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{
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"results": [
{
"id": "mp-1017514",
"created_at": "2022-09-04T14:40:25.173746Z",
"structure_string": "Mg1 Si1 N2\n1.0\n4.965017 -1.425763 0.000000\n4.965017 1.425763 0.000000\n4.555593 0.000000 2.435317\nMg Si N\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Si\n0.763337 0.763337 0.763337 N\n0.236663 0.236663 0.236663 N\n",
"nsites": 4,
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"elements": [
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"Si",
"N"
],
"chemical_system": "Mg-N-Si",
"density": 3.8723324553577414,
"density_atomic": 0.11601293531154351,
"volume": 34.47891383196467,
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"formula_full": "Mg1 Si1 N2",
"formula_reduced": "MgSiN2",
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},
{
"id": "mp-1246296",
"created_at": "2022-09-04T14:40:53.440823Z",
"structure_string": "Mg16 Si40 N64\n1.0\n10.486666 0.000000 0.000000\n0.000000 9.596850 0.000000\n0.000000 0.000000 13.393963\nMg Si N\n16 40 64\ndirect\n0.098525 0.126912 0.007118 Mg\n0.598525 0.373088 0.992882 Mg\n0.901475 0.626912 0.492882 Mg\n0.401475 0.873088 0.507118 Mg\n0.901475 0.873088 0.992882 Mg\n0.401475 0.626912 0.007118 Mg\n0.098525 0.373088 0.507118 Mg\n0.598525 0.126912 0.492882 Mg\n0.373805 0.064339 0.077852 Mg\n0.873805 0.435661 0.922148 Mg\n0.626195 0.564339 0.422148 Mg\n0.126195 0.935661 0.577852 Mg\n0.626195 0.935661 0.922148 Mg\n0.126195 0.564339 0.077852 Mg\n0.373805 0.435661 0.577852 Mg\n0.873805 0.064339 0.422148 Mg\n0.406082 0.215729 0.852907 Si\n0.906082 0.284271 0.147093 Si\n0.593918 0.715729 0.647093 Si\n0.093918 0.784271 0.352907 Si\n0.593918 0.784271 0.147093 Si\n0.093918 0.715729 0.852907 Si\n0.406082 0.284271 0.352907 Si\n0.906082 0.215729 0.647093 Si\n0.170992 0.227777 0.723887 Si\n0.670992 0.272223 0.276113 Si\n0.829008 0.727777 0.776113 Si\n0.329008 0.772223 0.223887 Si\n0.829008 0.772223 0.276113 Si\n0.329008 0.727777 0.723887 Si\n0.170992 0.272223 0.223887 Si\n0.670992 0.227777 0.776113 Si\n0.254712 0.961432 0.848181 Si\n0.754712 0.538568 0.151819 Si\n0.745288 0.461432 0.651819 Si\n0.245288 0.038568 0.348181 Si\n0.745288 0.038568 0.151819 Si\n0.245288 0.461432 0.848181 Si\n0.254712 0.538568 0.348181 Si\n0.754712 0.961432 0.651819 Si\n0.985876 0.990130 0.783515 Si\n0.485876 0.509870 0.216485 Si\n0.014124 0.490130 0.716485 Si\n0.514124 0.009870 0.283515 Si\n0.014124 0.009870 0.216485 Si\n0.514124 0.490130 0.783515 Si\n0.985876 0.509870 0.283515 Si\n0.485876 0.990130 0.716485 Si\n0.835902 0.157819 0.954784 Si\n0.335902 0.342181 0.045216 Si\n0.164098 0.657819 0.545216 Si\n0.664098 0.842181 0.454784 Si\n0.164098 0.842181 0.045216 Si\n0.664098 0.657819 0.954784 Si\n0.835902 0.342181 0.454784 Si\n0.335902 0.157819 0.545216 Si\n0.935103 0.272447 0.022126 N\n0.435103 0.227553 0.977874 N\n0.064897 0.772447 0.477874 N\n0.564897 0.727553 0.522126 N\n0.064897 0.727553 0.977874 N\n0.564897 0.772447 0.022126 N\n0.935103 0.227553 0.522126 N\n0.435103 0.272447 0.477874 N\n0.945705 0.050917 0.897122 N\n0.445705 0.449083 0.102878 N\n0.054295 0.550917 0.602878 N\n0.554295 0.949083 0.397122 N\n0.054295 0.949083 0.102878 N\n0.554295 0.550917 0.897122 N\n0.945705 0.449083 0.397122 N\n0.445705 0.050917 0.602878 N\n0.740030 0.271802 0.888026 N\n0.240030 0.228198 0.111974 N\n0.259970 0.771802 0.611974 N\n0.759970 0.728198 0.388026 N\n0.259970 0.728198 0.111974 N\n0.759970 0.771802 0.888026 N\n0.740030 0.228198 0.388026 N\n0.240030 0.271802 0.611974 N\n0.255230 0.959096 0.975539 N\n0.755230 0.540904 0.024461 N\n0.744770 0.459096 0.524461 N\n0.244770 0.040904 0.475539 N\n0.744770 0.040904 0.024461 N\n0.244770 0.459096 0.975539 N\n0.255230 0.540904 0.475539 N\n0.755230 0.959096 0.524461 N\n0.036839 0.117937 0.696285 N\n0.536839 0.382063 0.303715 N\n0.963161 0.617937 0.803715 N\n0.463161 0.882063 0.196285 N\n0.963161 0.882063 0.303715 N\n0.463161 0.617937 0.696285 N\n0.036839 0.382063 0.196285 N\n0.536839 0.117937 0.803715 N\n0.380796 0.881488 0.783337 N\n0.880796 0.618512 0.216663 N\n0.619204 0.381488 0.716663 N\n0.119204 0.118512 0.283337 N\n0.619204 0.118512 0.216663 N\n0.119204 0.381488 0.783337 N\n0.380796 0.618512 0.283337 N\n0.880796 0.881488 0.716663 N\n0.263078 0.136647 0.812401 N\n0.763078 0.363353 0.187599 N\n0.736922 0.636647 0.687599 N\n0.236922 0.863353 0.312401 N\n0.736922 0.863353 0.187599 N\n0.236922 0.636647 0.812401 N\n0.263078 0.363353 0.312401 N\n0.763078 0.136647 0.687599 N\n0.116764 0.881643 0.800742 N\n0.616764 0.618357 0.199258 N\n0.883236 0.381643 0.699258 N\n0.383236 0.118357 0.300742 N\n0.883236 0.118357 0.199258 N\n0.383236 0.381643 0.800742 N\n0.116764 0.618357 0.300742 N\n0.616764 0.881643 0.699258 N\n",
"nsites": 120,
"nelements": 3,
"elements": [
"Mg",
"Si",
"N"
],
"chemical_system": "Mg-N-Si",
"density": 2.9673021082944806,
"density_atomic": 0.08902377542761697,
"volume": 1347.954514662985,
"volume_molar": 6.764643187814983,
"formula_full": "Mg16 Si40 N64",
"formula_reduced": "Mg2Si5N8",
"formula_anonymous": "A2B5C8",
"energy": -925.15751751,
"energy_per_atom": -7.70964597925,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -902.05351751,
"band_gap": 3.264499999999999,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0019625,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:02.157000Z",
"spacegroup": 61
},
{
"id": "mp-1020587",
"created_at": "2022-09-04T14:39:09.366210Z",
"structure_string": "Sr8 Mg24 Si8 N32\n1.0\n-5.816198 5.816198 6.807923\n5.816198 -5.816198 6.807923\n5.816198 5.816198 -6.807923\nSr Mg Si N\n8 24 8 32\ndirect\n0.562455 0.044699 0.998248 Sr\n0.046451 0.564207 0.001752 Sr\n0.314207 0.812455 0.017756 Sr\n0.794699 0.296451 0.982244 Sr\n0.187545 0.205301 0.501752 Sr\n0.703549 0.685793 0.498248 Sr\n0.435793 0.437545 0.482244 Sr\n0.955301 0.953549 0.517756 Sr\n0.838621 0.159035 0.371926 Mg\n0.787109 0.466695 0.628074 Mg\n0.216695 0.088621 0.179586 Mg\n0.909035 0.037109 0.820414 Mg\n0.911379 0.090965 0.128074 Mg\n0.962891 0.783305 0.871926 Mg\n0.533305 0.161379 0.320414 Mg\n0.840965 0.212891 0.679586 Mg\n0.587568 0.951505 0.648231 Mg\n0.303274 0.939338 0.351769 Mg\n0.689338 0.837568 0.136064 Mg\n0.701505 0.553274 0.863936 Mg\n0.162432 0.298495 0.851769 Mg\n0.446726 0.310662 0.148231 Mg\n0.060662 0.412432 0.363936 Mg\n0.048495 0.696726 0.636064 Mg\n0.292540 0.974310 0.637121 Mg\n0.337189 0.655420 0.362879 Mg\n0.405420 0.542540 0.818231 Mg\n0.724310 0.587189 0.181769 Mg\n0.457460 0.275690 0.862879 Mg\n0.412811 0.594580 0.137121 Mg\n0.344580 0.707460 0.681769 Mg\n0.025690 0.662811 0.318231 Mg\n0.755500 0.397349 0.288705 Si\n0.108645 0.466796 0.711295 Si\n0.216796 0.005500 0.858151 Si\n0.147349 0.358645 0.141849 Si\n0.994500 0.852651 0.211295 Si\n0.641355 0.783204 0.788705 Si\n0.533204 0.244500 0.641849 Si\n0.602651 0.891355 0.358151 Si\n0.615287 0.359773 0.096126 N\n0.263646 0.519161 0.903874 N\n0.269161 0.865287 0.755515 N\n0.109773 0.513646 0.244485 N\n0.134713 0.890227 0.403874 N\n0.486354 0.730839 0.596126 N\n0.480839 0.384713 0.744485 N\n0.640227 0.736354 0.255515 N\n0.752072 0.978251 0.880960 N\n0.097292 0.871112 0.119040 N\n0.621112 0.002072 0.273820 N\n0.728251 0.347292 0.726180 N\n0.997928 0.271749 0.619040 N\n0.652708 0.378888 0.380960 N\n0.128888 0.247928 0.226180 N\n0.021749 0.902708 0.773820 N\n0.833700 0.264423 0.243490 N\n0.020933 0.590210 0.756510 N\n0.340210 0.083700 0.069277 N\n0.014423 0.270933 0.930723 N\n0.916300 0.985577 0.256510 N\n0.729067 0.659790 0.743490 N\n0.409790 0.166300 0.430723 N\n0.735577 0.979067 0.569277 N\n0.503683 0.113377 0.701799 N\n0.411579 0.801884 0.298201 N\n0.551884 0.753683 0.890306 N\n0.863377 0.661579 0.109694 N\n0.246317 0.136622 0.798201 N\n0.338421 0.448116 0.201799 N\n0.198116 0.496317 0.609694 N\n0.886622 0.588421 0.390306 N\n",
"nsites": 72,
"nelements": 4,
"elements": [
"Sr",
"Mg",
"Si",
"N"
],
"chemical_system": "Mg-N-Si-Sr",
"density": 3.5279832920067244,
"density_atomic": 0.07815909185043676,
"volume": 921.1980115861294,
"volume_molar": 7.704977907783031,
"formula_full": "Sr8 Mg24 Si8 N32",
"formula_reduced": "SrMg3SiN4",
"formula_anonymous": "ABC3D4",
"energy": -444.54142179,
"energy_per_atom": -6.17418641375,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:34:23.597000Z",
"spacegroup": 88
},
{
"id": "mp-1247112",
"created_at": "2022-09-04T14:41:05.075922Z",
"structure_string": "Mg14 Sn2 N12\n1.0\n0.000000 -5.613369 0.000000\n-5.326544 -2.806684 -6.105241\n5.326545 -2.806685 -6.105241\nMg Sn N\n14 2 12\ndirect\n0.257552 0.970359 0.029641 Mg\n0.742448 0.029641 0.970359 Mg\n0.242448 0.470359 0.529641 Mg\n0.757552 0.529641 0.470359 Mg\n0.628125 0.141927 0.637910 Mg\n0.592038 0.637910 0.141927 Mg\n0.871875 0.862090 0.358073 Mg\n0.907962 0.358073 0.862090 Mg\n0.371875 0.858073 0.362090 Mg\n0.407962 0.362090 0.858073 Mg\n0.128125 0.137910 0.641927 Mg\n0.092038 0.641927 0.137910 Mg\n0.250000 0.250000 0.250000 Mg\n0.750000 0.750000 0.750000 Mg\n0.750000 0.250000 0.250000 Sn\n0.250000 0.750000 0.750000 Sn\n0.078883 0.050673 0.271462 N\n0.598981 0.271462 0.050673 N\n0.421117 0.228538 0.449327 N\n0.901019 0.449327 0.228538 N\n0.921117 0.949327 0.728538 N\n0.401019 0.728538 0.949327 N\n0.578883 0.771462 0.550673 N\n0.098981 0.550673 0.771462 N\n0.775085 0.338419 0.661581 N\n0.224915 0.661581 0.338419 N\n0.724915 0.838419 0.161581 N\n0.275085 0.161581 0.838419 N\n",
"nsites": 28,
"nelements": 3,
"elements": [
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"Sn",
"N"
],
"chemical_system": "Mg-N-Sn",
"density": 3.3919721685988686,
"density_atomic": 0.07669306103999177,
"volume": 365.09169956587516,
"volume_molar": 7.8522628753333255,
"formula_full": "Mg14 Sn2 N12",
"formula_reduced": "Mg7SnN6",
"formula_anonymous": "AB6C7",
"energy": -148.56859957999998,
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"energy_uncorrected": -144.23659958,
"band_gap": 1.008,
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"updated_at": "2021-11-28T01:35:11.903000Z",
"spacegroup": 72
},
{
"id": "mp-1389170",
"created_at": "2022-09-04T14:42:53.640056Z",
"structure_string": "Mg1 Sn2 N2\n1.0\n3.360549 0.000000 0.000000\n0.000000 3.360549 0.000000\n0.000000 0.000000 8.188394\nMg Sn N\n1 2 2\ndirect\n0.500000 0.500000 0.000000 Mg\n0.000000 0.000000 0.692137 Sn\n0.000000 0.000000 0.307863 Sn\n0.000000 0.500000 0.152698 N\n0.500000 0.000000 0.847302 N\n",
"nsites": 5,
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"elements": [
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],
"chemical_system": "Mg-N-Sn",
"density": 5.202785954831287,
"density_atomic": 0.05406930764954293,
"volume": 92.47390464860645,
"volume_molar": 11.137817408414527,
"formula_full": "Mg1 Sn2 N2",
"formula_reduced": "Mg(SnN)2",
"formula_anonymous": "AB2C2",
"energy": -27.20276138,
"energy_per_atom": -5.440552276,
"energy_above_hull": null,
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"energy_uncorrected": -26.48076138,
"band_gap": 0.2005000000000008,
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"total_magnetization": 0.0002704,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:54.639000Z",
"spacegroup": 115
},
{
"id": "mp-1246115",
"created_at": "2022-09-04T14:44:22.127270Z",
"structure_string": "Mg8 Sn2 N8\n1.0\n5.586503 -0.002537 -0.171005\n2.077730 5.235019 0.076655\n1.292667 2.467468 8.003183\nMg Sn N\n8 2 8\ndirect\n0.723522 0.614688 0.217759 Mg\n0.276477 0.385312 0.782241 Mg\n0.752139 0.244961 0.998924 Mg\n0.247861 0.755039 0.001076 Mg\n0.736193 0.486749 0.573334 Mg\n0.263807 0.513251 0.426666 Mg\n0.259760 0.929126 0.580223 Mg\n0.740240 0.070874 0.419777 Mg\n0.729344 0.833630 0.783712 Sn\n0.270656 0.166370 0.216288 Sn\n0.996270 0.697121 0.602184 N\n0.003730 0.302879 0.397816 N\n0.846422 0.841427 0.999631 N\n0.153578 0.158573 0.000369 N\n0.495696 0.605667 0.804016 N\n0.504304 0.394333 0.195984 N\n0.490020 0.801697 0.384626 N\n0.509980 0.198303 0.615374 N\n",
"nsites": 18,
"nelements": 3,
"elements": [
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"Sn",
"N"
],
"chemical_system": "Mg-N-Sn",
"density": 3.8709933540288977,
"density_atomic": 0.0771464445100777,
"volume": 233.32248315926793,
"volume_molar": 7.806115755876894,
"formula_full": "Mg8 Sn2 N8",
"formula_reduced": "Mg4SnN4",
"formula_anonymous": "AB4C4",
"energy": -99.63027279,
"energy_per_atom": -5.535015155,
"energy_above_hull": null,
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"formation_energy": null,
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"energy_uncorrected": -96.74227279000002,
"band_gap": 0.6562000000000001,
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"total_magnetization": 0.000334,
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"updated_at": "2021-11-28T01:36:36.777000Z",
"spacegroup": 2
},
{
"id": "mp-1029791",
"created_at": "2022-09-04T14:41:25.628894Z",
"structure_string": "Mg4 Sn4 N8\n1.0\n5.534733 0.000000 0.000000\n0.000000 5.966133 0.000000\n0.000000 0.000000 6.939890\nMg Sn N\n4 4 8\ndirect\n0.993279 0.583325 0.875390 Mg\n0.493279 0.416675 0.124610 Mg\n0.493279 0.916675 0.375390 Mg\n0.993279 0.083325 0.624610 Mg\n0.995880 0.583420 0.374371 Sn\n0.495880 0.416580 0.625629 Sn\n0.495880 0.916580 0.874371 Sn\n0.995880 0.083420 0.125629 Sn\n0.375312 0.579163 0.377262 N\n0.875312 0.420837 0.622738 N\n0.875312 0.920837 0.877262 N\n0.375312 0.079163 0.122738 N\n0.376530 0.584671 0.873130 N\n0.876530 0.415329 0.126870 N\n0.876530 0.915329 0.373130 N\n0.376530 0.084671 0.626870 N\n",
"nsites": 16,
"nelements": 3,
"elements": [
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"Sn",
"N"
],
"chemical_system": "Mg-N-Sn",
"density": 4.957185026610056,
"density_atomic": 0.06981966974824444,
"volume": 229.16178288572195,
"volume_molar": 8.625278208439854,
"formula_full": "Mg4 Sn4 N8",
"formula_reduced": "MgSnN2",
"formula_anonymous": "ABC2",
"energy": -97.67061097,
"energy_per_atom": -6.104413185625,
"energy_above_hull": null,
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"energy_uncorrected": -94.78261097,
"band_gap": 1.2315000000000005,
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"updated_at": "2021-11-28T01:35:24.821000Z",
"spacegroup": 33
},
{
"id": "mp-1410915",
"created_at": "2022-09-04T14:47:12.962767Z",
"structure_string": "Mg4 Sn2 N4\n1.0\n2.117889 5.137073 0.000000\n-2.117889 5.137073 0.000000\n0.000000 2.038763 6.403979\nMg Sn N\n4 2 4\ndirect\n0.660727 0.667160 0.958976 Mg\n0.332840 0.339273 0.041024 Mg\n0.996438 0.005163 0.792579 Mg\n0.994837 0.003562 0.207421 Mg\n0.346744 0.303465 0.578029 Sn\n0.696535 0.653256 0.421971 Sn\n0.162515 0.173238 0.910628 N\n0.826762 0.837485 0.089372 N\n0.505884 0.518679 0.272874 N\n0.481321 0.494116 0.727126 N\n",
"nsites": 10,
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"elements": [
"Mg",
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