom": -6.184924924,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -30.92462462,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0220753,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:17.103000Z",
            "spacegroup": 139
        },
        {
            "id": "mp-18607",
            "created_at": "2022-09-04T14:43:23.745197Z",
            "structure_string": "Mn4 Te6 O16\n1.0\n2.753908 6.552726 0.000000\n-2.753908 6.552726 0.000000\n0.000000 1.640036 11.943062\nMn Te O\n4 6 16\ndirect\n0.965949 0.574450 0.851158 Mn\n0.425550 0.034051 0.648842 Mn\n0.034051 0.425550 0.148842 Mn\n0.574450 0.965949 0.351158 Mn\n0.045219 0.676550 0.557851 Te\n0.323450 0.954781 0.942149 Te\n0.954781 0.323450 0.442149 Te\n0.676550 0.045219 0.057851 Te\n0.864665 0.135335 0.750000 Te\n0.135335 0.864665 0.250000 Te\n0.162111 0.445377 0.687792 O\n0.554623 0.837889 0.812208 O\n0.837889 0.554623 0.312208 O\n0.445377 0.162111 0.187792 O\n0.751410 0.723438 0.528155 O\n0.276562 0.248590 0.971845 O\n0.248590 0.276562 0.471845 O\n0.723438 0.751410 0.028155 O\n0.002010 0.231661 0.857728 O\n0.768339 0.997990 0.642272 O\n0.848271 0.000191 0.354442 O\n0.999809 0.151729 0.145558 O\n0.151729 0.999809 0.645558 O\n0.000191 0.848271 0.854442 O\n0.231661 0.002010 0.357728 O\n0.997990 0.768339 0.142272 O\n",
            "nsites": 26,
            "nelements": 3,
            "elements": [
                "Mn",
                "Te",
                "O"
            ],
            "chemical_system": "Mn-O-Te",
            "density": 4.782154813001958,
            "density_atomic": 0.06031929116449062,
            "volume": 431.0395480128909,
            "volume_molar": 9.983772427924643,
            "formula_full": "Mn4 Te6 O16",
            "formula_reduced": "Mn2Te3O8",
            "formula_anonymous": "A2B3C8",
            "energy": -179.77389995,
            "energy_per_atom": -6.914380767307692,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -162.10989995,
            "band_gap": 2.1851,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 19.9997063,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:13.380000Z",
            "spacegroup": 15
        },
        {
            "id": "mp-12752",
            "created_at": "2022-09-04T14:43:23.873710Z",
            "structure_string": "Zr4 Al3\n1.0\n2.727899 -4.724859 0.000000\n2.727899 4.724859 0.000000\n0.000000 0.000000 5.417055\nZr Al\n4 3\ndirect\n0.000000 0.000000 0.742451 Zr\n0.000000 0.000000 0.257549 Zr\n0.333333 0.666667 0.500000 Zr\n0.666667 0.333333 0.500000 Zr\n0.500000 0.000000 0.000000 Al\n0.500000 0.500000 0.000000 Al\n0.000000 0.500000 0.000000 Al\n",
            "nsites": 7,
            "nelements": 2,
            "elements": [
                "Zr",
                "Al"
            ],
            "chemical_system": "Al-Zr",
            "density": 5.301739040406556,
            "density_atomic": 0.05012884057120133,
            "volume": 139.64017360540055,
            "volume_molar": 12.01332544575084,
            "formula_full": "Zr4 Al3",
            "formula_reduced": "Zr4Al3",
            "formula_anonymous": "A3B4",
            "energy": -48.64926711,
            "energy_per_atom": -6.949895301428571,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -48.64926711,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0004849,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:17.037000Z",
            "spacegroup": 191
        },
        {
            "id": "mp-17986",
            "created_at": "2022-09-04T14:43:21.443299Z",
            "structure_string": "Ti4 Tl8 O12\n1.0\n3.869392 0.000000 0.000000\n0.000000 9.892316 0.000000\n0.000000 0.000000 12.791305\nTi Tl O\n4 8 12\ndirect\n0.750000 0.470240 0.904309 Ti\n0.250000 0.970240 0.595691 Ti\n0.250000 0.529760 0.095691 Ti\n0.750000 0.029760 0.404309 Ti\n0.250000 0.734605 0.344756 Tl\n0.250000 0.765395 0.844756 Tl\n0.750000 0.234605 0.155244 Tl\n0.750000 0.265395 0.655244 Tl\n0.250000 0.356281 0.395916 Tl\n0.750000 0.643719 0.604084 Tl\n0.750000 0.856281 0.104084 Tl\n0.250000 0.143719 0.895916 Tl\n0.250000 0.024631 0.442580 O\n0.750000 0.975369 0.557420 O\n0.750000 0.524631 0.057420 O\n0.250000 0.475369 0.942580 O\n0.250000 0.401080 0.195874 O\n0.750000 0.598920 0.804126 O\n0.750000 0.901080 0.304126 O\n0.750000 0.300071 0.848542 O\n0.750000 0.199929 0.348542 O\n0.250000 0.800071 0.651458 O\n0.250000 0.699929 0.151458 O\n0.250000 0.098920 0.695874 O\n",
            "nsites": 24,
            "nelements": 3,
            "elements": [
                "Ti",
                "Tl",
                "O"
            ],
            "chemical_system": "O-Ti-Tl",
            "density": 6.845861971518089,
            "density_atomic": 0.04901801007815217,
            "volume": 489.6159587411943,
            "volume_molar": 12.285567591174269,
            "formula_full": "Ti4 Tl8 O12",
            "formula_reduced": "TiTl2O3",
            "formula_anonymous": "AB2C3",
            "energy": -164.03017421,
            "energy_per_atom": -6.834590592083334,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -155.78617421,
            "band_gap": 2.0959000000000003,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0001015,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:13.639000Z",
            "spacegroup": 62
        },
        {
            "id": "mp-6164",
            "created_at": "2022-09-04T14:43:21.455329Z",
            "structure_string": "Sr32 Mo8 N32 O8\n1.0\n14.903378 0.000000 0.000000\n0.000000 9.024753 0.000000\n0.000000 2.276256 10.560758\nSr Mo N O\n32 8 32 8\ndirect\n0.639676 0.263111 0.608824 Sr\n0.139676 0.736889 0.391176 Sr\n0.360324 0.736889 0.391176 Sr\n0.860324 0.263111 0.608824 Sr\n0.372571 0.904608 0.776359 Sr\n0.872571 0.095392 0.223641 Sr\n0.627429 0.095392 0.223641 Sr\n0.127429 0.904608 0.776359 Sr\n0.369305 0.515377 0.016778 Sr\n0.869305 0.484623 0.983222 Sr\n0.630695 0.484623 0.983222 Sr\n0.130695 0.515377 0.016778 Sr\n0.500000 0.000000 0.500000 Sr\n0.000000 0.000000 0.500000 Sr\n0.499785 0.798067 0.106495 Sr\n0.999785 0.201933 0.893505 Sr\n0.500215 0.201933 0.893505 Sr\n0.000215 0.798067 0.106495 Sr\n0.750000 0.760176 0.126135 Sr\n0.250000 0.239824 0.873865 Sr\n0.750000 0.597991 0.694636 Sr\n0.896282 0.672603 0.434736 Sr\n0.603718 0.672603 0.434736 Sr\n0.103718 0.327397 0.565264 Sr\n0.626254 0.887303 0.802241 Sr\n0.126254 0.112697 0.197759 Sr\n0.373746 0.112697 0.197759 Sr\n0.873746 0.887303 0.802241 Sr\n0.250000 0.592072 0.684197 Sr\n0.750000 0.407928 0.315803 Sr\n0.250000 0.402009 0.305364 Sr\n0.396282 0.327397 0.565264 Sr\n0.750000 0.934564 0.482586 Mo\n0.250000 0.065436 0.517414 Mo\n0.516817 0.429861 0.252533 Mo\n0.016817 0.570139 0.747467 Mo\n0.483183 0.570139 0.747467 Mo\n0.983183 0.429861 0.252533 Mo\n0.250000 0.896393 0.037242 Mo\n0.750000 0.103607 0.962758 Mo\n0.854847 0.985728 0.019123 N\n0.750000 0.854953 0.334416 N\n0.750000 0.131114 0.786686 N\n0.250000 0.868886 0.213314 N\n0.087576 0.547848 0.248633 N\n0.587576 0.452152 0.751367 N\n0.912424 0.452152 0.751367 N\n0.412424 0.547848 0.248633 N\n0.250000 0.853429 0.568226 N\n0.750000 0.146571 0.431774 N\n0.351016 0.145612 0.423225 N\n0.851016 0.854388 0.576775 N\n0.648984 0.854388 0.576775 N\n0.148984 0.145612 0.423225 N\n0.250000 0.734939 0.947643 N\n0.750000 0.265061 0.052357 N\n0.645153 0.985728 0.019123 N\n0.145153 0.014272 0.980877 N\n0.354847 0.014272 0.980877 N\n0.006845 0.686934 0.875887 N\n0.387732 0.426997 0.800422 N\n0.887732 0.573003 0.199578 N\n0.612268 0.573003 0.199578 N\n0.112268 0.426997 0.800422 N\n0.543675 0.313251 0.411673 N\n0.043675 0.686749 0.588327 N\n0.456325 0.686749 0.588327 N\n0.956325 0.313251 0.411673 N\n0.493155 0.686934 0.875887 N\n0.993155 0.313066 0.124113 N\n0.506845 0.313066 0.124113 N\n0.250000 0.145047 0.665584 N\n0.997455 0.087990 0.707667 O\n0.497455 0.912010 0.292333 O\n0.002545 0.912010 0.292333 O\n0.502545 0.087990 0.707667 O\n0.750000 0.483330 0.513047 O\n0.250000 0.516670 0.486953 O\n0.250000 0.318437 0.097309 O\n0.750000 0.681563 0.902691 O\n",
            "nsites": 80,
            "nelements": 4,
            "elements": [
                "Sr",
                "Mo",
                "N",
                "O"
            ],
            "chemical_system": "Mo-N-O-Sr",
            "density": 4.848726056053985,
            "density_atomic": 0.05632158327388173,
            "volume": 1420.4146146065245,
            "volume_molar": 10.692420933402053,
            "formula_full": "Sr32 Mo8 N32 O8",
            "formula_reduced": "Sr4MoN4O",
            "formula_anonymous": "ABC4D4",
            "energy": -550.19683773,
            "energy_per_atom": -6.877460471625,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -507.53283773,
            "band_gap": 2.2746,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 5.19e-05,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:15.682000Z",
            "spacegroup": 11
        },
        {
            "id": "mp-570702",
            "created_at": "2022-09-04T14:43:21.998455Z",
            "structure_string": "Sm2 Cu4 Sn5\n1.0\n-2.212181 2.212181 12.515537\n2.212181 -2.212181 12.515537\n2.212181 2.212181 -12.515537\nSm Cu Sn\n2 4 5\ndirect\n0.003977 0.003977 0.000000 Sm\n0.684223 0.684223 0.000000 Sm\n0.550034 0.550034 0.000000 Cu\n0.592722 0.092722 0.500000 Cu\n0.455736 0.455736 0.000000 Cu\n0.092722 0.592722 0.500000 Cu\n0.780907 0.280907 0.500000 Sn\n0.280907 0.780907 0.500000 Sn\n0.397049 0.897049 0.500000 Sn\n0.897049 0.397049 0.500000 Sn\n0.151673 0.151673 0.000000 Sn\n",
            "nsites": 11,
            "nelements": 3,
            "elements": [
                "Sm",
                "Cu",
                "Sn"
            ],
            "chemical_system": "Cu-Sm-Sn",
            "density": 7.784162732046392,
            "density_atomic": 0.04489953977787728,
            "volume": 244.99137528843616,
            "volume_molar": 13.412477699754074,
            "formula_full": "Sm2 Cu4 Sn5",
            "formula_reduced": "Sm2Cu4Sn5",
            "formula_anonymous": "A2B4C5",
            "energy": -48.56864442,
            "energy_per_atom": -4.415331310909091,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -48.56864442,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.000614,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:07.965000Z",
            "spacegroup": 107
        },
        {
            "id": "mp-723378",
            "created_at": "2022-09-04T14:43:22.057861Z",
            "structure_string": "K4 Al4 H24 O8 F24\n1.0\n8.729156 0.000000 0.000000\n0.000000 8.729156 0.000000\n0.000000 0.000000 8.729156\nK Al H O F\n4 4 24 8 24\ndirect\n0.500000 0.500000 0.000000 K\n0.500000 0.000000 0.500000 K\n0.000000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 K\n0.500000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.500000 Al\n0.000000 0.500000 0.000000 Al\n0.359018 0.802181 0.202201 H\n0.640982 0.302181 0.297799 H\n0.140982 0.197819 0.702201 H\n0.859018 0.697819 0.797799 H\n0.202201 0.359018 0.802181 H\n0.297799 0.640982 0.302181 H\n0.702201 0.140982 0.197819 H\n0.797799 0.859018 0.697819 H\n0.802181 0.202201 0.359018 H\n0.302181 0.297799 0.640982 H\n0.197819 0.702201 0.140982 H\n0.697819 0.797799 0.859018 H\n0.640982 0.197819 0.797799 H\n0.359018 0.697819 0.702201 H\n0.859018 0.802181 0.297799 H\n0.140982 0.302181 0.202201 H\n0.797799 0.640982 0.197819 H\n0.702201 0.359018 0.697819 H\n0.297799 0.859018 0.802181 H\n0.202201 0.140982 0.302181 H\n0.197819 0.797799 0.640982 H\n0.697819 0.702201 0.359018 H\n0.802181 0.297799 0.859018 H\n0.302181 0.202201 0.140982 H\n0.302401 0.697599 0.197599 O\n0.697599 0.197599 0.302401 O\n0.197599 0.302401 0.697599 O\n0.802401 0.802401 0.802401 O\n0.697599 0.302401 0.802401 O\n0.302401 0.802401 0.697599 O\n0.802401 0.697599 0.302401 O\n0.197599 0.197599 0.197599 O\n0.449979 0.938535 0.195203 F\n0.550021 0.438535 0.304797 F\n0.050021 0.061465 0.695203 F\n0.949979 0.561465 0.804797 F\n0.195203 0.449979 0.938535 F\n0.304797 0.550021 0.438535 F\n0.695203 0.050021 0.061465 F\n0.804797 0.949979 0.561465 F\n0.938535 0.195203 0.449979 F\n0.438535 0.304797 0.550021 F\n0.061465 0.695203 0.050021 F\n0.561465 0.804797 0.949979 F\n0.550021 0.061465 0.804797 F\n0.449979 0.561465 0.695203 F\n0.949979 0.938535 0.304797 F\n0.050021 0.438535 0.195203 F\n0.804797 0.550021 0.061465 F\n0.695203 0.449979 0.561465 F\n0.304797 0.949979 0.938535 F\n0.195203 0.050021 0.438535 F\n0.061465 0.804797 0.550021 F\n0.561465 0.695203 0.449979 F\n0.938535 0.304797 0.949979 F\n0.438535 0.195203 0.050021 F\n",
            "nsites": 64,
            "nelements": 5,
            "elements": [
                "K",
                "Al",
                "H",
                "O",
                "F"
            ],
            "chemical_system": "Al-F-H-K-O",
            "density": 2.1781171677424056,
            "density_atomic": 0.09621952514595775,
            "volume": 665.1456645926785,
            "volume_molar": 6.25875127825134,
            "formula_full": "K4 Al4 H24 O8 F24",
            "formula_reduced": "KAlH6(OF3)2",
            "formula_anonymous": "ABC2D6E6",
            "energy": -336.10037004000003,
            "energy_per_atom": -5.2515682818750005,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -319.51637004,
            "band_gap": 6.9766,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.000257,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:16.356000Z",
            "spacegroup": 205
        }
    ]
}