GET /third-parties/MatprojStructure/?format=api&ordering=-decomposes_to&page=11455
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=-decomposes_to&page=11456",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-decomposes_to&page=11454",
    "results": [
        {
            "id": "mp-1226310",
            "created_at": "2022-09-04T14:46:06.980758Z",
            "structure_string": "Cr2 Fe2 B4\n1.0\n2.937635 0.000000 0.000000\n0.000000 4.112914 0.000000\n0.000000 0.000000 5.491280\nCr Fe B\n2 2 4\ndirect\n0.000000 0.126061 0.679685 Cr\n0.000000 0.873939 0.179685 Cr\n0.500000 0.364237 0.321138 Fe\n0.500000 0.635763 0.821138 Fe\n0.000000 0.628382 0.534369 B\n0.000000 0.371618 0.034369 B\n0.500000 0.856210 0.464809 B\n0.500000 0.143790 0.964809 B\n",
            "nsites": 8,
            "nelements": 3,
            "elements": [
                "Cr",
                "Fe",
                "B"
            ],
            "chemical_system": "B-Cr-Fe",
            "density": 6.480433280930656,
            "density_atomic": 0.12057823863954938,
            "volume": 66.34696351731264,
            "volume_molar": 4.9943844162480175,
            "formula_full": "Cr2 Fe2 B4",
            "formula_reduced": "CrFeB2",
            "formula_anonymous": "ABC2",
            "energy": -66.27618116,
            "energy_per_atom": -8.284522645,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -66.27618116,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 4.2157362,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:27.975000Z",
            "spacegroup": 26
        },
        {
            "id": "mp-865610",
            "created_at": "2022-09-04T14:46:06.981964Z",
            "structure_string": "Lu1 H3\n1.0\n-1.674081 1.674081 2.782202\n1.674081 -1.674081 2.782202\n1.674081 1.674081 -2.782202\nLu H\n1 3\ndirect\n0.000000 0.000000 0.000000 Lu\n0.750000 0.250000 0.500000 H\n0.250000 0.750000 0.500000 H\n0.500000 0.500000 0.000000 H\n",
            "nsites": 4,
            "nelements": 2,
            "elements": [
                "Lu",
                "H"
            ],
            "chemical_system": "H-Lu",
            "density": 9.476437806945185,
            "density_atomic": 0.12825030503602655,
            "volume": 31.18900963920801,
            "volume_molar": 4.695615155307686,
            "formula_full": "Lu1 H3",
            "formula_reduced": "LuH3",
            "formula_anonymous": "AB3",
            "energy": -17.24763772,
            "energy_per_atom": -4.31190943,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -16.71063772,
            "band_gap": 0.0221999999999997,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 2.22e-05,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:26.592000Z",
            "spacegroup": 139
        },
        {
            "id": "mp-768731",
            "created_at": "2022-09-04T14:46:06.988497Z",
            "structure_string": "Li8 Bi4 B4 O16\n1.0\n4.939246 0.000000 0.000000\n0.000000 6.671699 0.000000\n0.000000 0.000000 10.504788\nLi Bi B O\n8 4 4 16\ndirect\n0.183479 0.999166 0.582796 Li\n0.316521 0.999166 0.082796 Li\n0.316521 0.500834 0.082796 Li\n0.183479 0.500834 0.582796 Li\n0.683479 0.499166 0.917204 Li\n0.816521 0.499166 0.417204 Li\n0.816521 0.000834 0.417204 Li\n0.683479 0.000834 0.917204 Li\n0.193971 0.250000 0.829131 Bi\n0.306029 0.250000 0.329131 Bi\n0.693971 0.750000 0.670869 Bi\n0.806029 0.750000 0.170869 Bi\n0.671035 0.250000 0.654396 B\n0.828965 0.250000 0.154396 B\n0.328965 0.750000 0.345604 B\n0.171035 0.750000 0.845604 B\n0.795233 0.070176 0.597399 O\n0.704767 0.070176 0.097399 O\n0.365010 0.250000 0.633562 O\n0.792344 0.250000 0.301007 O\n0.707656 0.250000 0.801007 O\n0.134990 0.250000 0.133562 O\n0.704767 0.429824 0.097399 O\n0.795233 0.429824 0.597399 O\n0.204767 0.570176 0.402601 O\n0.295233 0.570176 0.902601 O\n0.634990 0.750000 0.366438 O\n0.865010 0.750000 0.866438 O\n0.207656 0.750000 0.698993 O\n0.292344 0.750000 0.198993 O\n0.204767 0.929824 0.402601 O\n0.295233 0.929824 0.902601 O\n",
            "nsites": 32,
            "nelements": 4,
            "elements": [
                "Li",
                "Bi",
                "B",
                "O"
            ],
            "chemical_system": "B-Bi-Li-O",
            "density": 5.711645199259292,
            "density_atomic": 0.09244120219438061,
            "volume": 346.1659870315408,
            "volume_molar": 6.5145634382133535,
            "formula_full": "Li8 Bi4 B4 O16",
            "formula_reduced": "Li2BiBO4",
            "formula_anonymous": "ABC2D4",
            "energy": -207.87338432,
            "energy_per_atom": -6.49604326,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -196.88138432,
            "band_gap": 1.9029,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0036114,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:26.866000Z",
            "spacegroup": 62
        },
        {
            "id": "mp-1198916",
            "created_at": "2022-09-04T14:46:06.924304Z",
            "structure_string": "K4 Si8 H56 C16 N4\n1.0\n6.140260 0.000000 0.000000\n0.000000 15.655985 0.000000\n0.000000 0.000000 11.763668\nK Si H C N\n4 8 56 16 4\ndirect\n0.657033 0.250000 0.348521 K\n0.157033 0.250000 0.151479 K\n0.342967 0.750000 0.651479 K\n0.842967 0.750000 0.848521 K\n0.142586 0.348600 0.454068 Si\n0.642586 0.151400 0.045932 Si\n0.857414 0.848600 0.545932 Si\n0.357414 0.651400 0.954068 Si\n0.857414 0.651400 0.545932 Si\n0.357414 0.848600 0.954068 Si\n0.142586 0.151400 0.454068 Si\n0.642586 0.348600 0.045932 Si\n0.293005 0.425763 0.282337 H\n0.793005 0.074237 0.217663 H\n0.706995 0.925763 0.717663 H\n0.206995 0.574237 0.782337 H\n0.706995 0.574237 0.717663 H\n0.206995 0.925763 0.782337 H\n0.293005 0.074237 0.282337 H\n0.793005 0.425763 0.217663 H\n0.250054 0.496656 0.397730 H\n0.750054 0.003344 0.102270 H\n0.749946 0.996656 0.602270 H\n0.249946 0.503344 0.897730 H\n0.749946 0.503344 0.602270 H\n0.249946 0.996656 0.897730 H\n0.250054 0.003344 0.397730 H\n0.750054 0.496656 0.102270 H\n0.479195 0.428542 0.398740 H\n0.979195 0.071458 0.101260 H\n0.520805 0.928542 0.601260 H\n0.020805 0.571458 0.898740 H\n0.520805 0.571458 0.601260 H\n0.020805 0.928542 0.898740 H\n0.479195 0.071458 0.398740 H\n0.979195 0.428542 0.101260 H\n0.371131 0.348388 0.630322 H\n0.871131 0.151612 0.869678 H\n0.628869 0.848388 0.369678 H\n0.128869 0.651612 0.130322 H\n0.628869 0.651612 0.369678 H\n0.128869 0.848388 0.130322 H\n0.371131 0.151612 0.630322 H\n0.871131 0.348388 0.869678 H\n0.179527 0.433205 0.631317 H\n0.679527 0.066795 0.868683 H\n0.820473 0.933205 0.368683 H\n0.320473 0.566795 0.131317 H\n0.820473 0.566795 0.368683 H\n0.320473 0.933205 0.131317 H\n0.179527 0.066795 0.631317 H\n0.679527 0.433205 0.868683 H\n0.094377 0.327847 0.665648 H\n0.594377 0.172153 0.834352 H\n0.905623 0.827847 0.334352 H\n0.405623 0.672153 0.165648 H\n0.905623 0.672153 0.334352 H\n0.405623 0.827847 0.165648 H\n0.094377 0.172153 0.665648 H\n0.594377 0.327847 0.834352 H\n0.906083 0.377768 0.440271 H\n0.406083 0.122232 0.059729 H\n0.093917 0.877768 0.559729 H\n0.593917 0.622232 0.940271 H\n0.093917 0.622232 0.559729 H\n0.593917 0.877768 0.940271 H\n0.906083 0.122232 0.440271 H\n0.406083 0.377768 0.059729 H\n0.306046 0.431930 0.375335 C\n0.806046 0.068070 0.124665 C\n0.693954 0.931930 0.624665 C\n0.193954 0.568070 0.875335 C\n0.693954 0.568070 0.624665 C\n0.193954 0.931930 0.875335 C\n0.306046 0.068070 0.375335 C\n0.806046 0.431930 0.124665 C\n0.201844 0.365296 0.610119 C\n0.701844 0.134704 0.889881 C\n0.798156 0.865296 0.389881 C\n0.298156 0.634704 0.110119 C\n0.798156 0.634704 0.389881 C\n0.298156 0.865296 0.110119 C\n0.201844 0.134704 0.610119 C\n0.701844 0.365296 0.889881 C\n0.182267 0.250000 0.397669 N\n0.682267 0.250000 0.102331 N\n0.817733 0.750000 0.602331 N\n0.317733 0.750000 0.897669 N\n",
            "nsites": 88,
            "nelements": 5,
            "elements": [
                "K",
                "Si",
                "H",
                "C",
                "N"
            ],
            "chemical_system": "C-H-K-N-Si",
            "density": 1.0068989682326126,
            "density_atomic": 0.07781669029007703,
            "volume": 1130.8627965538328,
            "volume_molar": 7.738880614880027,
            "formula_full": "K4 Si8 H56 C16 N4",
            "formula_reduced": "KSi2H14C4N",
            "formula_anonymous": "ABC2D4E14",
            "energy": -444.06509655,
            "energy_per_atom": -5.046194278977273,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -442.62109655,
            "band_gap": 4.0663,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0813678,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:24.542000Z",
            "spacegroup": 62
        },
        {
            "id": "mp-662599",
            "created_at": "2022-09-04T14:46:06.929186Z",
            "structure_string": "Ag36 As12 Se36\n1.0\n8.237619 0.000000 0.000000\n0.000000 11.502629 0.000000\n0.000000 0.000000 21.106004\nAg As Se\n36 12 36\ndirect\n0.214338 0.429426 0.057295 Ag\n0.285662 0.929426 0.557295 Ag\n0.144392 0.517476 0.822583 Ag\n0.144392 0.982524 0.822583 Ag\n0.331612 0.389667 0.715598 Ag\n0.775477 0.750000 0.630915 Ag\n0.785662 0.929426 0.942705 Ag\n0.876749 0.534946 0.559931 Ag\n0.668388 0.610333 0.284402 Ag\n0.623251 0.034946 0.059931 Ag\n0.644392 0.517476 0.677417 Ag\n0.876749 0.965054 0.559931 Ag\n0.355608 0.017476 0.322583 Ag\n0.855608 0.482524 0.177417 Ag\n0.376749 0.965054 0.940069 Ag\n0.224523 0.250000 0.369085 Ag\n0.214338 0.070574 0.057295 Ag\n0.376749 0.534946 0.940069 Ag\n0.331612 0.110333 0.715598 Ag\n0.644392 0.982524 0.677417 Ag\n0.123251 0.465054 0.440069 Ag\n0.168388 0.889667 0.215598 Ag\n0.724523 0.250000 0.130915 Ag\n0.285662 0.570574 0.557295 Ag\n0.714338 0.070574 0.442705 Ag\n0.785662 0.570574 0.942705 Ag\n0.275477 0.750000 0.869085 Ag\n0.855608 0.017476 0.177417 Ag\n0.831612 0.389667 0.784402 Ag\n0.355608 0.482524 0.322583 Ag\n0.668388 0.889667 0.284402 Ag\n0.623251 0.465054 0.059931 Ag\n0.168388 0.610333 0.215598 Ag\n0.831612 0.110333 0.784402 Ag\n0.123251 0.034946 0.440069 Ag\n0.714338 0.429426 0.442705 Ag\n0.787462 0.750000 0.793832 As\n0.752626 0.750000 0.107765 As\n0.212538 0.250000 0.206168 As\n0.281263 0.750000 0.053683 As\n0.247374 0.250000 0.892235 As\n0.712538 0.250000 0.293832 As\n0.287462 0.750000 0.706168 As\n0.252626 0.750000 0.392235 As\n0.781263 0.750000 0.446317 As\n0.747374 0.250000 0.607765 As\n0.218737 0.250000 0.553683 As\n0.718737 0.250000 0.946317 As\n0.601672 0.416532 0.563260 Se\n0.398328 0.916532 0.436740 Se\n0.450012 0.750000 0.609951 Se\n0.513949 0.250000 0.031918 Se\n0.898328 0.916532 0.063260 Se\n0.898328 0.583468 0.063260 Se\n0.101672 0.083468 0.936740 Se\n0.917303 0.596390 0.731168 Se\n0.082697 0.403610 0.268832 Se\n0.113018 0.250000 0.787718 Se\n0.549988 0.250000 0.390049 Se\n0.121464 0.088590 0.618530 Se\n0.986051 0.750000 0.531918 Se\n0.601672 0.083468 0.563260 Se\n0.101672 0.416532 0.936740 Se\n0.582697 0.096390 0.231168 Se\n0.049988 0.250000 0.109951 Se\n0.121464 0.411410 0.618530 Se\n0.613018 0.250000 0.712282 Se\n0.878536 0.911410 0.381470 Se\n0.378536 0.588590 0.118530 Se\n0.417303 0.903610 0.768832 Se\n0.082697 0.096390 0.268832 Se\n0.582697 0.403610 0.231168 Se\n0.398328 0.583468 0.436740 Se\n0.950012 0.750000 0.890049 Se\n0.378536 0.911410 0.118530 Se\n0.878536 0.588590 0.381470 Se\n0.917303 0.903610 0.731168 Se\n0.621464 0.411410 0.881470 Se\n0.417303 0.596390 0.768832 Se\n0.013949 0.250000 0.468082 Se\n0.886982 0.750000 0.212282 Se\n0.386982 0.750000 0.287718 Se\n0.621464 0.088590 0.881470 Se\n0.486051 0.750000 0.968082 Se\n",
            "nsites": 84,
            "nelements": 3,
            "elements": [
                "Ag",
                "As",
                "Se"
            ],
            "chemical_system": "Ag-As-Se",
            "density": 6.331067758862241,
            "density_atomic": 0.04200243380171505,
            "volume": 1999.8841113957092,
            "volume_molar": 14.337599550610097,
            "formula_full": "Ag36 As12 Se36",
            "formula_reduced": "Ag3AsSe3",
            "formula_anonymous": "AB3C3",
            "energy": -309.63890853000004,
            "energy_per_atom": -3.6861774825000007,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -292.64690853,
            "band_gap": 0.8391000000000002,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0358069,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:24.322000Z",
            "spacegroup": 62
        },
        {
            "id": "mp-541668",
            "created_at": "2022-09-04T14:46:07.100740Z",
            "structure_string": "Sb8 P16 O56\n1.0\n16.333083 0.000000 0.000000\n0.000000 8.225870 0.000000\n0.000000 0.025808 8.310691\nSb P O\n8 16 56\ndirect\n0.873194 0.154343 0.528257 Sb\n0.373194 0.845657 0.971743 Sb\n0.126806 0.845657 0.471743 Sb\n0.626806 0.154343 0.028257 Sb\n0.366750 0.368644 0.484423 Sb\n0.866750 0.631356 0.015577 Sb\n0.633250 0.631356 0.515577 Sb\n0.133250 0.368644 0.984423 Sb\n0.678117 0.033509 0.403445 P\n0.178117 0.966491 0.096555 P\n0.321883 0.966491 0.596555 P\n0.821883 0.033509 0.903445 P\n0.667022 0.540689 0.111536 P\n0.167022 0.459311 0.388464 P\n0.332978 0.459311 0.888464 P\n0.832978 0.540689 0.611536 P\n0.589366 0.253115 0.638330 P\n0.089366 0.746885 0.861670 P\n0.410634 0.746885 0.361670 P\n0.910634 0.253115 0.138330 P\n0.428023 0.219210 0.072671 P\n0.928023 0.780790 0.427329 P\n0.571977 0.780790 0.927329 P\n0.071977 0.219210 0.572671 P\n0.415749 0.071110 0.957725 O\n0.915749 0.928890 0.542275 O\n0.584251 0.928890 0.042275 O\n0.084251 0.071110 0.457725 O\n0.374035 0.226796 0.216766 O\n0.874035 0.773204 0.283234 O\n0.625965 0.773204 0.783234 O\n0.125965 0.226796 0.716766 O\n0.415414 0.371173 0.952001 O\n0.915414 0.628827 0.547999 O\n0.584586 0.628827 0.047999 O\n0.084586 0.371173 0.452001 O\n0.669981 0.378318 0.015075 O\n0.169981 0.621682 0.484925 O\n0.330019 0.621682 0.984925 O\n0.830019 0.378318 0.515075 O\n0.520514 0.233467 0.118617 O\n0.020514 0.766533 0.381383 O\n0.479486 0.766533 0.881383 O\n0.979486 0.233467 0.618617 O\n0.658258 0.376679 0.627942 O\n0.158258 0.623321 0.872058 O\n0.341742 0.623321 0.372058 O\n0.841742 0.376679 0.127942 O\n0.343944 0.489087 0.709570 O\n0.843944 0.510913 0.790430 O\n0.656056 0.510913 0.290430 O\n0.156056 0.489087 0.209570 O\n0.665911 0.143215 0.253495 O\n0.165911 0.856785 0.246505 O\n0.334089 0.856785 0.746505 O\n0.834089 0.143215 0.753495 O\n0.337969 0.144299 0.625337 O\n0.837969 0.855701 0.874663 O\n0.662031 0.855701 0.374663 O\n0.162031 0.144299 0.125337 O\n0.238613 0.352992 0.439499 O\n0.738613 0.647008 0.060501 O\n0.761387 0.647008 0.560501 O\n0.261387 0.352992 0.939499 O\n0.582553 0.170738 0.809449 O\n0.082553 0.829262 0.690551 O\n0.417447 0.829262 0.190551 O\n0.917447 0.170738 0.309449 O\n0.614518 0.092203 0.534202 O\n0.114518 0.907797 0.965798 O\n0.385482 0.907797 0.465798 O\n0.885482 0.092203 0.034202 O\n0.506975 0.309770 0.583099 O\n0.006975 0.690230 0.916901 O\n0.493025 0.690230 0.416901 O\n0.993025 0.309770 0.083099 O\n0.765581 0.063912 0.465311 O\n0.265581 0.936088 0.034689 O\n0.234419 0.936088 0.534689 O\n0.734419 0.063912 0.965311 O\n",
            "nsites": 80,
            "nelements": 3,
            "elements": [
                "Sb",
                "P",
                "O"
            ],
            "chemical_system": "O-P-Sb",
            "density": 3.5180997180114293,
            "density_atomic": 0.07164779695510874,
            "volume": 1116.5730615572782,
            "volume_molar": 8.405200181902591,
            "formula_full": "Sb8 P16 O56",
            "formula_reduced": "SbP2O7",
            "formula_anonymous": "AB2C7",
            "energy": -587.74525336,
            "energy_per_atom": -7.3468156669999996,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -549.27325336,
            "band_gap": 2.2393,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0001593,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:25.118000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-600236",
            "created_at": "2022-09-04T14:46:07.144384Z",
            "structure_string": "Cu8 H40 C24 S12 N16\n1.0\n30.635180 0.000000 0.000000\n0.000000 5.798543 0.000000\n0.000000 2.893312 7.068150\nCu H C S N\n8 40 24 12 16\ndirect\n0.040686 0.924909 0.166729 Cu\n0.214102 0.320254 0.236175 Cu\n0.714102 0.679746 0.763825 Cu\n0.540686 0.075091 0.833271 Cu\n0.960287 0.073843 0.329433 Cu\n0.460287 0.926157 0.670567 Cu\n0.786595 0.684695 0.262162 Cu\n0.286595 0.315305 0.737838 Cu\n0.362696 0.918409 0.036857 H\n0.096972 0.702771 0.679520 H\n0.948405 0.959560 0.767405 H\n0.391542 0.861120 0.419840 H\n0.846556 0.703927 0.740770 H\n0.418375 0.291015 0.255273 H\n0.137408 0.917588 0.537358 H\n0.912377 0.770584 0.955058 H\n0.051315 0.049104 0.727958 H\n0.403551 0.707759 0.176472 H\n0.346911 0.675203 0.253661 H\n0.828836 0.977806 0.550806 H\n0.314878 0.073042 0.212358 H\n0.608749 0.141142 0.076621 H\n0.684453 0.924482 0.290614 H\n0.448405 0.040440 0.232595 H\n0.328836 0.022194 0.449194 H\n0.862696 0.081591 0.963143 H\n0.891542 0.138880 0.580160 H\n0.580504 0.713245 0.242212 H\n0.170453 0.033618 0.950101 H\n0.903551 0.292241 0.823528 H\n0.814878 0.926958 0.787642 H\n0.670453 0.966382 0.049899 H\n0.587013 0.771903 0.455736 H\n0.653816 0.323004 0.244374 H\n0.412377 0.229416 0.044942 H\n0.596972 0.297229 0.320480 H\n0.637408 0.082412 0.462642 H\n0.153816 0.676996 0.755626 H\n0.652012 0.698055 0.244799 H\n0.918375 0.708985 0.744727 H\n0.080504 0.286755 0.757788 H\n0.108749 0.858858 0.923379 H\n0.087013 0.228097 0.544264 H\n0.846911 0.324797 0.746339 H\n0.184453 0.075518 0.709386 H\n0.152012 0.301945 0.755201 H\n0.551315 0.950896 0.272042 H\n0.346556 0.296073 0.259230 H\n0.113250 0.274214 0.186563 C\n0.082219 0.150454 0.695104 C\n0.582219 0.849546 0.304896 C\n0.659400 0.895738 0.199134 C\n0.263470 0.772160 0.854157 C\n0.236601 0.770141 0.354864 C\n0.488921 0.517814 0.527606 C\n0.010709 0.523839 0.031146 C\n0.417474 0.150901 0.192123 C\n0.839612 0.901796 0.697780 C\n0.736601 0.229859 0.645136 C\n0.510709 0.476161 0.968854 C\n0.613250 0.725786 0.813437 C\n0.917474 0.849099 0.807877 C\n0.339612 0.098204 0.302220 C\n0.626831 0.199689 0.315509 C\n0.872600 0.199439 0.819663 C\n0.988921 0.482186 0.472394 C\n0.372600 0.800561 0.180337 C\n0.159400 0.104262 0.800866 C\n0.887251 0.727730 0.308923 C\n0.126831 0.800311 0.684491 C\n0.387251 0.272270 0.691077 C\n0.763470 0.227840 0.145843 C\n0.243543 0.490579 0.907432 S\n0.487185 0.726027 0.984968 S\n0.743543 0.509421 0.092568 S\n0.644960 0.510007 0.787734 S\n0.256599 0.490015 0.407754 S\n0.855586 0.515160 0.282304 S\n0.756599 0.509985 0.592246 S\n0.512983 0.274114 0.510451 S\n0.987185 0.273973 0.015032 S\n0.355586 0.484840 0.717696 S\n0.012983 0.725886 0.489549 S\n0.144960 0.489993 0.212266 S\n0.381471 0.971464 0.283861 N\n0.529377 0.312685 0.947476 N\n0.589515 0.878317 0.825514 N\n0.972337 0.308354 0.446621 N\n0.472337 0.691646 0.553379 N\n0.881471 0.028536 0.716139 N\n0.411035 0.124936 0.669817 N\n0.618203 0.030149 0.213366 N\n0.118203 0.969851 0.786634 N\n0.277847 0.975389 0.811395 N\n0.721622 0.032564 0.681645 N\n0.221622 0.967436 0.318355 N\n0.777847 0.024611 0.188605 N\n0.911035 0.875064 0.330183 N\n0.089515 0.121683 0.174486 N\n0.029377 0.687315 0.052524 N\n",
            "nsites": 100,
            "nelements": 5,
            "elements": [
                "Cu",
                "H",
                "C",
                "S",
                "N"
            ],
            "chemical_system": "C-Cu-H-N-S",
            "density": 1.9121463689263467,
            "density_atomic": 0.07964434115456456,
            "volume": 1255.5819854913675,
            "volume_molar": 7.561291452349293,
            "formula_full": "Cu8 H40 C24 S12 N16",
            "formula_reduced": "Cu2H10C6S3N4",
            "formula_anonymous": "A2B3C4D6E10",
            "energy": -586.94016935,
            "energy_per_atom": -5.8694016935,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -575.12816935,
            "band_gap": 2.7027,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0151567,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:16.245000Z",
            "spacegroup": 4
        },
        {
            "id": "mp-843",
            "created_at": "2022-09-04T14:46:07.162859Z",
            "structure_string": "Th2 Fe17\n1.0\n4.853246 -4.257751 0.000000\n4.853246 4.257751 0.000000\n1.117923 0.000000 6.358670\nTh Fe\n2 17\ndirect\n0.658663 0.658663 0.658663 Th\n0.341337 0.341337 0.341337 Th\n0.000000 0.000000 0.500000 Fe\n0.500000 0.000000 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.709884 0.290116 0.000000 Fe\n0.000000 0.709884 0.290116 Fe\n0.290116 0.000000 0.709884 Fe\n0.000000 0.290116 0.709884 Fe\n0.709884 0.000000 0.290116 Fe\n0.290116 0.709884 0.000000 Fe\n0.341711 0.341711 0.843656 Fe\n0.843656 0.341711 0.341711 Fe\n0.341711 0.843656 0.341711 Fe\n0.658289 0.658289 0.156344 Fe\n0.156344 0.658289 0.658289 Fe\n0.658289 0.156344 0.658289 Fe\n0.904442 0.904442 0.904442 Fe\n0.095558 0.095558 0.095558 Fe\n",
            "nsites": 19,
            "nelements": 2,
            "elements": [
                "Th",
                "Fe"
            ],
            "chemical_system": "Fe-Th",
            "density": 8.93136775118399,
            "density_atomic": 0.07230107484882684,
            "volume": 262.7900074753632,
            "volume_molar": 8.329254817568891,
            "formula_full": "Th2 Fe17",
            "formula_reduced": "Th2Fe17",
            "formula_anonymous": "A2B17",
            "energy": -159.15850366,
            "energy_per_atom": -8.376763350526316,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -159.15850366,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 38.2334279,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:21.603000Z",
            "spacegroup": 166
        },
        {
            "id": "mp-1035557",
            "created_at": "2022-09-04T14:46:07.164321Z",
            "structure_string": "Rb1 Mg14 Fe1 O16\n1.0\n8.744468 0.000000 0.000000\n0.000000 8.660956 0.000000\n0.000000 0.000000 4.378871\nRb Mg Fe O\n1 14 1 16\ndirect\n0.000000 0.500000 0.000000 Rb\n0.500000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Mg\n0.000000 0.244764 0.500000 Mg\n0.000000 0.755236 0.500000 Mg\n0.500000 0.249567 0.500000 Mg\n0.500000 0.750433 0.500000 Mg\n0.253549 0.000000 0.500000 Mg\n0.260175 0.500000 0.500000 Mg\n0.746451 0.000000 0.500000 Mg\n0.739825 0.500000 0.500000 Mg\n0.257261 0.249452 0.000000 Mg\n0.257261 0.750548 0.000000 Mg\n0.742739 0.249452 0.000000 Mg\n0.742739 0.750548 0.000000 Mg\n0.000000 0.000000 0.000000 Fe\n0.254897 0.000000 0.000000 O\n0.279660 0.500000 0.000000 O\n0.745103 0.000000 0.000000 O\n0.720340 0.500000 0.000000 O\n0.249109 0.249544 0.500000 O\n0.249109 0.750456 0.500000 O\n0.750891 0.249544 0.500000 O\n0.750891 0.750456 0.500000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.218991 0.000000 O\n0.000000 0.781009 0.000000 O\n0.500000 0.242622 0.000000 O\n0.500000 0.757378 0.000000 O\n",
            "nsites": 32,
            "nelements": 4,
            "elements": [
                "Rb",
                "Mg",
                "Fe",
                "O"
            ],
            "chemical_system": "Fe-Mg-O-Rb",
            "density": 3.6931151520093533,
            "density_atomic": 0.09649139874811047,
            "volume": 331.63577702439136,
            "volume_molar": 6.2411166571651835,
            "formula_full": "Rb1 Mg14 Fe1 O16",
            "formula_reduced": "RbMg14FeO16",
            "formula_anonymous": "ABC14D16",
            "energy": -197.4907676,
            "energy_per_atom": -6.1715864875,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -184.2427676,
            "band_gap": 7.3401,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 4.6903806,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:24.377000Z",
            "spacegroup": 47
        },
        {
            "id": "mp-9579",
            "created_at": "2022-09-04T14:46:07.165832Z",
            "structure_string": "Al2 Tl2 Se4\n1.0\n-4.131432 4.131432 3.217552\n4.131432 -4.131432 3.217552\n4.131432 4.131432 -3.217552\nAl Tl Se\n2 2 4\ndirect\n0.750000 0.250000 0.500000 Al\n0.250000 0.750000 0.500000 Al\n0.750000 0.750000 0.000000 Tl\n0.250000 0.250000 0.000000 Tl\n0.343126 0.156874 0.500000 Se\n0.843126 0.343126 0.186253 Se\n0.656874 0.843126 0.500000 Se\n0.156874 0.656874 0.813747 Se\n",
            "nsites": 8,
            "nelements": 3,
            "elements": [
                "Al",
                "Tl",
                "Se"
            ],
            "chemical_system": "Al-Se-Tl",
            "density": 5.885180658576794,
            "density_atomic": 0.0364169192549969,
            "volume": 219.678110165848,
            "volume_molar": 16.536656266369047,
            "formula_full": "Al2 Tl2 Se4",
            "formula_reduced": "AlTlSe2",
            "formula_anonymous": "ABC2",
            "energy": -34.04543601,
            "energy_per_atom": -4.25567950125,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -32.15743601,
            "band_gap": 0.5872999999999999,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0014672,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:22.295000Z",
            "spacegroup": 140
        },
        {
            "id": "mp-776147",
            "created_at": "2022-09-04T14:46:06.925169Z",
            "structure_string": "Li8 Ti4 Fe12 O32\n1.0\n8.412365 0.000000 0.000000\n-0.009181 8.430527 0.000000\n-0.005229 -0.001937 8.446963\nLi Ti Fe O\n8 4 12 32\ndirect\n0.996423 0.997651 0.002517 Li\n0.255495 0.748109 0.750325 Li\n0.753755 0.750288 0.249538 Li\n0.497385 0.501097 0.998409 Li\n0.003215 0.499965 0.498909 Li\n0.746825 0.248501 0.748605 Li\n0.245841 0.251547 0.250441 Li\n0.501910 0.002419 0.502889 Li\n0.377883 0.877752 0.130559 Ti\n0.874749 0.623069 0.872470 Ti\n0.627635 0.378036 0.374334 Ti\n0.122702 0.121794 0.630924 Ti\n0.623885 0.872871 0.876835 Fe\n0.868387 0.877565 0.623957 Fe\n0.119743 0.873768 0.373253 Fe\n0.620460 0.623990 0.627882 Fe\n0.370083 0.620461 0.373910 Fe\n0.125477 0.627661 0.122444 Fe\n0.374265 0.372550 0.622423 Fe\n0.128510 0.379562 0.872455 Fe\n0.878704 0.375819 0.127362 Fe\n0.380225 0.126039 0.872990 Fe\n0.631022 0.122991 0.123896 Fe\n0.875292 0.126432 0.376998 Fe\n0.396924 0.882405 0.886695 O\n0.610686 0.878706 0.108259 O\n0.881058 0.895618 0.386089 O\n0.851062 0.865444 0.868342 O\n0.117989 0.892745 0.614362 O\n0.630215 0.863540 0.647060 O\n0.367167 0.864642 0.357721 O\n0.140069 0.856108 0.128731 O\n0.639447 0.641384 0.870191 O\n0.866785 0.635223 0.642994 O\n0.131723 0.635700 0.352651 O\n0.617298 0.606306 0.383912 O\n0.356304 0.637930 0.131883 O\n0.381114 0.600727 0.614299 O\n0.110048 0.622648 0.890965 O\n0.895165 0.617451 0.112678 O\n0.605858 0.382394 0.612729 O\n0.389882 0.376767 0.393132 O\n0.119073 0.400025 0.113620 O\n0.143113 0.361960 0.631446 O\n0.882129 0.393868 0.883757 O\n0.368159 0.365408 0.850998 O\n0.633187 0.364502 0.143554 O\n0.860869 0.358368 0.371035 O\n0.359928 0.143625 0.628601 O\n0.133256 0.135394 0.858254 O\n0.869932 0.137018 0.146867 O\n0.383210 0.107500 0.114874 O\n0.648488 0.134390 0.368267 O\n0.618327 0.103822 0.886487 O\n0.890054 0.120972 0.609298 O\n0.101753 0.117469 0.385787 O\n",
            "nsites": 56,
            "nelements": 4,
            "elements": [
                "Li",
                "Ti",
                "Fe",
                "O"
            ],
            "chemical_system": "Fe-Li-O-Ti",
            "density": 3.961351670548814,
            "density_atomic": 0.09347911749525366,
            "volume": 599.0642776751007,
            "volume_molar": 6.442231079369968,
            "formula_full": "Li8 Ti4 Fe12 O32",
            "formula_reduced": "Li2TiFe3O8",
            "formula_anonymous": "AB2C3D8",
            "energy": -426.36771277,
            "energy_per_atom": -7.613709156607143,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -377.31171277,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 55.9998309,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:27.164000Z",
            "spacegroup": 4
        },
        {
            "id": "mp-755857",
            "created_at": "2022-09-04T14:46:07.108320Z",
            "structure_string": "Fe8 O14 F2\n1.0\n9.287661 0.000000 0.000000\n0.000000 5.530321 0.000000\n0.000000 2.300373 5.045901\nFe O F\n8 14 2\ndirect\n0.126987 0.997559 0.000326 Fe\n0.618443 0.011578 0.998991 Fe\n0.378505 0.500080 0.017747 Fe\n0.381557 0.011578 0.498991 Fe\n0.881382 0.487791 0.985690 Fe\n0.873013 0.997559 0.500326 Fe\n0.621495 0.500080 0.517747 Fe\n0.118618 0.487791 0.485690 Fe\n0.280898 0.160462 0.156279 O\n0.778445 0.154249 0.152574 O\n0.967896 0.343087 0.331325 O\n0.478683 0.356374 0.355619 O\n0.719102 0.160462 0.656279 O\n0.222911 0.651451 0.155871 O\n0.221555 0.154249 0.652574 O\n0.530995 0.845960 0.351898 O\n0.521317 0.356374 0.855619 O\n0.030356 0.837638 0.342538 O\n0.032104 0.343087 0.831325 O\n0.777089 0.651451 0.655871 O\n0.469005 0.845960 0.851898 O\n0.969644 0.837638 0.842538 O\n0.725342 0.653769 0.151143 F\n0.274658 0.653769 0.651143 F\n",
            "nsites": 24,
            "nelements": 3,
            "elements": [
                "Fe",
                "O",
                "F"
            ],
            "chemical_system": "F-Fe-O",
            "density": 4.5409400892235245,
            "density_atomic": 0.0926010307608574,
            "volume": 259.17638068176706,
            "volume_molar": 6.503319358887276,
            "formula_full": "Fe8 O14 F2",
            "formula_reduced": "Fe4O7F",
            "formula_anonymous": "AB4C7",
            "energy": -175.92668673,
            "energy_per_atom": -7.33027861375,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -147.33668673,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 14.7190276,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:25.804000Z",
            "spacegroup": 7
        }
    ]
}