GET /third-parties/MatprojStructure/?format=api&ordering=-formation_energy_per_atom&page=10373
HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept

{
    "count": 146323,
    "next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formation_energy_per_atom&page=10374",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formation_energy_per_atom&page=10372",
    "results": [
        {
            "id": "mp-1207688",
            "created_at": "2022-09-04T14:40:06.573002Z",
            "structure_string": "Yb12 Cr4 S24\n1.0\n3.694556 0.000000 0.000000\n0.000000 13.642203 0.000000\n0.000000 0.000000 15.697268\nYb Cr S\n12 4 24\ndirect\n0.000000 0.549278 0.284424 Yb\n0.000000 0.450722 0.715576 Yb\n0.500000 0.950722 0.784424 Yb\n0.500000 0.049278 0.215576 Yb\n0.000000 0.755389 0.099442 Yb\n0.000000 0.244611 0.900558 Yb\n0.500000 0.744611 0.599442 Yb\n0.500000 0.255389 0.400558 Yb\n0.000000 0.318972 0.153265 Yb\n0.000000 0.681028 0.846735 Yb\n0.500000 0.181028 0.653265 Yb\n0.500000 0.818972 0.346735 Yb\n0.000000 0.000000 0.500000 Cr\n0.500000 0.500000 0.000000 Cr\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.500000 Cr\n0.000000 0.127529 0.091650 S\n0.000000 0.872471 0.908350 S\n0.500000 0.372471 0.591650 S\n0.500000 0.627529 0.408350 S\n0.000000 0.177899 0.288674 S\n0.000000 0.822101 0.711326 S\n0.500000 0.322101 0.788674 S\n0.500000 0.677899 0.211326 S\n0.000000 0.172516 0.520629 S\n0.000000 0.827484 0.479371 S\n0.500000 0.327484 0.020629 S\n0.500000 0.672516 0.979371 S\n0.000000 0.519700 0.094733 S\n0.000000 0.480300 0.905267 S\n0.500000 0.980300 0.594733 S\n0.500000 0.019700 0.405267 S\n0.000000 0.098420 0.760051 S\n0.000000 0.901580 0.239949 S\n0.500000 0.401580 0.260051 S\n0.500000 0.598420 0.739949 S\n0.000000 0.419993 0.430804 S\n0.000000 0.580007 0.569196 S\n0.500000 0.080007 0.930804 S\n0.500000 0.919993 0.069196 S\n",
            "nsites": 40,
            "nelements": 3,
            "elements": [
                "Yb",
                "Cr",
                "S"
            ],
            "chemical_system": "Cr-S-Yb",
            "density": 6.40989278719863,
            "density_atomic": 0.05055791516840358,
            "volume": 791.1718643216167,
            "volume_molar": 11.911370830740994,
            "formula_full": "Yb12 Cr4 S24",
            "formula_reduced": "Yb3CrS6",
            "formula_anonymous": "AB3C6",
            "energy": -219.52337331,
            "energy_per_atom": -5.488084332750001,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -207.45137331,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 4.5783695,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:46.522000Z",
            "spacegroup": 58
        },
        {
            "id": "mp-977406",
            "created_at": "2022-09-04T14:40:06.575346Z",
            "structure_string": "Ho2 Al1 Os1\n1.0\n0.000000 3.482513 3.482513\n3.482513 0.000000 3.482513\n3.482513 3.482513 0.000000\nHo Al Os\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ho\n0.750000 0.750000 0.750000 Ho\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Os\n",
            "nsites": 4,
            "nelements": 3,
            "elements": [
                "Ho",
                "Al",
                "Os"
            ],
            "chemical_system": "Al-Ho-Os",
            "density": 10.754382828310515,
            "density_atomic": 0.047353464303106156,
            "volume": 84.47111650366877,
            "volume_molar": 12.71742384348631,
            "formula_full": "Ho2 Al1 Os1",
            "formula_reduced": "Ho2AlOs",
            "formula_anonymous": "ABC2",
            "energy": -25.30217358,
            "energy_per_atom": -6.325543395,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -25.30217358,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0013858,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:45.940000Z",
            "spacegroup": 225
        },
        {
            "id": "mp-9806",
            "created_at": "2022-09-04T14:40:06.581776Z",
            "structure_string": "K2 Gd2 C4 O12\n1.0\n4.883243 4.287682 0.000000\n-4.883243 4.287682 0.000000\n0.000000 2.519797 6.659480\nK Gd C O\n2 2 4 12\ndirect\n0.878036 0.121964 0.750000 K\n0.121964 0.878036 0.250000 K\n0.404793 0.595207 0.750000 Gd\n0.595207 0.404793 0.250000 Gd\n0.607287 0.855912 0.246490 C\n0.144088 0.392713 0.253510 C\n0.392713 0.144088 0.753510 C\n0.855912 0.607287 0.746490 C\n0.054384 0.595567 0.725661 O\n0.404433 0.945616 0.774339 O\n0.945616 0.404433 0.274339 O\n0.595567 0.054384 0.225661 O\n0.792730 0.747433 0.621726 O\n0.252567 0.207270 0.878274 O\n0.207270 0.252567 0.378274 O\n0.747433 0.792730 0.121726 O\n0.702651 0.469490 0.894505 O\n0.530510 0.297349 0.605495 O\n0.297349 0.530510 0.105495 O\n0.469490 0.702651 0.394505 O\n",
            "nsites": 20,
            "nelements": 4,
            "elements": [
                "K",
                "Gd",
                "C",
                "O"
            ],
            "chemical_system": "C-Gd-K-O",
            "density": 3.767626258645052,
            "density_atomic": 0.07171810022778537,
            "volume": 278.8696289566731,
            "volume_molar": 8.396960796330289,
            "formula_full": "K2 Gd2 C4 O12",
            "formula_reduced": "KGd(CO3)2",
            "formula_anonymous": "ABC2D6",
            "energy": -177.77618971000004,
            "energy_per_atom": -8.888809485500001,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -169.53218971,
            "band_gap": 2.4575,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 14.0053968,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:50.860000Z",
            "spacegroup": 15
        },
        {
            "id": "mp-1111798",
            "created_at": "2022-09-04T14:40:06.593231Z",
            "structure_string": "Rb2 Tl1 Ag1 I6\n1.0\n0.000000 6.038452 6.038452\n6.038452 0.000000 6.038452\n6.038452 6.038452 0.000000\nRb Tl Ag I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Ag\n0.744457 0.255543 0.255543 I\n0.255543 0.255543 0.744457 I\n0.255543 0.744457 0.744457 I\n0.255543 0.744457 0.255543 I\n0.744457 0.255543 0.744457 I\n0.744457 0.744457 0.255543 I\n",
            "nsites": 10,
            "nelements": 4,
            "elements": [
                "Rb",
                "Tl",
                "Ag",
                "I"
            ],
            "chemical_system": "Ag-I-Rb-Tl",
            "density": 4.693284706952153,
            "density_atomic": 0.022708745810739863,
            "volume": 440.35897373383807,
            "volume_molar": 26.519037247543157,
            "formula_full": "Rb2 Tl1 Ag1 I6",
            "formula_reduced": "Rb2TlAgI6",
            "formula_anonymous": "ABC2D6",
            "energy": -25.95722059,
            "energy_per_atom": -2.595722059,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -23.68322059,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0005423,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:49.719000Z",
            "spacegroup": 225
        },
        {
            "id": "mp-23967",
            "created_at": "2022-09-04T14:40:06.536952Z",
            "structure_string": "Co4 H8 Se4 O20\n1.0\n3.960340 4.993002 -3.168857\n-6.397437 5.074306 0.000000\n0.048099 0.060641 7.698325\nCo H Se O\n4 8 4 20\ndirect\n0.000000 0.500000 0.000000 Co\n0.000000 0.000000 0.500000 Co\n0.500000 0.000000 0.000000 Co\n0.500000 0.500000 0.500000 Co\n0.330923 0.700998 0.202268 H\n0.830923 0.200998 0.202268 H\n0.669077 0.200998 0.297732 H\n0.169077 0.700998 0.297732 H\n0.669077 0.299002 0.797732 H\n0.169077 0.799002 0.797732 H\n0.330923 0.799002 0.702268 H\n0.830923 0.299002 0.702268 H\n0.750000 0.835116 0.750000 Se\n0.250000 0.335116 0.750000 Se\n0.250000 0.164884 0.250000 Se\n0.750000 0.664884 0.250000 Se\n0.250000 0.871298 0.750000 O\n0.750000 0.371298 0.750000 O\n0.750000 0.128702 0.250000 O\n0.250000 0.628702 0.250000 O\n0.765334 0.952268 0.579213 O\n0.265334 0.452268 0.579213 O\n0.734666 0.952268 0.920787 O\n0.234666 0.452268 0.920787 O\n0.234666 0.047732 0.420787 O\n0.734666 0.547732 0.420787 O\n0.265334 0.047732 0.079213 O\n0.765334 0.547732 0.079213 O\n0.467407 0.218183 0.850068 O\n0.967407 0.718183 0.850068 O\n0.532593 0.718183 0.649932 O\n0.032593 0.218183 0.649932 O\n0.532593 0.781817 0.149932 O\n0.032593 0.281817 0.149932 O\n0.467407 0.281817 0.350068 O\n0.967407 0.781817 0.350068 O\n",
            "nsites": 36,
            "nelements": 4,
            "elements": [
                "Co",
                "H",
                "Se",
                "O"
            ],
            "chemical_system": "Co-H-O-Se",
            "density": 3.6279428174764408,
            "density_atomic": 0.08941628416250838,
            "volume": 402.6112283370253,
            "volume_molar": 6.734948579450187,
            "formula_full": "Co4 H8 Se4 O20",
            "formula_reduced": "CoH2SeO5",
            "formula_anonymous": "ABC2D5",
            "energy": -214.15848946,
            "energy_per_atom": -5.948846929444445,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -193.86648946,
            "band_gap": 1.6716,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 1e-07,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:45.973000Z",
            "spacegroup": 15
        },
        {
            "id": "mp-978917",
            "created_at": "2022-09-04T14:40:06.565262Z",
            "structure_string": "Sn3 B1\n1.0\n0.000000 3.588609 3.588609\n3.588609 0.000000 3.588609\n3.588609 3.588609 0.000000\nSn B\n3 1\ndirect\n0.250000 0.250000 0.250000 Sn\n0.750000 0.750000 0.750000 Sn\n0.500000 0.500000 0.500000 Sn\n0.000000 0.000000 0.000000 B\n",
            "nsites": 4,
            "nelements": 2,
            "elements": [
                "Sn",
                "B"
            ],
            "chemical_system": "B-Sn",
            "density": 6.592299289417802,
            "density_atomic": 0.04327644418763929,
            "volume": 92.4290355893539,
            "volume_molar": 13.91551656575347,
            "formula_full": "Sn3 B1",
            "formula_reduced": "Sn3B",
            "formula_anonymous": "AB3",
            "energy": -14.96132866,
            "energy_per_atom": -3.740332165,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -14.96132866,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0005097,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:46.679000Z",
            "spacegroup": 225
        },
        {
            "id": "mp-1078847",
            "created_at": "2022-09-04T14:40:06.627466Z",
            "structure_string": "Co2 Ag2 O4\n1.0\n1.718649 -2.976787 0.000000\n1.718649 2.976787 0.000000\n0.000000 0.000000 11.524456\nCo Ag O\n2 2 4\ndirect\n0.333333 0.666667 0.250000 Co\n0.666667 0.333333 0.750000 Co\n0.000000 0.000000 0.500000 Ag\n0.000000 0.000000 0.000000 Ag\n0.333333 0.666667 0.401897 O\n0.666667 0.333333 0.598103 O\n0.666667 0.333333 0.901897 O\n0.333333 0.666667 0.098103 O\n",
            "nsites": 8,
            "nelements": 3,
            "elements": [
                "Co",
                "Ag",
                "O"
            ],
            "chemical_system": "Ag-Co-O",
            "density": 5.599000667794014,
            "density_atomic": 0.06784293174046788,
            "volume": 117.91943235301034,
            "volume_molar": 8.876592749614078,
            "formula_full": "Co2 Ag2 O4",
            "formula_reduced": "CoAgO2",
            "formula_anonymous": "ABC2",
            "energy": -42.68820457,
            "energy_per_atom": -5.33602557125,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -36.66420457,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 3.1100723,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:45.481000Z",
            "spacegroup": 194
        },
        {
            "id": "mp-768100",
            "created_at": "2022-09-04T14:40:06.629206Z",
            "structure_string": "Li8 Ti6 Mn8 Cr4 O36\n1.0\n2.935871 0.000000 0.000000\n0.000000 9.100500 0.000000\n0.000000 0.000000 25.288685\nLi Ti Mn Cr O\n8 6 8 4 36\ndirect\n0.000000 0.933097 0.995222 Li\n0.000000 0.949511 0.208664 Li\n0.000000 0.050489 0.708664 Li\n0.000000 0.066903 0.495222 Li\n0.000000 0.432442 0.497156 Li\n0.000000 0.443946 0.304303 Li\n0.000000 0.556054 0.804303 Li\n0.000000 0.567558 0.997156 Li\n0.000000 0.754649 0.104865 Ti\n0.000000 0.245351 0.604865 Ti\n0.000000 0.247157 0.393517 Ti\n0.500000 0.396706 0.695321 Ti\n0.500000 0.603294 0.195321 Ti\n0.000000 0.752843 0.893517 Ti\n0.000000 0.773894 0.313123 Mn\n0.500000 0.891499 0.586641 Mn\n0.500000 0.108501 0.086641 Mn\n0.000000 0.226106 0.813123 Mn\n0.000000 0.262219 0.189305 Mn\n0.500000 0.390402 0.912916 Mn\n0.500000 0.609598 0.412916 Mn\n0.000000 0.737781 0.689305 Mn\n0.000000 0.750068 0.499691 Cr\n0.500000 0.897011 0.805495 Cr\n0.500000 0.102989 0.305495 Cr\n0.000000 0.249932 0.999691 Cr\n0.000000 0.748703 0.420718 O\n0.000000 0.753173 0.578882 O\n0.500000 0.786383 0.941905 O\n0.500000 0.801887 0.161463 O\n0.500000 0.861357 0.661732 O\n0.000000 0.863885 0.755701 O\n0.500000 0.901288 0.508533 O\n0.500000 0.890210 0.284351 O\n0.000000 0.932736 0.859156 O\n0.000000 0.968985 0.087198 O\n0.000000 0.031015 0.587198 O\n0.000000 0.067264 0.359156 O\n0.500000 0.109790 0.784351 O\n0.500000 0.098712 0.008533 O\n0.000000 0.136115 0.255701 O\n0.500000 0.138643 0.161732 O\n0.500000 0.198113 0.661463 O\n0.500000 0.213617 0.441905 O\n0.000000 0.246827 0.078882 O\n0.000000 0.251297 0.920718 O\n0.500000 0.285479 0.558952 O\n0.500000 0.307190 0.339544 O\n0.500000 0.356012 0.838105 O\n0.000000 0.364465 0.742886 O\n0.500000 0.401349 0.990523 O\n0.500000 0.391966 0.210229 O\n0.000000 0.428753 0.642186 O\n0.000000 0.471585 0.411701 O\n0.000000 0.528415 0.911701 O\n0.000000 0.571247 0.142186 O\n0.500000 0.608034 0.710229 O\n0.500000 0.598651 0.490523 O\n0.000000 0.635535 0.242886 O\n0.500000 0.643988 0.338105 O\n0.500000 0.692810 0.839544 O\n0.500000 0.714521 0.058952 O\n",
            "nsites": 62,
            "nelements": 5,
            "elements": [
                "Li",
                "Ti",
                "Mn",
                "Cr",
                "O"
            ],
            "chemical_system": "Cr-Li-Mn-O-Ti",
            "density": 3.849169710987317,
            "density_atomic": 0.09176207372484915,
            "volume": 675.6604061271385,
            "volume_molar": 6.562777534929668,
            "formula_full": "Li8 Ti6 Mn8 Cr4 O36",
            "formula_reduced": "Li4Ti3Mn4Cr2O18",
            "formula_anonymous": "A2B3C4D4E18",
            "energy": -508.43825751,
            "energy_per_atom": -8.200617056612904,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -462.36625751,
            "band_gap": 1.0001000000000002,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 40.0866528,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:46.925000Z",
            "spacegroup": 26
        },
        {
            "id": "mp-9646",
            "created_at": "2022-09-04T14:40:06.642496Z",
            "structure_string": "La2 P6 O18\n1.0\n4.372045 -5.707624 0.000000\n4.372045 5.707624 0.000000\n0.000000 0.000000 7.499462\nLa P O\n2 6 18\ndirect\n0.870519 0.870519 0.000000 La\n0.129481 0.129481 0.500000 La\n0.331400 0.681879 0.048397 P\n0.668600 0.318121 0.548397 P\n0.681879 0.331400 0.951603 P\n0.318121 0.668600 0.451603 P\n0.251515 0.251515 0.000000 P\n0.748485 0.748485 0.500000 P\n0.251823 0.469254 0.961643 O\n0.748177 0.530746 0.461643 O\n0.469254 0.251823 0.038357 O\n0.530746 0.748177 0.538357 O\n0.777135 0.521716 0.034162 O\n0.222865 0.478284 0.534162 O\n0.521716 0.777135 0.965838 O\n0.478284 0.222865 0.465838 O\n0.372946 0.627054 0.250000 O\n0.627054 0.372946 0.750000 O\n0.826816 0.861901 0.333752 O\n0.173184 0.138099 0.833752 O\n0.861901 0.826816 0.666248 O\n0.138099 0.173184 0.166248 O\n0.221501 0.828478 0.461369 O\n0.778499 0.171522 0.961369 O\n0.828478 0.221501 0.538631 O\n0.171522 0.778499 0.038631 O\n",
            "nsites": 26,
            "nelements": 3,
            "elements": [
                "La",
                "P",
                "O"
            ],
            "chemical_system": "La-O-P",
            "density": 3.33472837534655,
            "density_atomic": 0.06946615557295771,
            "volume": 374.28298407406714,
            "volume_molar": 8.669172362180271,
            "formula_full": "La2 P6 O18",
            "formula_reduced": "La(PO3)3",
            "formula_anonymous": "AB3C9",
            "energy": -209.73875125,
            "energy_per_atom": -8.066875048076923,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -197.37275125,
            "band_gap": 4.3796,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0037515,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:49.991000Z",
            "spacegroup": 20
        },
        {
            "id": "mp-1247069",
            "created_at": "2022-09-04T14:40:06.661586Z",
            "structure_string": "Cd6 Ga4 N8\n1.0\n6.743488 -0.822049 -0.210445\n-5.920273 7.565394 0.000000\n-0.270809 -0.211920 5.617309\nCd Ga N\n6 4 8\ndirect\n0.223119 0.959021 0.074473 Cd\n0.776881 0.735902 0.425527 Cd\n0.776881 0.040979 0.925527 Cd\n0.223119 0.264098 0.574473 Cd\n0.000000 0.623684 0.750000 Cd\n0.000000 0.376316 0.250000 Cd\n0.561104 0.166215 0.611320 Ga\n0.438896 0.605112 0.888680 Ga\n0.438896 0.833785 0.388680 Ga\n0.561104 0.394888 0.111320 Ga\n0.221554 0.893863 0.488307 N\n0.778446 0.672309 0.011693 N\n0.778446 0.106137 0.511693 N\n0.221554 0.327691 0.988307 N\n0.618749 0.240957 0.960168 N\n0.381251 0.622208 0.539832 N\n0.381251 0.759043 0.039832 N\n0.618749 0.377792 0.460168 N\n",
            "nsites": 18,
            "nelements": 3,
            "elements": [
                "Cd",
                "Ga",
                "N"
            ],
            "chemical_system": "Cd-Ga-N",
            "density": 6.842723807009011,
            "density_atomic": 0.06962015687771131,
            "volume": 258.54581212187196,
            "volume_molar": 8.649995963924598,
            "formula_full": "Cd6 Ga4 N8",
            "formula_reduced": "Cd3(GaN2)2",
            "formula_anonymous": "A2B3C4",
            "energy": -82.73971742,
            "energy_per_atom": -4.596650967777778,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -79.85171742,
            "band_gap": 0.1192999999999999,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0023506,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:48.015000Z",
            "spacegroup": 15
        },
        {
            "id": "mp-770431",
            "created_at": "2022-09-04T14:40:06.885610Z",
            "structure_string": "Ho8 Se12 O48\n1.0\n9.656287 0.000000 0.000000\n0.000000 9.746816 0.000000\n0.000000 0.000000 13.427682\nHo Se O\n8 12 48\ndirect\n0.249769 0.962264 0.117738 Ho\n0.750231 0.462264 0.117738 Ho\n0.250231 0.462264 0.382262 Ho\n0.749769 0.962264 0.382262 Ho\n0.250231 0.037736 0.617738 Ho\n0.749769 0.537736 0.617738 Ho\n0.249769 0.537736 0.882262 Ho\n0.750231 0.037736 0.882262 Ho\n0.034999 0.250000 0.000000 Se\n0.965001 0.750000 0.000000 Se\n0.393901 0.611565 0.146681 Se\n0.606099 0.111565 0.146681 Se\n0.106099 0.111565 0.353319 Se\n0.893901 0.611565 0.353319 Se\n0.465001 0.750000 0.500000 Se\n0.534999 0.250000 0.500000 Se\n0.106099 0.388435 0.646681 Se\n0.893901 0.888435 0.646681 Se\n0.393901 0.888435 0.853319 Se\n0.606099 0.388435 0.853319 Se\n0.667315 0.073878 0.034239 O\n0.332685 0.573878 0.034239 O\n0.864733 0.644788 0.064768 O\n0.135267 0.144788 0.064768 O\n0.062353 0.836652 0.080577 O\n0.937647 0.336652 0.080577 O\n0.435026 0.094236 0.148369 O\n0.564974 0.594236 0.148369 O\n0.356049 0.773165 0.176286 O\n0.643951 0.273165 0.176286 O\n0.322347 0.503546 0.227464 O\n0.677653 0.003546 0.227464 O\n0.177653 0.003546 0.272536 O\n0.822347 0.503546 0.272536 O\n0.856049 0.773165 0.323714 O\n0.143951 0.273165 0.323714 O\n0.064974 0.594236 0.351631 O\n0.935026 0.094236 0.351631 O\n0.437647 0.336652 0.419423 O\n0.562353 0.836652 0.419423 O\n0.364733 0.644788 0.435232 O\n0.635267 0.144788 0.435232 O\n0.167315 0.073878 0.465761 O\n0.832685 0.573878 0.465761 O\n0.167315 0.426122 0.534239 O\n0.832685 0.926122 0.534239 O\n0.635267 0.355212 0.564768 O\n0.364733 0.855212 0.564768 O\n0.437647 0.163348 0.580577 O\n0.562353 0.663348 0.580577 O\n0.064974 0.905764 0.648369 O\n0.935026 0.405764 0.648369 O\n0.143951 0.226835 0.676286 O\n0.856049 0.726835 0.676286 O\n0.177653 0.496454 0.727464 O\n0.822347 0.996454 0.727464 O\n0.322347 0.996454 0.772536 O\n0.677653 0.496454 0.772536 O\n0.356049 0.726835 0.823714 O\n0.643951 0.226835 0.823714 O\n0.435026 0.405764 0.851631 O\n0.564974 0.905764 0.851631 O\n0.062353 0.663348 0.919423 O\n0.937647 0.163348 0.919423 O\n0.135267 0.355212 0.935232 O\n0.864733 0.855212 0.935232 O\n0.332685 0.926122 0.965761 O\n0.667315 0.426122 0.965761 O\n",
            "nsites": 68,
            "nelements": 3,
            "elements": [
                "Ho",
                "Se",
                "O"
            ],
            "chemical_system": "Ho-O-Se",
            "density": 3.9877170374912074,
            "density_atomic": 0.05380652346429598,
            "volume": 1263.7872812043374,
            "volume_molar": 11.192213085456212,
            "formula_full": "Ho8 Se12 O48",
            "formula_reduced": "Ho2(SeO4)3",
            "formula_anonymous": "A2B3C12",
            "energy": -458.07872072,
            "energy_per_atom": -6.7364517752941175,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -425.10272072,
            "band_gap": 3.7327,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 5.5e-05,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:54.274000Z",
            "spacegroup": 60
        },
        {
            "id": "mp-974057",
            "created_at": "2022-09-04T14:40:06.936463Z",
            "structure_string": "Lu2 Ni12 P7\n1.0\n4.503785 -7.800785 0.000000\n4.503785 7.800785 0.000000\n0.000000 0.000000 3.647148\nLu Ni P\n2 12 7\ndirect\n0.333333 0.666667 0.000000 Lu\n0.666667 0.333333 0.500000 Lu\n0.153084 0.276010 0.000000 Ni\n0.723990 0.877073 0.000000 Ni\n0.122927 0.846916 0.000000 Ni\n0.381738 0.431776 0.500000 Ni\n0.568224 0.949962 0.500000 Ni\n0.050038 0.618262 0.500000 Ni\n0.436634 0.061084 0.000000 Ni\n0.938916 0.375550 0.000000 Ni\n0.624450 0.563366 0.000000 Ni\n0.216712 0.093735 0.500000 Ni\n0.906265 0.122977 0.500000 Ni\n0.877023 0.783288 0.500000 Ni\n0.113673 0.408232 0.500000 P\n0.591768 0.705441 0.500000 P\n0.294559 0.886327 0.500000 P\n0.407978 0.291610 0.000000 P\n0.708390 0.116368 0.000000 P\n0.883632 0.592022 0.000000 P\n0.000000 0.000000 0.000000 P\n",
            "nsites": 21,
            "nelements": 3,
            "elements": [
                "Lu",
                "Ni",
                "P"
            ],
            "chemical_system": "Lu-Ni-P",
            "density": 8.236062092337008,
            "density_atomic": 0.0819445271228361,
            "volume": 256.2709278744226,
            "volume_molar": 7.349045715978956,
            "formula_full": "Lu2 Ni12 P7",
            "formula_reduced": "Lu2Ni12P7",
            "formula_anonymous": "A2B7C12",
            "energy": -132.37230408,
            "energy_per_atom": -6.303443051428571,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -132.37230408,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0243647,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:46.030000Z",
            "spacegroup": 174
        }
    ]
}