GET /third-parties/MatprojStructure/?format=api&ordering=-created_at&page=12188
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=-created_at&page=12189",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-created_at&page=12187",
    "results": [
        {
            "id": "mp-18702",
            "created_at": "2022-09-04T14:39:05.355367Z",
            "structure_string": "Ag8 P8 O24\n1.0\n6.053561 0.000000 0.000000\n0.000000 7.502925 0.000000\n0.000000 6.920420 12.404228\nAg P O\n8 8 24\ndirect\n0.411267 0.265254 0.466499 Ag\n0.911267 0.734746 0.033501 Ag\n0.588733 0.734746 0.533501 Ag\n0.088733 0.265254 0.966499 Ag\n0.839605 0.500917 0.375660 Ag\n0.339605 0.499083 0.124340 Ag\n0.160395 0.499083 0.624340 Ag\n0.660395 0.500917 0.875660 Ag\n0.113810 0.932659 0.388722 P\n0.613810 0.067341 0.111278 P\n0.886190 0.067341 0.611278 P\n0.386190 0.932659 0.888722 P\n0.319952 0.741045 0.275247 P\n0.819952 0.258955 0.224753 P\n0.680048 0.258955 0.724753 P\n0.180048 0.741045 0.775247 P\n0.973209 0.745377 0.454431 O\n0.473209 0.254623 0.045569 O\n0.026791 0.254623 0.545569 O\n0.526791 0.745377 0.954431 O\n0.300404 0.978479 0.443303 O\n0.800404 0.021521 0.056697 O\n0.699596 0.021521 0.556697 O\n0.199596 0.978479 0.943303 O\n0.962678 0.135126 0.333317 O\n0.462678 0.864874 0.166683 O\n0.037322 0.864874 0.666683 O\n0.537322 0.135126 0.833317 O\n0.469516 0.630085 0.372383 O\n0.969516 0.369915 0.127617 O\n0.530484 0.369915 0.627617 O\n0.030484 0.630085 0.872383 O\n0.346965 0.618169 0.752411 O\n0.846965 0.381831 0.747589 O\n0.653035 0.381831 0.247589 O\n0.153035 0.618169 0.252411 O\n0.298730 0.928671 0.781469 O\n0.798730 0.071329 0.718531 O\n0.701270 0.071329 0.218531 O\n0.201270 0.928671 0.281469 O\n",
            "nsites": 40,
            "nelements": 3,
            "elements": [
                "Ag",
                "P",
                "O"
            ],
            "chemical_system": "Ag-O-P",
            "density": 4.405528864622029,
            "density_atomic": 0.07099842632914569,
            "volume": 563.3927689405635,
            "volume_molar": 8.482076394315575,
            "formula_full": "Ag8 P8 O24",
            "formula_reduced": "AgPO3",
            "formula_anonymous": "ABC3",
            "energy": -263.14028006,
            "energy_per_atom": -6.5785070015,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -246.65228006,
            "band_gap": 1.9166,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0007579,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:43.013000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-625391",
            "created_at": "2022-09-04T14:39:05.352887Z",
            "structure_string": "Na8 H24 O16\n1.0\n11.916127 0.000000 0.000000\n0.000000 6.111912 0.000000\n0.000000 0.026014 6.152660\nNa H O\n8 24 16\ndirect\n0.552655 0.793996 0.368492 Na\n0.446817 0.709594 0.863936 Na\n0.946817 0.290406 0.636064 Na\n0.052655 0.206004 0.131508 Na\n0.447345 0.206004 0.631508 Na\n0.553183 0.290406 0.136064 Na\n0.053183 0.709594 0.363936 Na\n0.947345 0.793996 0.868492 Na\n0.865949 0.059463 0.222506 H\n0.870153 0.887404 0.435129 H\n0.129330 0.606195 0.923884 H\n0.129169 0.441826 0.706611 H\n0.629330 0.393805 0.576116 H\n0.629169 0.558174 0.793389 H\n0.370153 0.112596 0.064871 H\n0.365949 0.940537 0.277494 H\n0.129847 0.112596 0.564871 H\n0.134051 0.940537 0.777494 H\n0.870670 0.393805 0.076116 H\n0.870831 0.558174 0.293389 H\n0.370831 0.441826 0.206611 H\n0.370670 0.606195 0.423884 H\n0.634051 0.059463 0.722506 H\n0.629847 0.887404 0.935129 H\n0.703811 0.122880 0.428900 H\n0.297543 0.376551 0.917587 H\n0.797543 0.623449 0.582413 H\n0.203811 0.877120 0.071100 H\n0.296189 0.877120 0.571100 H\n0.702457 0.623449 0.082413 H\n0.202457 0.376551 0.417587 H\n0.796189 0.122880 0.928900 H\n0.876192 0.045804 0.385781 O\n0.120302 0.450410 0.871082 O\n0.620302 0.549590 0.628918 O\n0.376192 0.954196 0.114219 O\n0.123808 0.954196 0.614219 O\n0.879698 0.549590 0.128918 O\n0.379698 0.450410 0.371082 O\n0.623808 0.045804 0.885781 O\n0.624480 0.141244 0.465086 O\n0.376956 0.361302 0.953831 O\n0.876956 0.638698 0.546169 O\n0.124480 0.858756 0.034914 O\n0.375520 0.858756 0.534914 O\n0.623044 0.638698 0.046169 O\n0.123044 0.361302 0.453831 O\n0.875520 0.141244 0.965086 O\n",
            "nsites": 48,
            "nelements": 3,
            "elements": [
                "Na",
                "H",
                "O"
            ],
            "chemical_system": "H-Na-O",
            "density": 1.719826770688544,
            "density_atomic": 0.10711890023518603,
            "volume": 448.10019421981644,
            "volume_molar": 5.621921758698069,
            "formula_full": "Na8 H24 O16",
            "formula_reduced": "NaH3O2",
            "formula_anonymous": "AB2C3",
            "energy": -240.27159573,
            "energy_per_atom": -5.005658244375,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -229.27959573000004,
            "band_gap": 4.4349,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:25.652000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-1516598",
            "created_at": "2022-09-04T14:39:05.352774Z",
            "structure_string": "Ba4 Na4 Nb4 Bi4 O24\n1.0\n8.445535 0.000000 0.000000\n0.000000 8.419577 0.000000\n0.000000 0.000000 8.460215\nBa Na Nb Bi O\n4 4 4 4 24\ndirect\n-0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Ba\n-0.000000 0.500000 0.500000 Ba\n0.500000 0.000000 0.000000 Ba\n0.500000 0.000000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n-0.000000 0.500000 0.000000 Na\n-0.000000 0.000000 0.500000 Na\n0.250000 0.250000 0.250000 Nb\n0.750000 0.750000 0.250000 Nb\n0.750000 0.250000 0.750000 Nb\n0.250000 0.750000 0.750000 Nb\n0.750000 0.750000 0.750000 Bi\n0.250000 0.250000 0.750000 Bi\n0.250000 0.750000 0.250000 Bi\n0.750000 0.250000 0.250000 Bi\n0.013948 0.231365 0.269358 O\n0.986052 0.768635 0.269358 O\n0.986052 0.231365 0.730642 O\n0.013948 0.768635 0.730642 O\n0.265125 0.013422 0.227903 O\n0.265125 0.986578 0.772097 O\n0.734875 0.986578 0.227903 O\n0.734875 0.013422 0.772097 O\n0.230091 0.260662 0.013785 O\n0.769909 0.260662 0.986215 O\n0.230091 0.739338 0.986215 O\n0.769909 0.739338 0.013785 O\n0.486052 0.268635 0.230642 O\n0.513948 0.731365 0.230642 O\n0.513948 0.268635 0.769358 O\n0.486052 0.731365 0.769358 O\n0.234875 0.486578 0.272097 O\n0.234875 0.513422 0.727903 O\n0.765125 0.513422 0.272097 O\n0.765125 0.486578 0.727903 O\n0.269909 0.239338 0.486215 O\n0.730091 0.239338 0.513785 O\n0.269909 0.760662 0.513785 O\n0.730091 0.760662 0.486215 O\n",
            "nsites": 40,
            "nelements": 5,
            "elements": [
                "Ba",
                "Na",
                "Nb",
                "Bi",
                "O"
            ],
            "chemical_system": "Ba-Bi-Na-Nb-O",
            "density": 6.163111749320928,
            "density_atomic": 0.06649073783456984,
            "volume": 601.587548923291,
            "volume_molar": 9.057112247698612,
            "formula_full": "Ba4 Na4 Nb4 Bi4 O24",
            "formula_reduced": "BaNaNbBiO6",
            "formula_anonymous": "ABCDE6",
            "energy": -286.51893717,
            "energy_per_atom": -7.16297342925,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -270.03093717,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0006042,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:29.272000Z",
            "spacegroup": 48
        },
        {
            "id": "mp-1217587",
            "created_at": "2022-09-04T14:39:05.347626Z",
            "structure_string": "Tb1 Be1 Cu4\n1.0\n2.535727 -4.392009 0.000000\n2.535727 4.392009 0.000000\n0.000000 0.000000 3.871512\nTb Be Cu\n1 1 4\ndirect\n0.333333 0.666667 0.000000 Tb\n0.666667 0.333333 0.000000 Be\n0.000000 0.000000 0.000000 Cu\n0.342362 0.171181 0.500000 Cu\n0.828819 0.171181 0.500000 Cu\n0.828819 0.657638 0.500000 Cu\n",
            "nsites": 6,
            "nelements": 3,
            "elements": [
                "Tb",
                "Be",
                "Cu"
            ],
            "chemical_system": "Be-Cu-Tb",
            "density": 8.128497591319627,
            "density_atomic": 0.06957847866310334,
            "volume": 86.23356122877878,
            "volume_molar": 8.655177399263073,
            "formula_full": "Tb1 Be1 Cu4",
            "formula_reduced": "TbBeCu4",
            "formula_anonymous": "ABC4",
            "energy": -25.68068372,
            "energy_per_atom": -4.280113953333333,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -25.68068372,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0001443,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:38.844000Z",
            "spacegroup": 187
        },
        {
            "id": "mp-1180162",
            "created_at": "2022-09-04T14:39:05.345632Z",
            "structure_string": "Ni2 Cl4 O12\n1.0\n7.696760 0.000000 0.000000\n0.000000 5.642839 0.000000\n0.000000 3.006421 7.424681\nNi Cl O\n2 4 12\ndirect\n0.000000 0.000000 0.000000 Ni\n0.500000 0.000000 0.500000 Ni\n0.990519 0.133943 0.222186 Cl\n0.490519 0.866057 0.277814 Cl\n0.009481 0.866057 0.777814 Cl\n0.509481 0.133943 0.722186 Cl\n0.813229 0.787704 0.057859 O\n0.313229 0.212296 0.442141 O\n0.186771 0.212296 0.942141 O\n0.686771 0.787704 0.557859 O\n0.194192 0.803511 0.065285 O\n0.694192 0.196489 0.434715 O\n0.805808 0.196489 0.934715 O\n0.305808 0.803511 0.565285 O\n0.494953 0.459603 0.081731 O\n0.994953 0.540397 0.418269 O\n0.505047 0.540397 0.918269 O\n0.005047 0.459603 0.581731 O\n",
            "nsites": 18,
            "nelements": 3,
            "elements": [
                "Ni",
                "Cl",
                "O"
            ],
            "chemical_system": "Cl-Ni-O",
            "density": 2.323414525742054,
            "density_atomic": 0.05581990617916799,
            "volume": 322.465608276454,
            "volume_molar": 10.788518240554597,
            "formula_full": "Ni2 Cl4 O12",
            "formula_reduced": "Ni(ClO3)2",
            "formula_anonymous": "AB2C6",
            "energy": -67.94669807,
            "energy_per_atom": -3.774816559444444,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -60.93269807,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 8.0000083,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:24.538000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-1221464",
            "created_at": "2022-09-04T14:39:05.342729Z",
            "structure_string": "Na2 Ca5 Ti1 Si4 O16 F2\n1.0\n-5.809622 0.000000 0.000000\n-0.005923 -7.440916 0.000000\n1.939382 1.875309 9.406853\nNa Ca Ti Si O F\n2 5 1 4 16 2\ndirect\n0.998457 0.499684 0.000865 Na\n0.778504 0.593326 0.366081 Na\n0.509030 0.763871 0.012528 Ca\n0.497338 0.235523 0.990636 Ca\n0.792899 0.088560 0.360701 Ca\n0.208325 0.909164 0.638770 Ca\n0.210567 0.410045 0.634895 Ca\n0.001829 0.999927 0.996769 Ti\n0.250864 0.352556 0.283059 Si\n0.749198 0.646965 0.716213 Si\n0.249967 0.786225 0.278339 Si\n0.746814 0.214474 0.721130 Si\n0.751427 0.031754 0.105632 O\n0.248437 0.967782 0.896000 O\n0.527901 0.845053 0.320753 O\n0.466823 0.163605 0.674068 O\n0.522809 0.326336 0.355906 O\n0.473622 0.664431 0.645887 O\n0.216977 0.559716 0.245008 O\n0.785605 0.441002 0.757908 O\n0.164450 0.828331 0.116234 O\n0.832326 0.168581 0.882278 O\n0.090086 0.870694 0.389450 O\n0.919609 0.139690 0.613881 O\n0.192703 0.221645 0.123101 O\n0.806312 0.780957 0.876053 O\n0.075184 0.327698 0.387763 O\n0.941606 0.665926 0.620554 O\n0.683669 0.518543 0.104912 F\n0.306661 0.477936 0.884623 F\n",
            "nsites": 30,
            "nelements": 6,
            "elements": [
                "Na",
                "Ca",
                "Ti",
                "Si",
                "O",
                "F"
            ],
            "chemical_system": "Ca-F-Na-O-Si-Ti",
            "density": 2.860746400602591,
            "density_atomic": 0.07377387903841645,
            "volume": 406.64799507665884,
            "volume_molar": 8.162971553744754,
            "formula_full": "Na2 Ca5 Ti1 Si4 O16 F2",
            "formula_reduced": "Na2Ca5TiSi4(O8F)2",
            "formula_anonymous": "AB2C2D4E5F16",
            "energy": -222.22477457,
            "energy_per_atom": -7.407492485666666,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -210.30877457,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 2.0009355,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:38.639000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-1210462",
            "created_at": "2022-09-04T14:39:05.342250Z",
            "structure_string": "Na8 H8 N8\n1.0\n-5.613905 -5.555162 0.000000\n-5.613905 5.555162 0.000000\n5.613905 0.000000 -6.364209\nNa H N\n8 8 8\ndirect\n0.575991 0.753612 0.518930 Na\n0.942939 0.765319 0.518930 Na\n0.246388 0.424009 0.481070 Na\n0.674009 0.996388 0.981070 Na\n0.234681 0.057061 0.481070 Na\n0.307061 0.984681 0.981070 Na\n0.003612 0.325991 0.018930 Na\n0.015319 0.692939 0.018930 Na\n0.459516 0.627231 0.902058 H\n0.442543 0.274827 0.902058 H\n0.372769 0.540484 0.097942 H\n0.790484 0.122769 0.597942 H\n0.725173 0.557457 0.097942 H\n0.807457 0.475173 0.597942 H\n0.877231 0.209516 0.402058 H\n0.524827 0.192543 0.402058 H\n0.423743 0.705248 0.825168 N\n0.401425 0.119920 0.825168 N\n0.294752 0.576257 0.174832 N\n0.826257 0.044752 0.674832 N\n0.880080 0.598575 0.174832 N\n0.848575 0.630080 0.674832 N\n0.955248 0.173743 0.325168 N\n0.369920 0.151425 0.325168 N\n",
            "nsites": 24,
            "nelements": 3,
            "elements": [
                "Na",
                "H",
                "N"
            ],
            "chemical_system": "H-N-Na",
            "density": 1.2718528115747523,
            "density_atomic": 0.060460958123476426,
            "volume": 396.9503750004422,
            "volume_molar": 9.960379304114367,
            "formula_full": "Na8 H8 N8",
            "formula_reduced": "NaHN",
            "formula_anonymous": "ABC",
            "energy": -97.13516312,
            "energy_per_atom": -4.047298463333333,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -94.24716312,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 8.0009079,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:28.898000Z",
            "spacegroup": 70
        },
        {
            "id": "mp-20614",
            "created_at": "2022-09-04T14:39:05.337502Z",
            "structure_string": "Eu4 Mn4 O12\n1.0\n5.479369 0.000000 0.000000\n0.000000 5.526820 0.000000\n0.000000 0.000000 7.790945\nEu Mn O\n4 4 12\ndirect\n0.006336 0.962415 0.750000 Eu\n0.506336 0.537585 0.250000 Eu\n0.493664 0.462415 0.750000 Eu\n0.993664 0.037585 0.250000 Eu\n0.500000 0.000000 0.500000 Mn\n0.000000 0.500000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.500000 0.000000 0.000000 Mn\n0.709633 0.290607 0.462284 O\n0.209633 0.209393 0.537716 O\n0.790367 0.790607 0.037716 O\n0.290367 0.709393 0.962284 O\n0.290367 0.709393 0.537716 O\n0.790367 0.790607 0.462284 O\n0.209633 0.209393 0.962284 O\n0.709633 0.290607 0.037716 O\n0.071818 0.483764 0.250000 O\n0.571818 0.016236 0.750000 O\n0.428182 0.983764 0.250000 O\n0.928182 0.516236 0.750000 O\n",
            "nsites": 20,
            "nelements": 3,
            "elements": [
                "Eu",
                "Mn",
                "O"
            ],
            "chemical_system": "Eu-Mn-O",
            "density": 7.176014942663046,
            "density_atomic": 0.08476840046880764,
            "volume": 235.93697520999504,
            "volume_molar": 7.1042283760161045,
            "formula_full": "Eu4 Mn4 O12",
            "formula_reduced": "EuMnO3",
            "formula_anonymous": "ABC3",
            "energy": -190.23147145,
            "energy_per_atom": -9.5115735725,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -175.31547144999996,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 39.9849188,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:24.198000Z",
            "spacegroup": 62
        },
        {
            "id": "mp-558884",
            "created_at": "2022-09-04T14:39:05.334965Z",
            "structure_string": "Cr4 P12 H68 N12 O52\n1.0\n10.840724 0.000000 0.000000\n0.000000 9.598699 0.000000\n0.000000 9.023309 13.072530\nCr P H N O\n4 12 68 12 52\ndirect\n0.000000 0.000000 0.000000 Cr\n0.000000 0.500000 0.500000 Cr\n0.500000 0.500000 0.000000 Cr\n0.500000 0.000000 0.500000 Cr\n0.367714 0.357948 0.743333 P\n0.084764 0.851390 0.639714 P\n0.132286 0.357948 0.243333 P\n0.867714 0.642052 0.756667 P\n0.632286 0.642052 0.256667 P\n0.400524 0.607088 0.367811 P\n0.584764 0.148610 0.860286 P\n0.599476 0.392912 0.632189 P\n0.415236 0.851390 0.139714 P\n0.900524 0.392912 0.132189 P\n0.099476 0.607088 0.867811 P\n0.915236 0.148610 0.360286 P\n0.562861 0.986401 0.339966 H\n0.781002 0.319521 0.551170 H\n0.437139 0.013599 0.660034 H\n0.398790 0.371981 0.179721 H\n0.212106 0.614366 0.741502 H\n0.886771 0.298481 0.862851 H\n0.967736 0.447414 0.684316 H\n0.250509 0.986304 0.212370 H\n0.652139 0.101770 0.197327 H\n0.661768 0.788636 0.643773 H\n0.134665 0.273696 0.930449 H\n0.712106 0.385634 0.758498 H\n0.787894 0.385634 0.258498 H\n0.376567 0.736656 0.004267 H\n0.218998 0.680479 0.448830 H\n0.560328 0.132009 0.602832 H\n0.601825 0.643960 0.401763 H\n0.212649 0.371621 0.485924 H\n0.439672 0.867991 0.397168 H\n0.532264 0.447414 0.184316 H\n0.347861 0.898230 0.802673 H\n0.060328 0.867991 0.897168 H\n0.281002 0.680479 0.948830 H\n0.101825 0.356040 0.098237 H\n0.717033 0.155638 0.440565 H\n0.787351 0.628379 0.514076 H\n0.898175 0.643960 0.901763 H\n0.617985 0.791568 0.938699 H\n0.161768 0.211364 0.856227 H\n0.865335 0.726304 0.069551 H\n0.718998 0.319521 0.051170 H\n0.287894 0.614366 0.241502 H\n0.623433 0.263344 0.995733 H\n0.622068 0.903445 0.097587 H\n0.217033 0.844362 0.059435 H\n0.398175 0.356040 0.598237 H\n0.847861 0.101770 0.697327 H\n0.882015 0.791568 0.438699 H\n0.750509 0.013696 0.287630 H\n0.601210 0.628019 0.820279 H\n0.937139 0.986401 0.839966 H\n0.101210 0.371981 0.679721 H\n0.152139 0.898230 0.302673 H\n0.123433 0.736656 0.504267 H\n0.749491 0.013696 0.787630 H\n0.386771 0.701519 0.637149 H\n0.282967 0.844362 0.559435 H\n0.613229 0.298481 0.362851 H\n0.113229 0.701519 0.137149 H\n0.939672 0.132009 0.102832 H\n0.338232 0.211364 0.356227 H\n0.249491 0.986304 0.712370 H\n0.287351 0.371621 0.985924 H\n0.377932 0.096555 0.902413 H\n0.382015 0.208432 0.061301 H\n0.838232 0.788636 0.143773 H\n0.876567 0.263344 0.495733 H\n0.782967 0.155638 0.940565 H\n0.365335 0.273696 0.430449 H\n0.467736 0.552586 0.815684 H\n0.634665 0.726304 0.569551 H\n0.877932 0.903445 0.597587 H\n0.032264 0.552586 0.315684 H\n0.117985 0.208432 0.561301 H\n0.122068 0.096555 0.402413 H\n0.898790 0.628019 0.320279 H\n0.712649 0.628379 0.014076 H\n0.062861 0.013599 0.160034 H\n0.639794 0.323393 0.751867 N\n0.139794 0.676607 0.748133 N\n0.445906 0.380328 0.644097 N\n0.360206 0.676607 0.248133 N\n0.945906 0.619672 0.855903 N\n0.066145 0.192629 0.348889 N\n0.566145 0.807371 0.151111 N\n0.933855 0.807371 0.651111 N\n0.554094 0.619672 0.355903 N\n0.860206 0.323393 0.251867 N\n0.433855 0.192629 0.848889 N\n0.054094 0.380328 0.144097 N\n0.234578 0.314265 0.740422 O\n0.508837 0.037944 0.611341 O\n0.128378 0.681682 0.465767 O\n0.871622 0.318318 0.534233 O\n0.351002 0.426443 0.438197 O\n0.888082 0.482015 0.758793 O\n0.127201 0.336617 0.515674 O\n0.984485 0.598096 0.349666 O\n0.374145 0.820426 0.574531 O\n0.111918 0.517985 0.241207 O\n0.165502 0.994224 0.232136 O\n0.856637 0.282346 0.097655 O\n0.635914 0.829213 0.572780 O\n0.734578 0.685735 0.759578 O\n0.484485 0.401904 0.150334 O\n0.364086 0.170787 0.427220 O\n0.334498 0.994224 0.732136 O\n0.148998 0.426443 0.938197 O\n0.110619 0.007928 0.638012 O\n0.361501 0.853605 0.049708 O\n0.861501 0.146395 0.450292 O\n0.491163 0.962056 0.388659 O\n0.125855 0.820426 0.074531 O\n0.874145 0.179574 0.925469 O\n0.389381 0.007928 0.138012 O\n0.356637 0.717654 0.402345 O\n0.625855 0.179574 0.425469 O\n0.851002 0.573557 0.061803 O\n0.864086 0.829213 0.072780 O\n0.015515 0.401904 0.650334 O\n0.008837 0.962056 0.888659 O\n0.628378 0.318318 0.034233 O\n0.665502 0.005776 0.267864 O\n0.138499 0.853605 0.549708 O\n0.143363 0.717654 0.902345 O\n0.611918 0.482015 0.258793 O\n0.372799 0.336617 0.015674 O\n0.834498 0.005776 0.767864 O\n0.135914 0.170787 0.927220 O\n0.889381 0.992072 0.361988 O\n0.991163 0.037944 0.111341 O\n0.872799 0.663383 0.484326 O\n0.388082 0.517985 0.741207 O\n0.610619 0.992072 0.861988 O\n0.627201 0.663383 0.984326 O\n0.515515 0.598096 0.849666 O\n0.765422 0.685735 0.259578 O\n0.638499 0.146395 0.950292 O\n0.371622 0.681682 0.965767 O\n0.265422 0.314265 0.240422 O\n0.643363 0.282346 0.597655 O\n0.648998 0.573557 0.561803 O\n",
            "nsites": 148,
            "nelements": 5,
            "elements": [
                "Cr",
                "P",
                "H",
                "N",
                "O"
            ],
            "chemical_system": "Cr-H-N-O-P",
            "density": 2.012074962313375,
            "density_atomic": 0.10880062934968512,
            "volume": 1360.286249120197,
            "volume_molar": 5.535023828442062,
            "formula_full": "Cr4 P12 H68 N12 O52",
            "formula_reduced": "CrP3H17N3O13",
            "formula_anonymous": "AB3C3D13E17",
            "energy": -890.64434769,
            "energy_per_atom": -6.017867214121622,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -842.59234769,
            "band_gap": 2.7258,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0030376,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:42.503000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-29776",
            "created_at": "2022-09-04T14:39:05.332300Z",
            "structure_string": "Ce8 Ge18 Rh26\n1.0\n3.981853 0.000000 0.000000\n0.000000 11.382743 0.000000\n0.000000 0.000000 19.675991\nCe Ge Rh\n8 18 26\ndirect\n0.250000 0.560252 0.708017 Ce\n0.750000 0.439748 0.291983 Ce\n0.750000 0.060252 0.291983 Ce\n0.250000 0.939748 0.708017 Ce\n0.250000 0.750000 0.521283 Ce\n0.750000 0.250000 0.478717 Ce\n0.250000 0.250000 0.020205 Ce\n0.750000 0.750000 0.979795 Ce\n0.250000 0.250000 0.601872 Ge\n0.750000 0.750000 0.398128 Ge\n0.250000 0.061290 0.419157 Ge\n0.750000 0.938710 0.580843 Ge\n0.750000 0.561290 0.580843 Ge\n0.250000 0.438710 0.419157 Ge\n0.250000 0.566589 0.915206 Ge\n0.750000 0.433411 0.084794 Ge\n0.750000 0.066589 0.084794 Ge\n0.250000 0.933411 0.915206 Ge\n0.250000 0.623766 0.229795 Ge\n0.750000 0.376234 0.770205 Ge\n0.750000 0.123766 0.770205 Ge\n0.250000 0.876234 0.229795 Ge\n0.250000 0.750000 0.102672 Ge\n0.750000 0.250000 0.897328 Ge\n0.250000 0.250000 0.230838 Ge\n0.750000 0.750000 0.769162 Ge\n0.250000 0.449535 0.546185 Rh\n0.750000 0.550465 0.453815 Rh\n0.750000 0.949535 0.453815 Rh\n0.250000 0.050465 0.546185 Rh\n0.250000 0.435202 0.164754 Rh\n0.750000 0.564798 0.835246 Rh\n0.750000 0.935202 0.835246 Rh\n0.250000 0.064798 0.164754 Rh\n0.250000 0.376726 0.854556 Rh\n0.750000 0.623274 0.145444 Rh\n0.750000 0.876726 0.145444 Rh\n0.250000 0.123274 0.854556 Rh\n0.250000 0.558655 0.040688 Rh\n0.750000 0.441345 0.959312 Rh\n0.750000 0.058655 0.959312 Rh\n0.250000 0.941345 0.040688 Rh\n0.250000 0.626802 0.356865 Rh\n0.750000 0.373198 0.643135 Rh\n0.750000 0.126802 0.643135 Rh\n0.250000 0.873198 0.356865 Rh\n0.250000 0.750000 0.844024 Rh\n0.750000 0.250000 0.155976 Rh\n0.250000 0.250000 0.357011 Rh\n0.750000 0.750000 0.642989 Rh\n0.250000 0.250000 0.727410 Rh\n0.750000 0.750000 0.272590 Rh\n",
            "nsites": 52,
            "nelements": 3,
            "elements": [
                "Ce",
                "Ge",
                "Rh"
            ],
            "chemical_system": "Ce-Ge-Rh",
            "density": 9.50364551431525,
            "density_atomic": 0.05830886328143249,
            "volume": 891.8026707023554,
            "volume_molar": 10.3280023329106,
            "formula_full": "Ce8 Ge18 Rh26",
            "formula_reduced": "Ce4Ge9Rh13",
            "formula_anonymous": "A4B9C13",
            "energy": -365.21425252,
            "energy_per_atom": -7.02335101,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -365.21425252,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 3.5570637,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:28.703000Z",
            "spacegroup": 59
        },
        {
            "id": "mp-973676",
            "created_at": "2022-09-04T14:39:05.329297Z",
            "structure_string": "Hg2 S2\n1.0\n2.122706 -3.676635 0.000000\n2.122706 3.676635 0.000000\n0.000000 0.000000 6.944057\nHg S\n2 2\ndirect\n0.666667 0.333333 0.499884 Hg\n0.333333 0.666667 0.999884 Hg\n0.666667 0.333333 0.875116 S\n0.333333 0.666667 0.375116 S\n",
            "nsites": 4,
            "nelements": 2,
            "elements": [
                "Hg",
                "S"
            ],
            "chemical_system": "Hg-S",
            "density": 7.128659089490286,
            "density_atomic": 0.03690424747527417,
            "volume": 108.38860764414714,
            "volume_molar": 16.318286300336652,
            "formula_full": "Hg2 S2",
            "formula_reduced": "HgS",
            "formula_anonymous": "AB",
            "energy": -10.38736778,
            "energy_per_atom": -2.596841945,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -9.38136778,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 4e-07,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:24.402000Z",
            "spacegroup": 186
        },
        {
            "id": "mp-984718",
            "created_at": "2022-09-04T14:39:05.324094Z",
            "structure_string": "B2 As2\n1.0\n1.695467 -2.936635 0.000000\n1.695467 2.936635 0.000000\n0.000000 0.000000 5.609546\nB As\n2 2\ndirect\n0.666667 0.333333 0.874676 B\n0.333333 0.666667 0.374676 B\n0.666667 0.333333 0.500323 As\n0.333333 0.666667 0.000323 As\n",
            "nsites": 4,
            "nelements": 2,
            "elements": [
                "B",
                "As"
            ],
            "chemical_system": "As-B",
            "density": 5.097157656422205,
            "density_atomic": 0.07160823512524768,
            "volume": 55.85949706767284,
            "volume_molar": 8.409843853108327,
            "formula_full": "B2 As2",
            "formula_reduced": "BAs",
            "formula_anonymous": "AB",
            "energy": -22.71635033,
            "energy_per_atom": -5.6790875825,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -22.71635033,
            "band_gap": 1.1428000000000005,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 9.05e-05,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:29.221000Z",
            "spacegroup": 186
        }
    ]
}