HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formation_energy_per_atom&page=12146",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formation_energy_per_atom&page=12144",
"results": [
{
"id": "mp-1197445",
"created_at": "2022-09-04T14:42:44.160047Z",
"structure_string": "Ta4 N8 Cl20\n1.0\n7.099612 0.000000 0.000000\n0.000000 7.099612 0.000000\n0.000000 0.000000 18.638081\nTa N Cl\n4 8 20\ndirect\n0.500000 0.500000 0.385467 Ta\n0.000000 0.000000 0.885467 Ta\n0.500000 0.500000 0.614533 Ta\n0.000000 0.000000 0.114533 Ta\n0.500000 0.500000 0.500000 N\n0.000000 0.000000 0.000000 N\n0.500000 0.000000 0.250000 N\n0.000000 0.500000 0.750000 N\n0.000000 0.500000 0.250000 N\n0.500000 0.000000 0.750000 N\n0.500000 0.500000 0.000000 N\n0.000000 0.000000 0.500000 N\n0.765838 0.695214 0.398546 Cl\n0.234162 0.304786 0.398546 Cl\n0.734162 0.195214 0.898546 Cl\n0.265838 0.804786 0.898546 Cl\n0.695214 0.234162 0.398546 Cl\n0.304786 0.765838 0.398546 Cl\n0.195214 0.265838 0.898546 Cl\n0.804786 0.734162 0.898546 Cl\n0.234162 0.304786 0.601454 Cl\n0.765838 0.695214 0.601454 Cl\n0.265838 0.804786 0.101454 Cl\n0.734162 0.195214 0.101454 Cl\n0.304786 0.765838 0.601454 Cl\n0.695214 0.234162 0.601454 Cl\n0.804786 0.734162 0.101454 Cl\n0.195214 0.265838 0.101454 Cl\n0.500000 0.500000 0.261047 Cl\n0.000000 0.000000 0.761047 Cl\n0.500000 0.500000 0.738953 Cl\n0.000000 0.000000 0.238953 Cl\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Ta",
"N",
"Cl"
],
"chemical_system": "Cl-N-Ta",
"density": 2.7307408400474436,
"density_atomic": 0.034062737985678986,
"volume": 939.4429776447736,
"volume_molar": 17.679555773032373,
"formula_full": "Ta4 N8 Cl20",
"formula_reduced": "TaN2Cl5",
"formula_anonymous": "AB2C5",
"energy": -154.55012595,
"energy_per_atom": -4.8296914359375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -142.27012595,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 20.0218065,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:07.396000Z",
"spacegroup": 128
},
{
"id": "mp-1226054",
"created_at": "2022-09-04T14:42:44.168626Z",
"structure_string": "Co1 Ni1 Te4\n1.0\n1.927880 6.289215 0.000000\n-1.927880 6.289215 0.000000\n0.000000 3.546921 5.672521\nCo Ni Te\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.500000 Ni\n0.120854 0.120854 0.551800 Te\n0.620144 0.620144 0.041977 Te\n0.879146 0.879146 0.448200 Te\n0.379856 0.379856 0.958023 Te\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Co",
"Ni",
"Te"
],
"chemical_system": "Co-Ni-Te",
"density": 7.581315757161632,
"density_atomic": 0.04361829675516622,
"volume": 137.5569530758752,
"volume_molar": 13.806455565660592,
"formula_full": "Co1 Ni1 Te4",
"formula_reduced": "CoNiTe4",
"formula_anonymous": "ABC4",
"energy": -28.47225003,
"energy_per_atom": -4.7453750050000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.784250029999995,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0073339,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:57.921000Z",
"spacegroup": 12
},
{
"id": "mp-5295",
"created_at": "2022-09-04T14:42:47.342141Z",
"structure_string": "La2 Nb2 O8\n1.0\n-2.723944 2.723944 5.869075\n2.723944 -2.723944 5.869075\n2.723944 2.723944 -5.869075\nLa Nb O\n2 2 8\ndirect\n0.500000 0.500000 0.000000 La\n0.250000 0.750000 0.500000 La\n0.000000 0.000000 0.000000 Nb\n0.750000 0.250000 0.500000 Nb\n0.160772 0.075281 0.407739 O\n0.825281 0.917542 0.414509 O\n0.503034 0.410772 0.585491 O\n0.667542 0.753034 0.592261 O\n0.082458 0.496966 0.907739 O\n0.246966 0.839228 0.914509 O\n0.924719 0.332458 0.085491 O\n0.589228 0.174719 0.092261 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"La",
"Nb",
"O"
],
"chemical_system": "La-Nb-O",
"density": 5.6398186141835085,
"density_atomic": 0.0688898510183871,
"volume": 174.19111556500727,
"volume_molar": 8.741695142282504,
"formula_full": "La2 Nb2 O8",
"formula_reduced": "LaNbO4",
"formula_anonymous": "ABC4",
"energy": -112.35278645,
"energy_per_atom": -9.362732204166667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -106.85678645,
"band_gap": 3.9322,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0027178,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:54.737000Z",
"spacegroup": 88
},
{
"id": "mp-560152",
"created_at": "2022-09-04T14:42:47.344573Z",
"structure_string": "Si16 O32\n1.0\n11.593486 0.000000 0.000000\n0.000000 11.593486 0.000000\n0.000000 0.000000 5.192200\nSi O\n16 32\ndirect\n0.155652 0.075946 0.989295 Si\n0.597462 0.199906 0.723101 Si\n0.655652 0.424054 0.510705 Si\n0.575946 0.655652 0.489295 Si\n0.699906 0.097462 0.223101 Si\n0.924054 0.155652 0.010705 Si\n0.344348 0.575946 0.510705 Si\n0.402538 0.800094 0.723101 Si\n0.902538 0.699906 0.776899 Si\n0.800094 0.597462 0.276899 Si\n0.300094 0.902538 0.223101 Si\n0.097462 0.300094 0.776899 Si\n0.199906 0.402538 0.276899 Si\n0.424054 0.344348 0.489295 Si\n0.844348 0.924054 0.989295 Si\n0.075946 0.844348 0.010705 Si\n0.820099 0.816807 0.792488 O\n0.183193 0.820099 0.207512 O\n0.860304 0.608526 0.998771 O\n0.608526 0.139696 0.001229 O\n0.618969 0.544047 0.666002 O\n0.235420 0.538501 0.329622 O\n0.264580 0.038501 0.170378 O\n0.118969 0.955953 0.833998 O\n0.455953 0.618969 0.333998 O\n0.538501 0.764580 0.670378 O\n0.381031 0.455953 0.666002 O\n0.955953 0.881031 0.166002 O\n0.764580 0.461499 0.329622 O\n0.179901 0.183193 0.792488 O\n0.816807 0.179901 0.207512 O\n0.461499 0.235420 0.670378 O\n0.108526 0.360304 0.498771 O\n0.891474 0.639696 0.498771 O\n0.316807 0.320099 0.292488 O\n0.038501 0.735420 0.829622 O\n0.683193 0.679901 0.292488 O\n0.044047 0.118969 0.166002 O\n0.639696 0.108526 0.501229 O\n0.360304 0.891474 0.501229 O\n0.961499 0.264580 0.829622 O\n0.735420 0.961499 0.170378 O\n0.881031 0.044047 0.833998 O\n0.320099 0.683193 0.707512 O\n0.679901 0.316807 0.707512 O\n0.544047 0.381031 0.333998 O\n0.391474 0.860304 0.001229 O\n0.139696 0.391474 0.998771 O\n",
"nsites": 48,
"nelements": 2,
"elements": [
"Si",
"O"
],
"chemical_system": "O-Si",
"density": 2.287444624856954,
"density_atomic": 0.06877993177762456,
"volume": 697.8779821298881,
"volume_molar": 8.755665503522815,
"formula_full": "Si16 O32",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
"energy": -397.26170757,
"energy_per_atom": -8.276285574375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -375.27770757,
"band_gap": 5.5347,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:53.548000Z",
"spacegroup": 114
},
{
"id": "mp-1218656",
"created_at": "2022-09-04T14:42:47.441552Z",
"structure_string": "Ta6 Cu4 S12\n1.0\n-1.679046 -2.908177 -0.000091\n-3.358086 -0.000003 -0.000004\n-0.000053 -0.001189 -41.741845\nTa Cu S\n6 4 12\ndirect\n0.333338 0.333330 0.257243 Ta\n0.333282 0.333360 0.581037 Ta\n0.333339 0.333330 0.914376 Ta\n0.666715 0.666643 0.076052 Ta\n0.666680 0.666662 0.419675 Ta\n0.666683 0.666658 0.752868 Ta\n0.333371 0.333311 0.186736 Cu\n0.333348 0.333324 0.510061 Cu\n0.333322 0.333338 0.843364 Cu\n0.666646 0.666678 0.146591 Cu\n0.333339 0.333330 0.113669 S\n0.333315 0.333343 0.457111 S\n0.333323 0.333338 0.790345 S\n0.666711 0.666644 0.219660 S\n0.666659 0.666672 0.542631 S\n0.666699 0.666650 0.875961 S\n0.666643 0.666678 0.294033 S\n0.666587 0.666707 0.617588 S\n0.666644 0.666676 0.950912 S\n0.333407 0.333298 0.039281 S\n0.333375 0.333315 0.383480 S\n0.333373 0.333315 0.716658 S\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Ta",
"Cu",
"S"
],
"chemical_system": "Cu-S-Ta",
"density": 7.025323483664945,
"density_atomic": 0.05396828466049422,
"volume": 407.6468269910458,
"volume_molar": 11.158666238670206,
"formula_full": "Ta6 Cu4 S12",
"formula_reduced": "Ta3(CuS3)2",
"formula_anonymous": "A2B3C6",
"energy": -161.11697456,
"energy_per_atom": -7.323498843636363,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -155.08097456,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010879,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:48.958000Z",
"spacegroup": 156
},
{
"id": "mp-849485",
"created_at": "2022-09-04T14:42:47.447421Z",
"structure_string": "Mn12 O7 F17\n1.0\n4.815629 0.000000 0.000000\n0.378685 5.774151 0.000000\n0.340845 0.199427 15.904556\nMn O F\n12 7 17\ndirect\n0.005502 0.851239 0.417565 Mn\n0.981017 0.164466 0.238083 Mn\n0.004335 0.844967 0.078841 Mn\n0.953376 0.842118 0.755098 Mn\n0.962090 0.160758 0.580901 Mn\n0.002964 0.165608 0.908382 Mn\n0.497941 0.647363 0.587038 Mn\n0.504538 0.659274 0.919461 Mn\n0.486292 0.668578 0.260185 Mn\n0.505445 0.347968 0.083125 Mn\n0.494798 0.342471 0.419465 Mn\n0.545014 0.353046 0.751703 Mn\n0.771974 0.113732 0.128675 O\n0.776309 0.117054 0.469665 O\n0.768946 0.111648 0.804259 O\n0.709935 0.379171 0.643460 O\n0.721735 0.626306 0.813264 O\n0.293285 0.617036 0.027148 O\n0.276217 0.616170 0.370637 O\n0.785033 0.885057 0.306544 F\n0.752199 0.877375 0.637761 F\n0.782221 0.882936 0.971089 F\n0.740826 0.609400 0.147032 F\n0.726805 0.382336 0.312089 F\n0.745745 0.614543 0.475189 F\n0.741324 0.394245 0.975228 F\n0.284130 0.387854 0.193552 F\n0.269356 0.385003 0.528485 F\n0.298177 0.380737 0.856386 F\n0.241332 0.604772 0.702362 F\n0.231221 0.881930 0.185862 F\n0.226808 0.891578 0.529146 F\n0.237726 0.109190 0.352284 F\n0.247139 0.121879 0.019736 F\n0.237046 0.876911 0.860693 F\n0.191200 0.085278 0.689606 F\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.108592792011515,
"density_atomic": 0.08140288426467514,
"volume": 442.2447721010573,
"volume_molar": 7.397945188796355,
"formula_full": "Mn12 O7 F17",
"formula_reduced": "Mn12O7F17",
"formula_anonymous": "A7B12C17",
"energy": -269.00825205,
"energy_per_atom": -7.472451445833333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -236.32925205,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 53.0011001,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:48.836000Z",
"spacegroup": 1
},
{
"id": "mp-29453",
"created_at": "2022-09-04T14:42:47.501049Z",
"structure_string": "Sm4 Cl8\n1.0\n3.532258 0.000000 0.000000\n0.000000 8.635560 0.000000\n0.000000 0.000000 10.275591\nSm Cl\n4 8\ndirect\n0.750000 0.618108 0.324239 Sm\n0.250000 0.381892 0.675761 Sm\n0.750000 0.881892 0.824239 Sm\n0.250000 0.118108 0.175761 Sm\n0.750000 0.330013 0.456917 Cl\n0.250000 0.669987 0.543083 Cl\n0.750000 0.169987 0.956917 Cl\n0.250000 0.830013 0.043083 Cl\n0.250000 0.443888 0.163911 Cl\n0.750000 0.556112 0.836089 Cl\n0.250000 0.056112 0.663911 Cl\n0.750000 0.943888 0.336089 Cl\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Sm",
"Cl"
],
"chemical_system": "Cl-Sm",
"density": 4.688933144311104,
"density_atomic": 0.038285252256147505,
"volume": 313.4366183540856,
"volume_molar": 15.729661958889192,
"formula_full": "Sm4 Cl8",
"formula_reduced": "SmCl2",
"formula_anonymous": "AB2",
"energy": -61.12959948,
"energy_per_atom": -5.09413329,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -56.21759948,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.2822411,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:53.730000Z",
"spacegroup": 62
},
{
"id": "mp-989549",
"created_at": "2022-09-04T14:42:47.933945Z",
"structure_string": "Cs2 Pb1 Cl1 F6\n1.0\n0.000000 4.974689 4.974689\n4.974689 0.000000 4.974689\n4.974689 4.974689 0.000000\nCs Pb Cl F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Cs\n0.750000 0.750000 0.750000 Cs\n0.500000 0.500000 0.500000 Pb\n0.000000 0.000000 0.000000 Cl\n0.287326 0.712674 0.712674 F\n0.287326 0.712674 0.287326 F\n0.712674 0.287326 0.712674 F\n0.712674 0.712674 0.287326 F\n0.287326 0.287326 0.712674 F\n0.712674 0.287326 0.287326 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"Pb",
"Cl",
"F"
],
"chemical_system": "Cl-Cs-F-Pb",
"density": 4.197868047465062,
"density_atomic": 0.04061366649465336,
"volume": 246.22253697081163,
"volume_molar": 14.827867759225319,
"formula_full": "Cs2 Pb1 Cl1 F6",
"formula_reduced": "Cs2PbClF6",
"formula_anonymous": "ABC2D6",
"energy": -41.53189575,
"energy_per_atom": -4.153189575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.75989575,
"band_gap": 0.0989999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9998342,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:53.530000Z",
"spacegroup": 225
},
{
"id": "mp-778115",
"created_at": "2022-09-04T14:42:44.163308Z",
"structure_string": "Li8 Bi4 B4 O16\n1.0\n5.025227 0.000000 0.000000\n0.000000 7.188281 0.000000\n0.000000 0.253378 11.116930\nLi Bi B O\n8 4 4 16\ndirect\n0.347958 0.085051 0.799472 Li\n0.152042 0.085051 0.299472 Li\n0.219484 0.187658 0.572247 Li\n0.280516 0.187658 0.072247 Li\n0.719484 0.812342 0.927753 Li\n0.780516 0.812342 0.427753 Li\n0.847958 0.914949 0.700528 Li\n0.652042 0.914949 0.200528 Li\n0.234993 0.503069 0.868193 Bi\n0.734993 0.496931 0.631807 Bi\n0.265007 0.503069 0.368193 Bi\n0.765007 0.496931 0.131807 Bi\n0.792978 0.173602 0.917767 B\n0.707022 0.173602 0.417767 B\n0.292978 0.826398 0.582233 B\n0.207022 0.826398 0.082233 B\n0.718067 0.044470 0.835407 O\n0.781933 0.044470 0.335407 O\n0.066264 0.225871 0.922940 O\n0.433736 0.225871 0.422940 O\n0.885814 0.249975 0.496979 O\n0.350054 0.384980 0.689884 O\n0.614186 0.249975 0.996979 O\n0.149946 0.384980 0.189884 O\n0.850054 0.615020 0.810116 O\n0.385814 0.750025 0.003021 O\n0.649946 0.615020 0.310116 O\n0.114186 0.750025 0.503021 O\n0.566264 0.774129 0.577060 O\n0.933736 0.774129 0.077060 O\n0.218067 0.955530 0.664593 O\n0.281933 0.955530 0.164593 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"Bi",
"B",
"O"
],
"chemical_system": "B-Bi-Li-O",
"density": 4.923568831219342,
"density_atomic": 0.079686431136115,
"volume": 401.57401384107357,
"volume_molar": 7.557297615341042,
"formula_full": "Li8 Bi4 B4 O16",
"formula_reduced": "Li2BiBO4",
"formula_anonymous": "ABC2D4",
"energy": -208.92290594,
"energy_per_atom": -6.528840810625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -197.93090594,
"band_gap": 2.3147,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005225,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:55.209000Z",
"spacegroup": 14
},
{
"id": "mp-12984",
"created_at": "2022-09-04T14:42:44.171406Z",
"structure_string": "Tb4 Cu4 Se8\n1.0\n7.341689 0.000000 0.000000\n0.000000 6.618937 0.000000\n0.000000 0.751280 7.061380\nTb Cu Se\n4 4 8\ndirect\n0.541911 0.803994 0.298939 Tb\n0.041911 0.196006 0.201061 Tb\n0.458089 0.196006 0.701061 Tb\n0.958089 0.803994 0.798939 Tb\n0.341153 0.574257 0.955030 Cu\n0.658847 0.425743 0.044970 Cu\n0.158847 0.574257 0.455030 Cu\n0.841153 0.425743 0.544970 Cu\n0.775673 0.071359 0.502729 Se\n0.724327 0.071359 0.002729 Se\n0.275673 0.928641 0.997271 Se\n0.224327 0.928641 0.497271 Se\n0.387984 0.400114 0.282255 Se\n0.887984 0.599886 0.217745 Se\n0.612016 0.599886 0.717745 Se\n0.112016 0.400114 0.782255 Se\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Tb",
"Cu",
"Se"
],
"chemical_system": "Cu-Se-Tb",
"density": 7.363188307314185,
"density_atomic": 0.046627933515686795,
"volume": 343.14194933423767,
"volume_molar": 12.915306997197298,
"formula_full": "Tb4 Cu4 Se8",
"formula_reduced": "TbCuSe2",
"formula_anonymous": "ABC2",
"energy": -86.16556224,
"energy_per_atom": -5.38534764,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -82.38956224,
"band_gap": 0.8242000000000003,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0013144,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:52.809000Z",
"spacegroup": 14
},
{
"id": "mp-1206690",
"created_at": "2022-09-04T14:42:44.173862Z",
"structure_string": "Rb2 Na1 Sm1 F6\n1.0\n-4.561369 -4.561369 0.000000\n-4.561369 0.000000 -4.561369\n0.000000 -4.561369 -4.561369\nRb Na Sm F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Sm\n0.753941 0.753941 0.246059 F\n0.246059 0.246059 0.753941 F\n0.753941 0.246059 0.753941 F\n0.246059 0.753941 0.246059 F\n0.246059 0.753941 0.753941 F\n0.753941 0.246059 0.246059 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Na",
"Sm",
"F"
],
"chemical_system": "F-Na-Rb-Sm",
"density": 4.009224679424278,
"density_atomic": 0.052684684579090015,
"volume": 189.8084819125764,
"volume_molar": 11.430533955194495,
"formula_full": "Rb2 Na1 Sm1 F6",
"formula_reduced": "Rb2NaSmF6",
"formula_anonymous": "ABC2D6",
"energy": -54.89313319,
"energy_per_atom": -5.489313319,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -52.12113319,
"band_gap": 6.3067,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0004655,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:53.951000Z",
"spacegroup": 225
},
{
"id": "mp-647240",
"created_at": "2022-09-04T14:42:44.181526Z",
"structure_string": "Np4 In2 Rh4\n1.0\n7.742339 0.000000 0.000000\n0.000000 7.742339 0.000000\n0.000000 0.000000 3.388954\nNp In Rh\n4 2 4\ndirect\n0.663100 0.836900 0.500000 Np\n0.336900 0.163100 0.500000 Np\n0.836900 0.336900 0.500000 Np\n0.163100 0.663100 0.500000 Np\n0.500000 0.500000 0.000000 In\n0.000000 0.000000 0.000000 In\n0.858222 0.641778 0.000000 Rh\n0.641778 0.141778 0.000000 Rh\n0.141778 0.358222 0.000000 Rh\n0.358222 0.858222 0.000000 Rh\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Np",
"In",
"Rh"
],
"chemical_system": "In-Np-Rh",
"density": 12.990727221845555,
"density_atomic": 0.049225480023855774,
"volume": 203.1468254886245,
"volume_molar": 12.233787780396526,
"formula_full": "Np4 In2 Rh4",
"formula_reduced": "Np2InRh2",
"formula_anonymous": "AB2C2",
"energy": -89.39719768,
"energy_per_atom": -8.939719768,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -89.39719768,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.8482691,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:07.602000Z",
"spacegroup": 127
}
]
}