GET /third-parties/MatprojStructure/?format=api&ordering=-formula_full&page=11501
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=-formula_full&page=11502",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_full&page=11500",
    "results": [
        {
            "id": "mp-13935",
            "created_at": "2022-09-04T14:42:17.015623Z",
            "structure_string": "Ba2 Yb1 Re1 O6\n1.0\n0.000000 4.214037 4.214037\n4.214037 0.000000 4.214037\n4.214037 4.214037 0.000000\nBa Yb Re O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Yb\n0.000000 0.000000 0.000000 Re\n0.769600 0.230400 0.769600 O\n0.230400 0.230400 0.769600 O\n0.769600 0.769600 0.230400 O\n0.769600 0.230400 0.230400 O\n0.230400 0.769600 0.230400 O\n0.230400 0.769600 0.769600 O\n",
            "nsites": 10,
            "nelements": 4,
            "elements": [
                "Ba",
                "Yb",
                "Re",
                "O"
            ],
            "chemical_system": "Ba-O-Re-Yb",
            "density": 8.09815127139008,
            "density_atomic": 0.06681515356670303,
            "volume": 149.66664695332594,
            "volume_molar": 9.01313615030154,
            "formula_full": "Ba2 Yb1 Re1 O6",
            "formula_reduced": "Ba2YbReO6",
            "formula_anonymous": "ABC2D6",
            "energy": -77.44806718,
            "energy_per_atom": -7.7448067179999995,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -73.32606718,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 0.9730289,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:45.145000Z",
            "spacegroup": 225
        },
        {
            "id": "mp-1205639",
            "created_at": "2022-09-04T14:45:38.012290Z",
            "structure_string": "Ba2 Yb1 Pa1 O6\n1.0\n-4.409394 -4.409394 0.000000\n-4.409394 0.000000 -4.409394\n0.000000 -4.409394 -4.409394\nBa Yb Pa O\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Ba\n0.500000 0.500000 0.500000 Yb\n0.000000 0.000000 0.000000 Pa\n0.756430 0.756430 0.243570 O\n0.243570 0.243570 0.756430 O\n0.756430 0.243570 0.756430 O\n0.243570 0.756430 0.243570 O\n0.243570 0.756430 0.756430 O\n0.756430 0.243570 0.243570 O\n",
            "nsites": 10,
            "nelements": 4,
            "elements": [
                "Ba",
                "Yb",
                "Pa",
                "O"
            ],
            "chemical_system": "Ba-O-Pa-Yb",
            "density": 7.502926112052025,
            "density_atomic": 0.05832211755392026,
            "volume": 171.46153842501946,
            "volume_molar": 10.325655193216157,
            "formula_full": "Ba2 Yb1 Pa1 O6",
            "formula_reduced": "Ba2YbPaO6",
            "formula_anonymous": "ABC2D6",
            "energy": -79.11570434,
            "energy_per_atom": -7.911570434,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -74.99370434,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 1.0001538,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:12.184000Z",
            "spacegroup": 225
        },
        {
            "id": "mp-19751",
            "created_at": "2022-09-04T14:41:37.203445Z",
            "structure_string": "Ba2 Yb1 Nb1 O6\n1.0\n0.000000 4.288203 4.288203\n4.288203 0.000000 4.288203\n4.288203 4.288203 0.000000\nBa Yb Nb O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Yb\n0.000000 0.000000 0.000000 Nb\n0.765006 0.765006 0.234994 O\n0.765006 0.234994 0.765006 O\n0.234994 0.765006 0.234994 O\n0.765006 0.234994 0.234994 O\n0.234994 0.234994 0.765006 O\n0.234994 0.765006 0.765006 O\n",
            "nsites": 10,
            "nelements": 4,
            "elements": [
                "Ba",
                "Yb",
                "Nb",
                "O"
            ],
            "chemical_system": "Ba-Nb-O-Yb",
            "density": 6.702819592178128,
            "density_atomic": 0.06340799129856088,
            "volume": 157.70882810203392,
            "volume_molar": 9.497447619250918,
            "formula_full": "Ba2 Yb1 Nb1 O6",
            "formula_reduced": "Ba2YbNbO6",
            "formula_anonymous": "ABC2D6",
            "energy": -76.76843037,
            "energy_per_atom": -7.676843037,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -72.64643037,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.9994241,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:28.031000Z",
            "spacegroup": 225
        },
        {
            "id": "mp-1205934",
            "created_at": "2022-09-04T14:42:45.529726Z",
            "structure_string": "Ba2 Yb1 Mo1 O6\n1.0\n0.000000 4.231627 4.231627\n4.231627 0.000000 4.231627\n4.231627 4.231627 0.000000\nBa Yb Mo O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Yb\n0.000000 0.000000 0.000000 Mo\n0.769117 0.230883 0.230883 O\n0.230883 0.769117 0.769117 O\n0.230883 0.769117 0.230883 O\n0.769117 0.230883 0.769117 O\n0.230883 0.230883 0.769117 O\n0.769117 0.769117 0.230883 O\n",
            "nsites": 10,
            "nelements": 4,
            "elements": [
                "Ba",
                "Yb",
                "Mo",
                "O"
            ],
            "chemical_system": "Ba-Mo-O-Yb",
            "density": 7.008515849019473,
            "density_atomic": 0.06598540184467744,
            "volume": 151.54867168254773,
            "volume_molar": 9.126474328633284,
            "formula_full": "Ba2 Yb1 Mo1 O6",
            "formula_reduced": "Ba2YbMoO6",
            "formula_anonymous": "ABC2D6",
            "energy": -75.68326327999999,
            "energy_per_atom": -7.5683263279999995,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -68.35926328,
            "band_gap": 2.2435,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 3e-07,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:55.440000Z",
            "spacegroup": 225
        },
        {
            "id": "mp-15039",
            "created_at": "2022-09-04T14:40:22.114839Z",
            "structure_string": "Ba2 Yb1 Cu4 O8\n1.0\n1.916185 -13.946990 0.000000\n1.916185 13.946990 0.000000\n0.000000 0.000000 3.864227\nBa Yb Cu O\n2 1 4 8\ndirect\n0.369583 0.630417 0.500000 Ba\n0.630417 0.369583 0.500000 Ba\n0.500000 0.500000 0.500000 Yb\n0.942778 0.057222 0.000000 Cu\n0.057222 0.942778 0.000000 Cu\n0.787805 0.212195 0.000000 Cu\n0.212195 0.787805 0.000000 Cu\n0.279947 0.720053 0.000000 O\n0.720053 0.279947 0.000000 O\n0.447053 0.552947 0.000000 O\n0.552947 0.447053 0.000000 O\n0.946453 0.053547 0.500000 O\n0.053547 0.946453 0.500000 O\n0.853265 0.146735 0.000000 O\n0.146735 0.853265 0.000000 O\n",
            "nsites": 15,
            "nelements": 4,
            "elements": [
                "Ba",
                "Yb",
                "Cu",
                "O"
            ],
            "chemical_system": "Ba-Cu-O-Yb",
            "density": 6.671911625695413,
            "density_atomic": 0.07262409057571076,
            "volume": 206.54303387610025,
            "volume_molar": 8.292208153328827,
            "formula_full": "Ba2 Yb1 Cu4 O8",
            "formula_reduced": "Ba2Yb(CuO2)4",
            "formula_anonymous": "AB2C4D8",
            "energy": -90.30496532,
            "energy_per_atom": -6.020331021333333,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -84.80896532,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0006418,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:50.455000Z",
            "spacegroup": 65
        },
        {
            "id": "mp-1214570",
            "created_at": "2022-09-04T14:43:04.226777Z",
            "structure_string": "Ba2 Yb1 Cu3 O7\n1.0\n3.838035 0.000000 0.000000\n0.000000 3.875618 0.000000\n0.000000 0.000000 11.883275\nBa Yb Cu O\n2 1 3 7\ndirect\n0.500000 0.500000 0.188619 Ba\n0.500000 0.500000 0.811381 Ba\n0.500000 0.500000 0.500000 Yb\n0.000000 0.000000 0.356988 Cu\n0.000000 0.000000 0.643012 Cu\n0.000000 0.000000 0.000000 Cu\n0.500000 0.000000 0.375355 O\n0.500000 0.000000 0.624645 O\n0.000000 0.500000 0.374079 O\n0.000000 0.500000 0.625921 O\n0.000000 0.000000 0.156749 O\n0.000000 0.000000 0.843251 O\n0.000000 0.500000 0.000000 O\n",
            "nsites": 13,
            "nelements": 4,
            "elements": [
                "Ba",
                "Yb",
                "Cu",
                "O"
            ],
            "chemical_system": "Ba-Cu-O-Yb",
            "density": 7.048782212569048,
            "density_atomic": 0.07354570401223007,
            "volume": 176.7608342947972,
            "volume_molar": 8.188297115217726,
            "formula_full": "Ba2 Yb1 Cu3 O7",
            "formula_reduced": "Ba2YbCu3O7",
            "formula_anonymous": "AB2C3D7",
            "energy": -78.65114693,
            "energy_per_atom": -6.050088225384615,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -73.84214693,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.2036516,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:56.537000Z",
            "spacegroup": 47
        },
        {
            "id": "mp-1182797",
            "created_at": "2022-09-04T14:39:31.849321Z",
            "structure_string": "Ba2 Yb1 Bi1 O6\n1.0\n1.795818 5.115206 8.829508\n-3.542172 4.973505 6.088020\n-1.754944 -5.151830 -2.702856\nBa Yb Bi O\n2 1 1 6\ndirect\n0.509922 0.745431 0.019429 Ba\n0.490078 0.254569 0.980571 Ba\n0.000000 0.500000 0.000000 Yb\n0.000000 0.000000 0.000000 Bi\n0.923315 0.772793 0.870930 O\n0.485380 0.680022 0.398545 O\n0.934318 0.825101 0.456640 O\n0.076685 0.227207 0.129070 O\n0.514620 0.319978 0.601455 O\n0.065682 0.174899 0.543360 O\n",
            "nsites": 10,
            "nelements": 4,
            "elements": [
                "Ba",
                "Yb",
                "Bi",
                "O"
            ],
            "chemical_system": "Ba-Bi-O-Yb",
            "density": 7.495176064787652,
            "density_atomic": 0.05996911969845583,
            "volume": 166.75248945262564,
            "volume_molar": 10.042069635641267,
            "formula_full": "Ba2 Yb1 Bi1 O6",
            "formula_reduced": "Ba2YbBiO6",
            "formula_anonymous": "ABC2D6",
            "energy": -64.08098978000001,
            "energy_per_atom": -6.408098978000001,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -59.95898978,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.9999507,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:26.640000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-545436",
            "created_at": "2022-09-04T14:48:20.733549Z",
            "structure_string": "Ba2 Yb1 Bi1 O6\n1.0\n5.325865 -3.091049 0.000000\n5.325865 3.091049 0.000000\n3.531868 0.000000 5.044336\nBa Yb Bi O\n2 1 1 6\ndirect\n0.750136 0.750136 0.750136 Ba\n0.249864 0.249864 0.249864 Ba\n0.500000 0.500000 0.500000 Yb\n0.000000 0.000000 0.000000 Bi\n0.790756 0.724453 0.241606 O\n0.209244 0.275547 0.758394 O\n0.724453 0.241606 0.790756 O\n0.241606 0.790756 0.724453 O\n0.275547 0.758394 0.209244 O\n0.758394 0.209244 0.275547 O\n",
            "nsites": 10,
            "nelements": 4,
            "elements": [
                "Ba",
                "Yb",
                "Bi",
                "O"
            ],
            "chemical_system": "Ba-Bi-O-Yb",
            "density": 7.525305220829997,
            "density_atomic": 0.06021018394424524,
            "volume": 166.08486048240647,
            "volume_molar": 10.001864079300134,
            "formula_full": "Ba2 Yb1 Bi1 O6",
            "formula_reduced": "Ba2YbBiO6",
            "formula_anonymous": "ABC2D6",
            "energy": -64.23630991,
            "energy_per_atom": -6.4236309910000005,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -60.11430991,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.9993289,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:38:51.530000Z",
            "spacegroup": 148
        },
        {
            "id": "mp-1201554",
            "created_at": "2022-09-04T14:42:51.992184Z",
            "structure_string": "Ba2 Yb12 Si14 O48\n1.0\n27.906554 0.000000 0.000000\n0.000000 5.665680 0.000000\n0.000000 2.011753 6.753790\nBa Yb Si O\n2 12 14 48\ndirect\n0.750000 0.712949 0.911559 Ba\n0.250000 0.287051 0.088441 Ba\n0.687406 0.111973 0.240601 Yb\n0.187406 0.888027 0.759399 Yb\n0.312594 0.888027 0.759399 Yb\n0.812594 0.111973 0.240601 Yb\n0.600722 0.782901 0.591720 Yb\n0.100722 0.217099 0.408280 Yb\n0.399278 0.217099 0.408280 Yb\n0.899278 0.782901 0.591720 Yb\n0.542379 0.181602 0.818231 Yb\n0.042379 0.818398 0.181769 Yb\n0.457621 0.818398 0.181769 Yb\n0.957621 0.181602 0.818231 Yb\n0.473615 0.722073 0.701856 Si\n0.973615 0.277927 0.298144 Si\n0.526385 0.277927 0.298144 Si\n0.026385 0.722073 0.701856 Si\n0.610983 0.680485 0.113503 Si\n0.110983 0.319515 0.886497 Si\n0.389017 0.319515 0.886497 Si\n0.889017 0.680485 0.113503 Si\n0.669740 0.251621 0.696854 Si\n0.169740 0.748379 0.303146 Si\n0.330260 0.748379 0.303146 Si\n0.830260 0.251621 0.696854 Si\n0.750000 0.546434 0.423605 Si\n0.250000 0.453566 0.576395 Si\n0.450512 0.879617 0.491445 O\n0.950512 0.120383 0.508555 O\n0.549488 0.120383 0.508555 O\n0.049488 0.879617 0.491445 O\n0.524650 0.593921 0.674884 O\n0.024650 0.406079 0.325116 O\n0.475350 0.406079 0.325116 O\n0.975350 0.593921 0.674884 O\n0.434985 0.497994 0.795576 O\n0.934985 0.502006 0.204424 O\n0.565015 0.502006 0.204424 O\n0.065015 0.497994 0.795576 O\n0.480985 0.885503 0.855720 O\n0.980985 0.114497 0.144280 O\n0.519015 0.114497 0.144280 O\n0.019015 0.885503 0.855720 O\n0.658992 0.520338 0.095532 O\n0.158992 0.479662 0.904468 O\n0.341008 0.479662 0.904468 O\n0.841008 0.520338 0.095532 O\n0.593968 0.848531 0.897608 O\n0.093968 0.151469 0.102392 O\n0.406032 0.151469 0.102392 O\n0.906032 0.848531 0.897608 O\n0.624912 0.835951 0.267038 O\n0.124912 0.164049 0.732962 O\n0.375088 0.164049 0.732962 O\n0.875088 0.835951 0.267038 O\n0.697168 0.128733 0.908196 O\n0.197168 0.871267 0.091804 O\n0.302832 0.871267 0.091804 O\n0.802832 0.128733 0.908196 O\n0.618015 0.367856 0.731794 O\n0.118015 0.632144 0.268206 O\n0.381985 0.632144 0.268206 O\n0.881985 0.367856 0.731794 O\n0.665603 0.059242 0.565461 O\n0.165603 0.940758 0.434539 O\n0.334397 0.940758 0.434539 O\n0.834397 0.059242 0.565461 O\n0.703436 0.497038 0.579156 O\n0.203436 0.502962 0.420844 O\n0.296564 0.502962 0.420844 O\n0.796564 0.497038 0.579156 O\n0.750000 0.360258 0.285271 O\n0.250000 0.639742 0.714729 O\n0.750000 0.830673 0.290254 O\n0.250000 0.169327 0.709746 O\n",
            "nsites": 76,
            "nelements": 4,
            "elements": [
                "Ba",
                "Yb",
                "Si",
                "O"
            ],
            "chemical_system": "Ba-O-Si-Yb",
            "density": 5.46179212786056,
            "density_atomic": 0.071171773218928,
            "volume": 1067.839068252805,
            "volume_molar": 8.461417339533735,
            "formula_full": "Ba2 Yb12 Si14 O48",
            "formula_reduced": "BaYb6Si7O24",
            "formula_anonymous": "AB6C7D24",
            "energy": -575.10010548,
            "energy_per_atom": -7.567106651052632,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -542.12410548,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 12.0000147,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:55.959000Z",
            "spacegroup": 11
        },
        {
            "id": "mp-1019546",
            "created_at": "2022-09-04T14:45:27.000751Z",
            "structure_string": "Ba2 Y8 Si10 O34\n1.0\n20.029542 0.000000 0.000000\n0.000000 5.595465 0.000000\n0.000000 1.995077 6.656800\nBa Y Si O\n2 8 10 34\ndirect\n0.750000 0.755763 0.809599 Ba\n0.250000 0.244237 0.190401 Ba\n0.538775 0.698240 0.117459 Y\n0.038775 0.301760 0.882541 Y\n0.461225 0.301760 0.882541 Y\n0.961225 0.698240 0.117459 Y\n0.658167 0.352308 0.481805 Y\n0.158167 0.647692 0.518195 Y\n0.341833 0.647692 0.518195 Y\n0.841833 0.352308 0.481805 Y\n0.750000 0.936572 0.280987 Si\n0.250000 0.063428 0.719013 Si\n0.635742 0.228662 0.007955 Si\n0.135742 0.771338 0.992045 Si\n0.364258 0.771338 0.992045 Si\n0.864258 0.228662 0.007955 Si\n0.560736 0.803839 0.594795 Si\n0.060736 0.196161 0.405205 Si\n0.439264 0.196161 0.405205 Si\n0.939264 0.803839 0.594795 Si\n0.750000 0.132926 0.416357 O\n0.250000 0.867074 0.583643 O\n0.750000 0.644060 0.417749 O\n0.250000 0.355940 0.582251 O\n0.683918 0.983021 0.130585 O\n0.183918 0.016979 0.869415 O\n0.316082 0.016979 0.869415 O\n0.816082 0.983021 0.130585 O\n0.673280 0.361852 0.797100 O\n0.173280 0.638148 0.202900 O\n0.326720 0.638148 0.202900 O\n0.826720 0.361852 0.797100 O\n0.563574 0.102019 0.983285 O\n0.063574 0.897981 0.016715 O\n0.436426 0.897981 0.016715 O\n0.936426 0.102019 0.983285 O\n0.629476 0.420366 0.148503 O\n0.129476 0.579634 0.851497 O\n0.370524 0.579634 0.851497 O\n0.870524 0.420366 0.148503 O\n0.627828 0.958075 0.614921 O\n0.127828 0.041925 0.385079 O\n0.372172 0.041925 0.385079 O\n0.872172 0.958075 0.614921 O\n0.534218 0.625476 0.812462 O\n0.034218 0.374524 0.187538 O\n0.465782 0.374524 0.187538 O\n0.965782 0.625476 0.812462 O\n0.500000 0.000000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.573327 0.631278 0.440240 O\n0.073327 0.368722 0.559760 O\n0.426673 0.368722 0.559760 O\n0.926673 0.631278 0.440240 O\n",
            "nsites": 54,
            "nelements": 4,
            "elements": [
                "Ba",
                "Y",
                "Si",
                "O"
            ],
            "chemical_system": "Ba-O-Si-Y",
            "density": 4.030244354955727,
            "density_atomic": 0.07238041161623152,
            "volume": 746.0582054480932,
            "volume_molar": 8.320125052521142,
            "formula_full": "Ba2 Y8 Si10 O34",
            "formula_reduced": "BaY4Si5O17",
            "formula_anonymous": "AB4C5D17",
            "energy": -473.70500161,
            "energy_per_atom": -8.77231484462963,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -450.34700161,
            "band_gap": 4.6386,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0066846,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:00.864000Z",
            "spacegroup": 11
        },
        {
            "id": "mp-752674",
            "created_at": "2022-09-04T14:40:25.198390Z",
            "structure_string": "Ba2 Y6 F22\n1.0\n7.737619 0.000000 0.000000\n-3.650416 -7.403194 0.000000\n-3.491971 0.194703 -7.512567\nBa Y F\n2 6 22\ndirect\n0.688968 0.247055 0.662663 Ba\n0.311032 0.752945 0.337337 Ba\n0.728969 0.250791 0.210216 Y\n0.229305 0.266124 0.712595 Y\n0.193078 0.250109 0.159991 Y\n0.806922 0.749891 0.840009 Y\n0.770695 0.733876 0.287405 Y\n0.271031 0.749209 0.789784 Y\n0.002904 0.047168 0.830882 F\n0.643538 0.950231 0.226927 F\n0.903546 0.196760 0.501261 F\n0.427483 0.276739 0.022384 F\n0.548940 0.877126 0.688221 F\n0.282099 0.234190 0.468114 F\n0.068590 0.401250 0.258312 F\n0.816442 0.190839 0.006993 F\n0.857141 0.605298 0.109921 F\n0.565821 0.459735 0.767226 F\n0.237090 0.540945 0.620622 F\n0.762910 0.459055 0.379378 F\n0.434179 0.540265 0.232774 F\n0.142859 0.394702 0.890079 F\n0.183558 0.809161 0.993007 F\n0.931410 0.598750 0.741688 F\n0.717901 0.765810 0.531886 F\n0.451060 0.122874 0.311779 F\n0.572517 0.723261 0.977616 F\n0.096454 0.803240 0.498739 F\n0.356462 0.049769 0.773073 F\n0.997096 0.952832 0.169118 F\n",
            "nsites": 30,
            "nelements": 3,
            "elements": [
                "Ba",
                "Y",
                "F"
            ],
            "chemical_system": "Ba-F-Y",
            "density": 4.730900954910818,
            "density_atomic": 0.0697118206125348,
            "volume": 430.34308581241874,
            "volume_molar": 8.638622126183813,
            "formula_full": "Ba2 Y6 F22",
            "formula_reduced": "BaY3F11",
            "formula_anonymous": "AB3C11",
            "energy": -215.34035703,
            "energy_per_atom": -7.1780119010000005,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -205.17635703,
            "band_gap": 6.8698,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0039649,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:55.678000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-778080",
            "created_at": "2022-09-04T14:40:09.041978Z",
            "structure_string": "Ba2 Y6 F22\n1.0\n4.429299 0.000000 0.000000\n0.000000 8.680517 0.000000\n0.000000 0.000000 16.266705\nBa Y F\n2 6 22\ndirect\n0.000000 0.250000 0.014784 Ba\n0.000000 0.750000 0.985216 Ba\n0.000000 0.001103 0.235516 Y\n0.000000 0.498897 0.235516 Y\n0.000000 0.500000 0.500000 Y\n0.000000 0.000000 0.500000 Y\n0.000000 0.501103 0.764484 Y\n0.000000 0.998897 0.764484 Y\n0.500000 0.250000 0.074846 F\n0.000000 0.533458 0.101921 F\n0.000000 0.966542 0.101921 F\n0.000000 0.250000 0.207471 F\n0.500000 0.993331 0.240603 F\n0.500000 0.506669 0.240603 F\n0.000000 0.750000 0.253674 F\n0.000000 0.448928 0.368004 F\n0.000000 0.051072 0.368004 F\n0.000000 0.750000 0.473551 F\n0.500000 0.500000 0.500000 F\n0.500000 0.000000 0.500000 F\n0.000000 0.250000 0.526449 F\n0.000000 0.551072 0.631996 F\n0.000000 0.948928 0.631996 F\n0.000000 0.250000 0.746326 F\n0.500000 0.493331 0.759397 F\n0.500000 0.006669 0.759397 F\n0.000000 0.750000 0.792529 F\n0.000000 0.466542 0.898079 F\n0.000000 0.033458 0.898079 F\n0.500000 0.750000 0.925154 F\n",
            "nsites": 30,
            "nelements": 3,
            "elements": [
                "Ba",
                "Y",
                "F"
            ],
            "chemical_system": "Ba-F-Y",
            "density": 3.2552062037949465,
            "density_atomic": 0.04796683614781816,
            "volume": 625.4321195492189,
            "volume_molar": 12.554800865835144,
            "formula_full": "Ba2 Y6 F22",
            "formula_reduced": "BaY3F11",
            "formula_anonymous": "AB3C11",
            "energy": -214.54369301,
            "energy_per_atom": -7.151456433666667,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -204.37969301,
            "band_gap": 5.8515,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0005951,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:48.987000Z",
            "spacegroup": 51
        }
    ]
}