GET /third-parties/MatprojStructure/?format=api&ordering=-formation_energy&page=10172
HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept

{
    "count": 146323,
    "next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formation_energy&page=10173",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formation_energy&page=10171",
    "results": [
        {
            "id": "mp-1201650",
            "created_at": "2022-09-04T14:39:27.664500Z",
            "structure_string": "Ca4 H16 Ir4 O8 F24\n1.0\n9.672001 0.000000 0.000000\n0.000000 5.960978 0.000000\n0.000000 4.208425 10.991810\nCa H Ir O F\n4 16 4 8 24\ndirect\n0.680261 0.212670 0.952992 Ca\n0.819739 0.212670 0.452992 Ca\n0.319739 0.787330 0.047008 Ca\n0.180261 0.787330 0.547008 Ca\n0.860506 0.488214 0.075854 H\n0.639494 0.488214 0.575854 H\n0.139494 0.511786 0.924146 H\n0.360506 0.511786 0.424146 H\n0.842107 0.657476 0.939499 H\n0.657893 0.657476 0.439499 H\n0.157893 0.342524 0.060501 H\n0.342107 0.342524 0.560501 H\n0.641957 0.683647 0.063890 H\n0.858043 0.683647 0.563890 H\n0.358043 0.316353 0.936110 H\n0.141957 0.316353 0.436110 H\n0.592181 0.770355 0.169399 H\n0.907819 0.770355 0.669399 H\n0.407819 0.229645 0.830601 H\n0.092181 0.229645 0.330601 H\n0.038832 0.136852 0.766450 Ir\n0.461168 0.136852 0.266450 Ir\n0.961168 0.863148 0.233550 Ir\n0.538832 0.863148 0.733550 Ir\n0.793288 0.537842 0.009158 O\n0.706712 0.537842 0.509158 O\n0.206712 0.462158 0.990842 O\n0.293288 0.462158 0.490842 O\n0.579465 0.798778 0.082046 O\n0.920535 0.798778 0.582046 O\n0.420535 0.201222 0.917954 O\n0.079465 0.201222 0.417954 O\n0.144070 0.446594 0.716114 F\n0.355930 0.446594 0.216114 F\n0.855930 0.553406 0.283886 F\n0.644070 0.553406 0.783886 F\n0.906806 0.275692 0.847438 F\n0.593194 0.275692 0.347438 F\n0.093194 0.724308 0.152562 F\n0.406806 0.724308 0.652562 F\n0.941227 0.821573 0.815362 F\n0.558773 0.821573 0.315362 F\n0.058773 0.178427 0.184638 F\n0.441227 0.178427 0.684638 F\n0.168652 0.003441 0.679518 F\n0.331348 0.003441 0.179518 F\n0.831348 0.996559 0.320482 F\n0.668652 0.996559 0.820482 F\n0.929363 0.263008 0.617587 F\n0.570637 0.263008 0.117587 F\n0.070637 0.736992 0.382413 F\n0.429363 0.736992 0.882413 F\n0.150098 0.015793 0.913762 F\n0.349902 0.015793 0.413762 F\n0.849902 0.984207 0.086238 F\n0.650098 0.984207 0.586238 F\n",
            "nsites": 56,
            "nelements": 5,
            "elements": [
                "Ca",
                "H",
                "Ir",
                "O",
                "F"
            ],
            "chemical_system": "Ca-F-H-Ir-O",
            "density": 4.007084256446805,
            "density_atomic": 0.0883659523822973,
            "volume": 633.7282458941585,
            "volume_molar": 6.815001250647347,
            "formula_full": "Ca4 H16 Ir4 O8 F24",
            "formula_reduced": "CaH4Ir(OF3)2",
            "formula_anonymous": "ABC2D4E6",
            "energy": -300.75468985,
            "energy_per_atom": -5.370619461607142,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -284.17068985,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 4.0002491,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:38.610000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-2392",
            "created_at": "2022-09-04T14:39:27.675028Z",
            "structure_string": "Th8 Se20\n1.0\n8.008644 0.000000 0.000000\n0.000000 8.025052 0.000000\n0.000000 0.000000 10.785348\nTh Se\n8 20\ndirect\n0.242423 0.008248 0.852563 Th\n0.257577 0.508248 0.647437 Th\n0.742423 0.991752 0.647437 Th\n0.757577 0.491752 0.852563 Th\n0.757577 0.991752 0.147437 Th\n0.742423 0.491752 0.352563 Th\n0.257577 0.008248 0.352563 Th\n0.242423 0.508248 0.147437 Th\n0.370437 0.379100 0.393392 Se\n0.129563 0.879100 0.106608 Se\n0.870437 0.620900 0.106608 Se\n0.629563 0.120900 0.393392 Se\n0.629563 0.620900 0.606608 Se\n0.870437 0.120900 0.893392 Se\n0.129563 0.379100 0.893392 Se\n0.370437 0.879100 0.606608 Se\n0.886056 0.864787 0.396691 Se\n0.613944 0.364787 0.103309 Se\n0.386056 0.135213 0.103309 Se\n0.113944 0.635213 0.396691 Se\n0.113944 0.135213 0.603309 Se\n0.386056 0.635213 0.896691 Se\n0.613944 0.864787 0.896691 Se\n0.886056 0.364787 0.603309 Se\n0.000000 0.250000 0.247977 Se\n0.500000 0.750000 0.252023 Se\n0.000000 0.750000 0.752023 Se\n0.500000 0.250000 0.747977 Se\n",
            "nsites": 28,
            "nelements": 2,
            "elements": [
                "Th",
                "Se"
            ],
            "chemical_system": "Se-Th",
            "density": 8.229976782517667,
            "density_atomic": 0.04039401521267891,
            "volume": 693.1719922512515,
            "volume_molar": 14.90849752938095,
            "formula_full": "Th8 Se20",
            "formula_reduced": "Th2Se5",
            "formula_anonymous": "A2B5",
            "energy": -181.90028411,
            "energy_per_atom": -6.496438718214286,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -172.46028411,
            "band_gap": 0.5162000000000004,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.000678,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:34.943000Z",
            "spacegroup": 60
        },
        {
            "id": "mp-1182651",
            "created_at": "2022-09-04T14:39:27.710738Z",
            "structure_string": "Ca8 Mg2 As8 O54\n1.0\n12.469387 0.167157 -1.292647\n-0.499041 13.122726 -2.713718\n0.105857 -0.200150 6.688908\nCa Mg As O\n8 2 8 54\ndirect\n0.359620 0.653418 0.907888 Ca\n0.640380 0.346582 0.092112 Ca\n0.518820 0.618545 0.431482 Ca\n0.481180 0.381455 0.568518 Ca\n0.413751 0.910179 0.264338 Ca\n0.586249 0.089821 0.735662 Ca\n0.282337 0.982459 0.749697 Ca\n0.717663 0.017541 0.250303 Ca\n0.061963 0.855326 0.760422 Mg\n0.938037 0.144674 0.239578 Mg\n0.521523 0.865758 0.796988 As\n0.478477 0.134242 0.203012 As\n0.611946 0.604597 0.940556 As\n0.388054 0.395403 0.059444 As\n0.248920 0.708537 0.427020 As\n0.751080 0.291463 0.572980 As\n0.145154 0.990547 0.230617 As\n0.854846 0.009453 0.769383 As\n0.586412 0.763719 0.653309 O\n0.413588 0.236281 0.346691 O\n0.608885 0.952756 0.953186 O\n0.391115 0.047244 0.046814 O\n0.422855 0.822196 0.920882 O\n0.577145 0.177804 0.079118 O\n0.458144 0.931485 0.626088 O\n0.541856 0.068515 0.373912 O\n0.697479 0.689753 0.870587 O\n0.302521 0.310247 0.129413 O\n0.679798 0.507935 0.021440 O\n0.320202 0.492065 0.978560 O\n0.518745 0.554502 0.734270 O\n0.481255 0.445498 0.265730 O\n0.527469 0.664408 0.122607 O\n0.472531 0.335592 0.877393 O\n0.315140 0.750133 0.246661 O\n0.684860 0.249867 0.753339 O\n0.338238 0.639741 0.547951 O\n0.661762 0.360259 0.452049 O\n0.139107 0.627658 0.295233 O\n0.860893 0.372342 0.704767 O\n0.194434 0.803389 0.604560 O\n0.805566 0.196611 0.395440 O\n0.049364 0.906464 0.287678 O\n0.950636 0.093536 0.712322 O\n0.174819 0.932418 0.983592 O\n0.825181 0.067582 0.016408 O\n0.094069 0.109530 0.242703 O\n0.905931 0.890470 0.757297 O\n0.259712 0.991121 0.392750 O\n0.740288 0.008879 0.607250 O\n0.142158 0.628729 0.832202 O\n0.857842 0.371271 0.167798 O\n0.701400 0.551961 0.371854 O\n0.298600 0.448039 0.628146 O\n0.591701 0.829193 0.269144 O\n0.408299 0.170807 0.730856 O\n0.176189 0.121632 0.673498 O\n0.823811 0.878368 0.326502 O\n0.983300 0.792275 0.968225 O\n0.016700 0.207725 0.031775 O\n0.948038 0.693236 0.516717 O\n0.051962 0.306764 0.483283 O\n0.082080 0.995150 0.662216 O\n0.917920 0.004850 0.337784 O\n0.141351 0.301050 0.569130 O\n0.858649 0.698950 0.430870 O\n0.105409 0.442975 0.154787 O\n0.894591 0.557025 0.845213 O\n0.162436 0.498352 0.293866 O\n0.837564 0.501648 0.706134 O\n0.094196 0.545897 0.762760 O\n0.905804 0.454103 0.237240 O\n",
            "nsites": 72,
            "nelements": 4,
            "elements": [
                "Ca",
                "Mg",
                "As",
                "O"
            ],
            "chemical_system": "As-Ca-Mg-O",
            "density": 2.7919903275918925,
            "density_atomic": 0.0660595624743623,
            "volume": 1089.9254748764522,
            "volume_molar": 9.116228649466443,
            "formula_full": "Ca8 Mg2 As8 O54",
            "formula_reduced": "Ca4MgAs4O27",
            "formula_anonymous": "AB4C4D27",
            "energy": -402.05779358,
            "energy_per_atom": -5.5841360219444445,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -393.36379358,
            "band_gap": 0.3161,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 20.002183,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:31.326000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-764409",
            "created_at": "2022-09-04T14:39:27.886668Z",
            "structure_string": "Li8 Cr4 O12\n1.0\n4.939877 0.000000 0.000000\n0.000000 4.999097 0.000000\n0.000000 0.000000 8.374575\nLi Cr O\n8 4 12\ndirect\n0.000000 0.750000 0.072628 Li\n0.500000 0.750000 0.427372 Li\n0.500000 0.750000 0.736776 Li\n0.000000 0.750000 0.763224 Li\n0.500000 0.250000 0.263224 Li\n0.000000 0.250000 0.236776 Li\n0.000000 0.250000 0.927372 Li\n0.500000 0.250000 0.572628 Li\n0.500000 0.750000 0.087123 Cr\n0.000000 0.750000 0.412877 Cr\n0.500000 0.250000 0.912877 Cr\n0.000000 0.250000 0.587123 Cr\n0.750000 0.893267 0.250000 O\n0.781076 0.917033 0.572186 O\n0.718924 0.917033 0.927814 O\n0.218924 0.082967 0.427814 O\n0.281076 0.082967 0.072186 O\n0.250000 0.106733 0.750000 O\n0.750000 0.393267 0.750000 O\n0.718924 0.417033 0.072186 O\n0.781076 0.417033 0.427814 O\n0.281076 0.582967 0.927814 O\n0.218924 0.582967 0.572186 O\n0.250000 0.606733 0.250000 O\n",
            "nsites": 24,
            "nelements": 3,
            "elements": [
                "Li",
                "Cr",
                "O"
            ],
            "chemical_system": "Cr-Li-O",
            "density": 3.657395795409382,
            "density_atomic": 0.11604883001607334,
            "volume": 206.80949559487917,
            "volume_molar": 5.189316220737342,
            "formula_full": "Li8 Cr4 O12",
            "formula_reduced": "Li2CrO3",
            "formula_anonymous": "AB2C3",
            "energy": -164.9628835,
            "energy_per_atom": -6.873453479166667,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -148.7228835,
            "band_gap": 0.2326000000000001,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 8.0004067,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:37.310000Z",
            "spacegroup": 52
        },
        {
            "id": "mp-24656",
            "created_at": "2022-09-04T14:39:28.012565Z",
            "structure_string": "Y8 H24 S24 O96\n1.0\n9.622959 0.000000 0.000000\n0.000000 12.176672 0.000000\n0.000000 0.000000 17.016445\nY H S O\n8 24 24 96\ndirect\n0.832877 0.606489 0.269030 Y\n0.332877 0.393511 0.230970 Y\n0.667123 0.106489 0.730970 Y\n0.167123 0.893511 0.769030 Y\n0.167123 0.393511 0.730970 Y\n0.667123 0.606489 0.769030 Y\n0.332877 0.893511 0.269030 Y\n0.832877 0.106489 0.230970 Y\n0.100819 0.759987 0.070495 H\n0.600819 0.240013 0.429505 H\n0.399181 0.259987 0.929505 H\n0.899181 0.740013 0.570495 H\n0.899181 0.240013 0.929505 H\n0.399181 0.759987 0.570495 H\n0.600819 0.740013 0.070495 H\n0.100819 0.259987 0.429505 H\n0.618041 0.420283 0.997293 H\n0.118041 0.579717 0.502707 H\n0.881959 0.920283 0.002707 H\n0.381959 0.079717 0.497293 H\n0.381959 0.579717 0.002707 H\n0.881959 0.420283 0.497293 H\n0.118041 0.079717 0.997293 H\n0.618041 0.920283 0.502707 H\n0.878478 0.421596 0.055799 H\n0.378478 0.578404 0.444201 H\n0.621522 0.921596 0.944201 H\n0.121522 0.078404 0.555799 H\n0.121522 0.578404 0.944201 H\n0.621522 0.421596 0.555799 H\n0.378478 0.078404 0.055799 H\n0.878478 0.921596 0.444201 H\n0.169560 0.658387 0.165858 S\n0.669560 0.341613 0.334142 S\n0.330440 0.158387 0.834142 S\n0.830440 0.841613 0.665858 S\n0.830440 0.341613 0.834142 S\n0.330440 0.658387 0.665858 S\n0.669560 0.841613 0.165858 S\n0.169560 0.158387 0.334142 S\n0.092775 0.483788 0.397636 S\n0.592775 0.516212 0.102364 S\n0.407225 0.983788 0.602364 S\n0.907225 0.016212 0.897636 S\n0.907225 0.516212 0.602364 S\n0.407225 0.483788 0.897636 S\n0.592775 0.016212 0.397636 S\n0.092775 0.983788 0.102364 S\n0.982948 0.363615 0.159266 S\n0.482948 0.636385 0.340734 S\n0.517052 0.863615 0.840734 S\n0.017052 0.136385 0.659266 S\n0.017052 0.636385 0.840734 S\n0.517052 0.363615 0.659266 S\n0.482948 0.136385 0.159266 S\n0.982948 0.863615 0.340734 S\n0.035661 0.666323 0.206731 O\n0.535661 0.333677 0.293269 O\n0.464339 0.166323 0.793269 O\n0.964339 0.833677 0.706731 O\n0.964339 0.333677 0.793269 O\n0.464339 0.666323 0.706731 O\n0.535661 0.833677 0.206731 O\n0.035661 0.166323 0.293269 O\n0.768739 0.759668 0.193825 O\n0.268739 0.240332 0.306175 O\n0.731261 0.259668 0.806175 O\n0.231261 0.740332 0.693825 O\n0.231261 0.240332 0.806175 O\n0.731261 0.759668 0.693825 O\n0.268739 0.740332 0.193825 O\n0.768739 0.259668 0.306175 O\n0.141543 0.684174 0.076333 O\n0.641543 0.315826 0.423667 O\n0.358457 0.184174 0.923667 O\n0.858457 0.815826 0.576333 O\n0.858457 0.315826 0.923667 O\n0.358457 0.684174 0.576333 O\n0.641543 0.815826 0.076333 O\n0.141543 0.184174 0.423667 O\n0.226872 0.547697 0.164077 O\n0.726872 0.452303 0.335923 O\n0.273128 0.047697 0.835923 O\n0.773128 0.952303 0.664077 O\n0.773128 0.452303 0.835923 O\n0.273128 0.547697 0.664077 O\n0.726872 0.952303 0.164077 O\n0.226872 0.047697 0.335923 O\n0.696520 0.545953 0.160534 O\n0.196520 0.454047 0.339466 O\n0.803480 0.045953 0.839466 O\n0.303480 0.954047 0.660534 O\n0.303480 0.454047 0.839466 O\n0.803480 0.545953 0.660534 O\n0.196520 0.954047 0.160534 O\n0.696520 0.045953 0.339466 O\n0.986988 0.559994 0.369395 O\n0.486988 0.440006 0.130605 O\n0.513012 0.059994 0.630605 O\n0.013012 0.940006 0.869395 O\n0.013012 0.440006 0.630605 O\n0.513012 0.559994 0.869395 O\n0.486988 0.940006 0.369395 O\n0.986988 0.059994 0.130605 O\n0.030170 0.388604 0.438033 O\n0.530170 0.611396 0.061967 O\n0.469830 0.888604 0.561967 O\n0.969830 0.111396 0.938033 O\n0.969830 0.611396 0.561967 O\n0.469830 0.388604 0.938033 O\n0.530170 0.111396 0.438033 O\n0.030170 0.888604 0.061967 O\n0.681613 0.450411 0.038951 O\n0.181613 0.549589 0.461049 O\n0.818387 0.950411 0.961049 O\n0.318387 0.049589 0.538951 O\n0.318387 0.549589 0.961049 O\n0.818387 0.450411 0.538951 O\n0.181613 0.049589 0.038951 O\n0.681613 0.950411 0.461049 O\n0.130099 0.335319 0.167542 O\n0.630099 0.664681 0.332458 O\n0.369901 0.835319 0.832458 O\n0.869901 0.164681 0.667542 O\n0.869901 0.664681 0.832458 O\n0.369901 0.335319 0.667542 O\n0.630099 0.164681 0.167542 O\n0.130099 0.835319 0.332458 O\n0.939109 0.445342 0.217379 O\n0.439109 0.554658 0.282621 O\n0.560891 0.945342 0.782621 O\n0.060891 0.054658 0.717379 O\n0.060891 0.554658 0.782621 O\n0.560891 0.445342 0.717379 O\n0.439109 0.054658 0.217379 O\n0.939109 0.945342 0.282621 O\n0.975751 0.417703 0.074839 O\n0.475751 0.582297 0.425161 O\n0.524249 0.917703 0.925161 O\n0.024249 0.082297 0.574839 O\n0.024249 0.582297 0.925161 O\n0.524249 0.417703 0.574839 O\n0.475751 0.082297 0.074839 O\n0.975751 0.917703 0.425161 O\n0.891787 0.267620 0.156778 O\n0.391787 0.732380 0.343222 O\n0.608213 0.767620 0.843222 O\n0.108213 0.232380 0.656778 O\n0.108213 0.732380 0.843222 O\n0.608213 0.267620 0.656778 O\n0.391787 0.232380 0.156778 O\n0.891787 0.767620 0.343222 O\n",
            "nsites": 152,
            "nelements": 4,
            "elements": [
                "Y",
                "H",
                "S",
                "O"
            ],
            "chemical_system": "H-O-S-Y",
            "density": 2.532508064372182,
            "density_atomic": 0.07623203449458474,
            "volume": 1993.9124150070738,
            "volume_molar": 7.899750806765878,
            "formula_full": "Y8 H24 S24 O96",
            "formula_reduced": "YH3(SO4)3",
            "formula_anonymous": "AB3C3D12",
            "energy": -1016.73250407,
            "energy_per_atom": -6.689029632039474,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -950.78050407,
            "band_gap": 5.288,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 3.25e-05,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:41.036000Z",
            "spacegroup": 61
        },
        {
            "id": "mp-1041631",
            "created_at": "2022-09-04T14:39:27.649768Z",
            "structure_string": "Mg4 Cu8 O16\n1.0\n3.094756 0.000000 0.000000\n0.000000 9.158902 0.000000\n0.000000 0.000000 9.949710\nMg Cu O\n4 8 16\ndirect\n0.862305 0.250000 0.846956 Mg\n0.862305 0.750000 0.653044 Mg\n0.137695 0.250000 0.346956 Mg\n0.137695 0.750000 0.153044 Mg\n0.342591 0.069975 0.614581 Cu\n0.342591 0.569975 0.885419 Cu\n0.657409 0.569975 0.385419 Cu\n0.342591 0.930025 0.885419 Cu\n0.657409 0.930025 0.385419 Cu\n0.342591 0.430025 0.614581 Cu\n0.657409 0.430025 0.114581 Cu\n0.657409 0.069975 0.114581 Cu\n0.628708 0.382556 0.455072 O\n0.371292 0.617444 0.544928 O\n0.994568 0.500000 0.750000 O\n0.371292 0.382556 0.955072 O\n0.371292 0.117444 0.955072 O\n0.355788 0.750000 0.798629 O\n0.628708 0.617444 0.044928 O\n0.644212 0.750000 0.298629 O\n0.994568 0.000000 0.750000 O\n0.005432 0.500000 0.250000 O\n0.628708 0.117444 0.455072 O\n0.644212 0.250000 0.201371 O\n0.355788 0.250000 0.701371 O\n0.005432 0.000000 0.250000 O\n0.628708 0.882556 0.044928 O\n0.371292 0.882556 0.544928 O\n",
            "nsites": 28,
            "nelements": 3,
            "elements": [
                "Mg",
                "Cu",
                "O"
            ],
            "chemical_system": "Cu-Mg-O",
            "density": 5.072985857284629,
            "density_atomic": 0.09928366097214308,
            "volume": 282.02022090881815,
            "volume_molar": 6.0655909552828495,
            "formula_full": "Mg4 Cu8 O16",
            "formula_reduced": "Mg(CuO2)2",
            "formula_anonymous": "AB2C4",
            "energy": -160.32521082,
            "energy_per_atom": -5.725900386428571,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -149.33321082,
            "band_gap": 0.1628000000000002,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 8.63e-05,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:42.681000Z",
            "spacegroup": 57
        },
        {
            "id": "mp-1094178",
            "created_at": "2022-09-04T14:39:27.649749Z",
            "structure_string": "La5 Mg1\n1.0\n1.897778 6.524662 0.000000\n-1.897778 6.524662 0.000000\n0.000000 2.668893 8.474449\nLa Mg\n5 1\ndirect\n0.005295 0.005295 0.036866 La\n0.314391 0.314391 0.332677 La\n0.951263 0.951263 0.573651 La\n0.662829 0.662829 0.683997 La\n0.285270 0.285270 0.934299 La\n0.614285 0.614285 0.271844 Mg\n",
            "nsites": 6,
            "nelements": 2,
            "elements": [
                "La",
                "Mg"
            ],
            "chemical_system": "La-Mg",
            "density": 5.687636317174658,
            "density_atomic": 0.02858948669092352,
            "volume": 209.86735665683906,
            "volume_molar": 21.064179378610135,
            "formula_full": "La5 Mg1",
            "formula_reduced": "La5Mg",
            "formula_anonymous": "AB5",
            "energy": -26.23067135,
            "energy_per_atom": -4.371778558333333,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -26.23067135,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0282553,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:38.557000Z",
            "spacegroup": 8
        },
        {
            "id": "mp-1042473",
            "created_at": "2022-09-04T14:39:27.653439Z",
            "structure_string": "Ba2 Y2 Mn2 Cu2 O10\n1.0\n-3.891134 3.908084 0.000920\n-3.891151 -3.908099 0.000907\n-3.892982 0.000007 7.829669\nBa Y Mn Cu O\n2 2 2 2 10\ndirect\n0.005127 0.005147 0.989678 Ba\n0.505144 0.505130 0.989681 Ba\n0.270360 0.270365 0.459357 Y\n0.770364 0.770351 0.459357 Y\n0.150405 0.650421 0.698983 Mn\n0.649966 0.149972 0.699815 Mn\n0.379572 0.879583 0.240730 Cu\n0.876704 0.376699 0.246546 Cu\n0.024707 0.524709 0.951118 O\n0.523822 0.023819 0.952967 O\n0.427915 0.927915 0.643337 O\n0.928720 0.428716 0.643385 O\n0.929799 0.928380 0.641602 O\n0.428380 0.429802 0.641602 O\n0.108919 0.608915 0.279994 O\n0.610971 0.110965 0.280016 O\n0.109580 0.111624 0.278834 O\n0.611627 0.609579 0.278834 O\n",
            "nsites": 18,
            "nelements": 5,
            "elements": [
                "Ba",
                "Y",
                "Mn",
                "Cu",
                "O"
            ],
            "chemical_system": "Ba-Cu-Mn-O-Y",
            "density": 5.923944789800543,
            "density_atomic": 0.0755975889413233,
            "volume": 238.10283174468813,
            "volume_molar": 7.966048711783936,
            "formula_full": "Ba2 Y2 Mn2 Cu2 O10",
            "formula_reduced": "BaYMnCuO5",
            "formula_anonymous": "ABCDE5",
            "energy": -138.42290659,
            "energy_per_atom": -7.690161477222222,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -128.21690659,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 7.7502638,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:32.783000Z",
            "spacegroup": 99
        },
        {
            "id": "mp-93",
            "created_at": "2022-09-04T14:39:27.657490Z",
            "structure_string": "U30\n1.0\n10.433955 0.000000 0.000000\n0.000000 10.433955 0.000000\n0.000000 0.000000 5.653269\nU\n30\ndirect\n0.500000 0.500000 0.500000 U\n0.000000 0.000000 0.000000 U\n0.889046 0.110954 0.500000 U\n0.110954 0.889046 0.500000 U\n0.389046 0.389046 0.000000 U\n0.610954 0.610954 0.000000 U\n0.952900 0.361970 0.500000 U\n0.047100 0.638030 0.500000 U\n0.452900 0.138030 0.000000 U\n0.547100 0.861970 0.000000 U\n0.361970 0.952900 0.500000 U\n0.638030 0.047100 0.500000 U\n0.138030 0.452900 0.000000 U\n0.861970 0.547100 0.000000 U\n0.234212 0.443962 0.500000 U\n0.765788 0.556038 0.500000 U\n0.734212 0.056038 0.000000 U\n0.265788 0.943962 0.000000 U\n0.443962 0.234212 0.500000 U\n0.556038 0.765788 0.500000 U\n0.056038 0.734212 0.000000 U\n0.943962 0.265788 0.000000 U\n0.679723 0.320277 0.225695 U\n0.320277 0.679723 0.225695 U\n0.179723 0.179723 0.725695 U\n0.820277 0.820277 0.725695 U\n0.320277 0.679723 0.774305 U\n0.679723 0.320277 0.774305 U\n0.820277 0.820277 0.274305 U\n0.179723 0.179723 0.274305 U\n",
            "nsites": 30,
            "nelements": 1,
            "elements": [
                "U"
            ],
            "chemical_system": "U",
            "density": 19.266485072517842,
            "density_atomic": 0.04874428282566062,
            "volume": 615.4567933084246,
            "volume_molar": 12.354558136671862,
            "formula_full": "U30",
            "formula_reduced": "U",
            "formula_anonymous": "A",
            "energy": -335.68289859,
            "energy_per_atom": -11.189429953,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -335.68289859,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.4516511,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:26.536000Z",
            "spacegroup": 136
        },
        {
            "id": "mp-777884",
            "created_at": "2022-09-04T14:39:27.658830Z",
            "structure_string": "Li32 Mn13 Cr3 O48\n1.0\n-4.999655 0.000000 0.000000\n-0.037305 -8.677327 0.000000\n1.624754 2.783986 19.194087\nLi Mn Cr O\n32 13 3 48\ndirect\n0.991585 0.168448 0.249443 Li\n0.875486 0.374579 0.375122 Li\n0.749710 0.250036 0.000073 Li\n0.745747 0.920398 0.000540 Li\n0.991475 0.168259 0.750177 Li\n0.755542 0.579774 0.499931 Li\n0.874633 0.374648 0.874818 Li\n0.751359 0.250263 0.499961 Li\n0.744801 0.920558 0.500884 Li\n0.624764 0.125088 0.125016 Li\n0.756156 0.579888 0.000111 Li\n0.507115 0.331589 0.250433 Li\n0.627134 0.124433 0.624831 Li\n0.500330 0.000273 0.249967 Li\n0.493981 0.668459 0.249907 Li\n0.508678 0.334338 0.750576 Li\n0.376996 0.874307 0.374851 Li\n0.500142 0.000068 0.750047 Li\n0.250064 0.750173 0.000077 Li\n0.490217 0.665610 0.749227 Li\n0.244972 0.419991 0.000196 Li\n0.372852 0.875604 0.875184 Li\n0.255067 0.080831 0.499491 Li\n0.249726 0.749670 0.500023 Li\n0.124882 0.625047 0.125027 Li\n0.242299 0.419239 0.499646 Li\n0.006135 0.831385 0.249951 Li\n0.254118 0.079676 0.999485 Li\n0.125214 0.624453 0.625131 Li\n0.000149 0.499868 0.249932 Li\n0.008749 0.831604 0.749926 Li\n0.000784 0.500105 0.749879 Li\n0.872812 0.707155 0.374365 Mn\n0.877014 0.042782 0.875721 Mn\n0.625700 0.791411 0.125020 Mn\n0.624585 0.458450 0.125004 Mn\n0.625090 0.791526 0.625106 Mn\n0.626141 0.460153 0.625696 Mn\n0.374901 0.541650 0.375001 Mn\n0.375481 0.210145 0.375579 Mn\n0.373480 0.540028 0.874344 Mn\n0.374927 0.208453 0.874957 Mn\n0.124627 0.958486 0.124955 Mn\n0.125781 0.291428 0.124950 Mn\n0.122853 0.957077 0.624356 Mn\n0.880917 0.040238 0.374914 Cr\n0.868165 0.709025 0.875137 Cr\n0.131981 0.290162 0.624927 Cr\n0.963592 0.106977 0.069094 O\n0.928379 0.785200 0.068997 O\n0.927560 0.427476 0.067959 O\n0.961907 0.102699 0.568175 O\n0.821838 0.964741 0.180990 O\n0.822704 0.322494 0.181960 O\n0.928302 0.784295 0.569094 O\n0.926021 0.426523 0.568086 O\n0.786494 0.642933 0.180849 O\n0.711763 0.853410 0.318339 O\n0.821166 0.964915 0.681052 O\n0.822016 0.323270 0.681973 O\n0.678042 0.534344 0.318976 O\n0.675724 0.176555 0.317821 O\n0.787665 0.644134 0.681146 O\n0.719577 0.856608 0.819244 O\n0.463857 0.606760 0.069006 O\n0.570891 0.714784 0.430940 O\n0.571685 0.073699 0.432091 O\n0.674419 0.533184 0.818712 O\n0.677159 0.177513 0.818009 O\n0.427811 0.927418 0.068078 O\n0.428545 0.285288 0.069043 O\n0.537327 0.394052 0.431044 O\n0.463506 0.607454 0.569100 O\n0.571876 0.712804 0.930991 O\n0.572554 0.072443 0.931928 O\n0.322465 0.822582 0.181923 O\n0.321781 0.464697 0.180934 O\n0.427513 0.927683 0.568068 O\n0.426311 0.287307 0.569237 O\n0.536383 0.392730 0.930945 O\n0.286133 0.143090 0.180909 O\n0.213259 0.357393 0.319031 O\n0.322970 0.822512 0.682060 O\n0.326184 0.467252 0.681559 O\n0.177269 0.677677 0.318003 O\n0.176053 0.037278 0.318990 O\n0.281548 0.143363 0.680857 O\n0.212088 0.355923 0.818898 O\n0.072635 0.572365 0.431970 O\n0.075862 0.217123 0.431600 O\n0.179361 0.676813 0.817860 O\n0.179033 0.035226 0.819035 O\n0.032047 0.893155 0.430820 O\n0.073653 0.574298 0.931992 O\n0.071798 0.215802 0.930928 O\n0.037955 0.896926 0.931788 O\n",
            "nsites": 96,
            "nelements": 4,
            "elements": [
                "Li",
                "Mn",
                "Cr",
                "O"
            ],
            "chemical_system": "Cr-Li-Mn-O",
            "density": 3.709630947680401,
            "density_atomic": 0.11528631912144773,
            "volume": 832.7093859148139,
            "volume_molar": 5.22363868140851,
            "formula_full": "Li32 Mn13 Cr3 O48",
            "formula_reduced": "Li32Mn13Cr3O48",
            "formula_anonymous": "A3B13C32D48",
            "energy": -657.8380645000001,
            "energy_per_atom": -6.852479838541668,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -597.1810645,
            "band_gap": 1.2401000000000002,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 45.1673477,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:29.065000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-1225382",
            "created_at": "2022-09-04T14:39:27.664801Z",
            "structure_string": "Dy4 Al4 Ni4\n1.0\n-2.632314 -4.616724 0.000000\n-5.315672 0.029462 0.000000\n0.000000 0.000000 -8.458697\nDy Al Ni\n4 4 4\ndirect\n0.332720 0.332685 0.545240 Dy\n0.670128 0.670152 0.424528 Dy\n0.670128 0.670152 0.075472 Dy\n0.332720 0.332685 0.954760 Dy\n0.995629 0.995710 0.488415 Al\n0.995629 0.995710 0.011585 Al\n0.831972 0.341011 0.750000 Al\n0.340995 0.831959 0.750000 Al\n0.831093 0.831097 0.750000 Ni\n0.167970 0.663955 0.250000 Ni\n0.664051 0.167927 0.250000 Ni\n0.166963 0.166957 0.250000 Ni\n",
            "nsites": 12,
            "nelements": 3,
            "elements": [
                "Dy",
                "Al",
                "Ni"
            ],
            "chemical_system": "Al-Dy-Ni",
            "density": 7.915916129623447,
            "density_atomic": 0.057625594424247965,
            "volume": 208.2408020237373,
            "volume_molar": 10.450461848018659,
            "formula_full": "Dy4 Al4 Ni4",
            "formula_reduced": "DyAlNi",
            "formula_anonymous": "ABC",
            "energy": -62.70234397,
            "energy_per_atom": -5.225195330833333,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -62.70234397,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0052181,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:26.031000Z",
            "spacegroup": 38
        },
        {
            "id": "mp-753801",
            "created_at": "2022-09-04T14:39:27.668270Z",
            "structure_string": "Cs4 Sr4 O6\n1.0\n7.515486 0.000000 0.000000\n0.000000 7.227120 0.000000\n0.000000 3.290254 6.687132\nCs Sr O\n4 4 6\ndirect\n0.352654 0.822196 0.922930 Cs\n0.147346 0.822196 0.422930 Cs\n0.852654 0.177804 0.577070 Cs\n0.647346 0.177804 0.077070 Cs\n0.620703 0.666744 0.568857 Sr\n0.120703 0.333256 0.931143 Sr\n0.879297 0.666744 0.068857 Sr\n0.379297 0.333256 0.431143 Sr\n0.500000 0.000000 0.500000 O\n0.000000 0.000000 0.000000 O\n0.891269 0.598157 0.770794 O\n0.391269 0.401843 0.729206 O\n0.608731 0.598157 0.270794 O\n0.108731 0.401843 0.229206 O\n",
            "nsites": 14,
            "nelements": 3,
            "elements": [
                "Cs",
                "Sr",
                "O"
            ],
            "chemical_system": "Cs-O-Sr",
            "density": 4.471665701297922,
            "density_atomic": 0.03854480063343365,
            "volume": 363.21370898093164,
            "volume_molar": 15.623743438891761,
            "formula_full": "Cs4 Sr4 O6",
            "formula_reduced": "Cs2Sr2O3",
            "formula_anonymous": "A2B2C3",
            "energy": -70.83451004,
            "energy_per_atom": -5.05960786,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -66.71251004,
            "band_gap": 2.1334,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0004837,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:31.282000Z",
            "spacegroup": 14
        }
    ]
}