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=elements&page=10415",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=elements&page=10413",
"results": [
{
"id": "mp-1218315",
"created_at": "2022-09-04T14:45:26.045475Z",
"structure_string": "Sr4 La4 Mn8 O20\n1.0\n5.531725 0.000000 0.000000\n0.000000 5.660801 0.000000\n0.000000 0.000000 16.382382\nSr La Mn O\n4 4 8 20\ndirect\n0.247914 0.988718 0.636986 Sr\n0.747914 0.511282 0.363014 Sr\n0.252086 0.011282 0.136986 Sr\n0.752086 0.488718 0.863014 Sr\n0.255888 0.019881 0.857985 La\n0.755888 0.480119 0.142015 La\n0.244112 0.980119 0.357985 La\n0.744112 0.519881 0.642015 La\n0.249880 0.501006 0.749710 Mn\n0.749880 0.998994 0.250290 Mn\n0.250120 0.498994 0.249710 Mn\n0.750120 0.001006 0.750290 Mn\n0.206320 0.443615 0.499887 Mn\n0.706320 0.056385 0.500113 Mn\n0.293680 0.556385 0.999887 Mn\n0.793680 0.943615 0.000113 Mn\n0.323007 0.090023 0.491649 O\n0.823007 0.409977 0.508351 O\n0.176993 0.909977 0.991649 O\n0.676993 0.590023 0.008351 O\n0.989977 0.750210 0.757673 O\n0.489977 0.749790 0.242327 O\n0.510023 0.249790 0.257673 O\n0.010023 0.250210 0.742327 O\n0.514074 0.253534 0.741652 O\n0.014074 0.246466 0.258348 O\n0.985926 0.746466 0.241652 O\n0.485926 0.753534 0.758348 O\n0.270431 0.531194 0.618612 O\n0.770431 0.968806 0.381388 O\n0.229569 0.468806 0.118612 O\n0.729569 0.031194 0.881388 O\n0.247581 0.442321 0.882212 O\n0.747581 0.057679 0.117788 O\n0.252419 0.557679 0.382212 O\n0.752419 0.942321 0.617788 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
"Sr",
"La",
"Mn",
"O"
],
"chemical_system": "La-Mn-O-Sr",
"density": 5.3914153343906435,
"density_atomic": 0.07017573702821837,
"volume": 512.9978183987442,
"volume_molar": 8.581514088805989,
"formula_full": "Sr4 La4 Mn8 O20",
"formula_reduced": "SrLaMn2O5",
"formula_anonymous": "ABC2D5",
"energy": -298.939678,
"energy_per_atom": -8.303879944444445,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -271.855678,
"band_gap": 0.1107000000000004,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 36.0021144,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:02.621000Z",
"spacegroup": 19
},
{
"id": "mp-1218579",
"created_at": "2022-09-04T14:45:10.585606Z",
"structure_string": "Sr4 La1 Mn5 O13\n1.0\n0.000008 3.873345 -0.000003\n-0.025107 -0.000007 8.843152\n8.900727 0.000019 -0.068337\nSr La Mn O\n4 1 5 13\ndirect\n0.500017 0.899308 0.321261 Sr\n0.500015 0.100710 0.678727 Sr\n0.499995 0.701644 0.884977 Sr\n0.499999 0.298329 0.115043 Sr\n0.500070 0.500001 0.500007 La\n0.000025 0.800418 0.605063 Mn\n0.999996 0.199608 0.394910 Mn\n0.000013 0.606323 0.196923 Mn\n0.000013 0.393656 0.803100 Mn\n0.999717 0.000009 0.000034 Mn\n0.000035 0.685254 0.413412 O\n0.000022 0.314738 0.586598 O\n0.500017 0.587041 0.164687 O\n0.500012 0.412936 0.835352 O\n0.000033 0.000014 0.500035 O\n0.999978 0.796440 0.078794 O\n0.999976 0.203618 0.921207 O\n0.999998 0.916645 0.801329 O\n0.999992 0.083267 0.198495 O\n0.000027 0.595949 0.713889 O\n0.000022 0.404061 0.286124 O\n0.500025 0.791235 0.599891 O\n0.500002 0.208796 0.400141 O\n",
"nsites": 23,
"nelements": 4,
"elements": [
"Sr",
"La",
"Mn",
"O"
],
"chemical_system": "La-Mn-O-Sr",
"density": 5.29463970286269,
"density_atomic": 0.07544293068420672,
"volume": 304.86620537416155,
"volume_molar": 7.982379137957693,
"formula_full": "Sr4 La1 Mn5 O13",
"formula_reduced": "Sr4LaMn5O13",
"formula_anonymous": "AB4C5D13",
"energy": -182.13037702000003,
"energy_per_atom": -7.918712044347827,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -164.85937702,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 20.0012618,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:52.153000Z",
"spacegroup": 10
},
{
"id": "mp-1282896",
"created_at": "2022-09-04T14:47:27.730487Z",
"structure_string": "Sr4 La2 Mn4 O14\n1.0\n3.982660 -0.000015 -0.000211\n1.990809 -1.925236 10.132313\n0.000036 -7.701346 -0.000082\nSr La Mn O\n4 2 4 14\ndirect\n0.316388 0.367251 0.158183 Sr\n0.316386 0.367262 0.658181 Sr\n0.683617 0.632746 0.841812 Sr\n0.683622 0.632736 0.341826 Sr\n0.500006 0.999993 0.249997 La\n0.500006 0.999990 0.750009 La\n0.097963 0.804307 0.048921 Mn\n0.902033 0.195680 0.951075 Mn\n0.097953 0.804288 0.548937 Mn\n0.902026 0.195704 0.451068 Mn\n0.999996 0.000008 0.500000 O\n0.000001 0.999998 0.999999 O\n0.193653 0.612549 0.096825 O\n0.193650 0.612552 0.596831 O\n0.806346 0.387459 0.903172 O\n0.806344 0.387462 0.403168 O\n0.591265 0.817306 0.045640 O\n0.591277 0.817290 0.545649 O\n0.091217 0.817334 0.795595 O\n0.091213 0.817333 0.295719 O\n0.408734 0.182701 0.954356 O\n0.408723 0.182726 0.454351 O\n0.908788 0.182662 0.204414 O\n0.908793 0.182663 0.704272 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Sr",
"La",
"Mn",
"O"
],
"chemical_system": "La-Mn-O-Sr",
"density": 5.7280141777665285,
"density_atomic": 0.07722490405692771,
"volume": 310.7805738717134,
"volume_molar": 7.798184838870983,
"formula_full": "Sr4 La2 Mn4 O14",
"formula_reduced": "Sr2LaMn2O7",
"formula_anonymous": "AB2C2D7",
"energy": -190.71052827,
"energy_per_atom": -7.94627201125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -174.42052827,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 14.0001281,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:14.502000Z",
"spacegroup": 71
},
{
"id": "mp-1218752",
"created_at": "2022-09-04T14:40:39.040657Z",
"structure_string": "Sr2 La1 Mn2 O7\n1.0\n-1.962930 1.962930 10.126000\n1.962930 -1.962930 10.126000\n1.962930 1.962930 -10.126000\nSr La Mn O\n2 1 2 7\ndirect\n0.318844 0.318844 0.000000 Sr\n0.495432 0.495432 0.000000 Sr\n0.683016 0.683016 0.000000 La\n0.901837 0.901837 0.000000 Mn\n0.095689 0.095689 0.000000 Mn\n0.798766 0.798766 0.000000 O\n0.196065 0.196065 0.000000 O\n0.902505 0.402505 0.500000 O\n0.402505 0.902505 0.500000 O\n0.102205 0.602205 0.500000 O\n0.602205 0.102205 0.500000 O\n0.000930 0.000930 0.000000 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Sr",
"La",
"Mn",
"O"
],
"chemical_system": "La-Mn-O-Sr",
"density": 5.703223792528452,
"density_atomic": 0.07689068087553691,
"volume": 156.0657268651896,
"volume_molar": 7.832081458282377,
"formula_full": "Sr2 La1 Mn2 O7",
"formula_reduced": "Sr2LaMn2O7",
"formula_anonymous": "AB2C2D7",
"energy": -95.28359255,
"energy_per_atom": -7.9402993791666665,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -87.13859255,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.9896731,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:03.497000Z",
"spacegroup": 107
},
{
"id": "mp-1218776",
"created_at": "2022-09-04T14:40:59.166813Z",
"structure_string": "Sr2 La2 Mn4 O11\n1.0\n-5.624160 -0.000067 0.000014\n0.000067 5.624143 0.000014\n-2.812028 2.812020 -7.738398\nSr La Mn O\n2 2 4 11\ndirect\n0.125001 0.624999 0.749993 Sr\n0.625006 0.125000 0.749994 Sr\n0.374996 0.875003 0.250002 La\n0.875001 0.375000 0.250004 La\n0.996013 0.996016 0.007971 Mn\n0.504230 0.504229 0.991534 Mn\n0.253983 0.253985 0.492027 Mn\n0.745774 0.745774 0.508459 Mn\n0.241486 0.759335 0.999181 O\n0.759335 0.241485 0.999181 O\n0.490663 0.008506 0.500824 O\n0.008507 0.490666 0.500823 O\n0.241466 0.241466 0.999175 O\n0.759363 0.759363 0.999174 O\n0.490639 0.490639 0.500829 O\n0.008527 0.008527 0.500831 O\n0.867112 0.867115 0.265787 O\n0.382882 0.382879 0.234232 O\n0.625015 0.625014 0.749980 O\n",
"nsites": 19,
"nelements": 4,
"elements": [
"Sr",
"La",
"Mn",
"O"
],
"chemical_system": "La-Mn-O-Sr",
"density": 5.758200962258694,
"density_atomic": 0.0776225187504755,
"volume": 244.77432974156883,
"volume_molar": 7.758239305991484,
"formula_full": "Sr2 La2 Mn4 O11",
"formula_reduced": "Sr2La2Mn4O11",
"formula_anonymous": "A2B2C4D11",
"energy": -156.32322692999998,
"energy_per_atom": -8.227538259473683,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -142.09422693,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 15.9987302,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:08.931000Z",
"spacegroup": 139
},
{
"id": "mp-1218274",
"created_at": "2022-09-04T14:43:17.071042Z",
"structure_string": "Sr1 La3 Mn1 O12\n1.0\n8.909350 -2.684796 0.000000\n8.909350 2.684796 0.000000\n8.100298 0.000000 4.579282\nSr La Mn O\n1 3 1 12\ndirect\n0.628263 0.628263 0.628263 Sr\n0.123797 0.123797 0.123797 La\n0.377566 0.377566 0.377566 La\n0.872400 0.872400 0.872400 La\n0.253460 0.253460 0.253460 Mn\n0.130737 0.622433 0.120275 O\n0.640896 0.113393 0.611607 O\n0.120275 0.130737 0.622433 O\n0.611607 0.640896 0.113393 O\n0.622433 0.120275 0.130737 O\n0.113393 0.611607 0.640896 O\n0.393756 0.337612 0.887572 O\n0.887517 0.866183 0.382535 O\n0.887572 0.393756 0.337612 O\n0.382535 0.887517 0.866183 O\n0.337612 0.887572 0.393756 O\n0.866183 0.382535 0.887517 O\n",
"nsites": 17,
"nelements": 4,
"elements": [
"Sr",
"La",
"Mn",
"O"
],
"chemical_system": "La-Mn-O-Sr",
"density": 5.694542785597967,
"density_atomic": 0.07760044724957388,
"volume": 219.0709023277356,
"volume_molar": 7.760445942575504,
"formula_full": "Sr1 La3 Mn1 O12",
"formula_reduced": "SrLa3MnO12",
"formula_anonymous": "ABC3D12",
"energy": -121.11939865,
"energy_per_atom": -7.124670508823529,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -111.20739865,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.0001404,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:03.071000Z",
"spacegroup": 146
},
{
"id": "mp-1650384",
"created_at": "2022-09-04T14:43:18.282806Z",
"structure_string": "Sr8 La2 Mn10 O30\n1.0\n3.859172 -0.000131 3.859220\n-3.857530 -3.933883 7.716932\n-0.005803 -11.784751 -3.853015\nSr La Mn O\n8 2 10 30\ndirect\n0.299597 0.301661 0.900781 Sr\n0.799165 0.801991 0.400295 Sr\n0.700121 0.699106 0.099372 Sr\n0.200681 0.198279 0.599606 Sr\n0.601311 0.598834 0.801493 Sr\n0.100892 0.099017 0.300836 Sr\n0.398962 0.400731 0.198593 Sr\n0.899722 0.900100 0.699471 Sr\n0.999622 0.000760 0.000129 La\n0.500165 0.499533 0.499947 La\n0.749741 0.250923 0.750369 Mn\n0.250768 0.748895 0.250449 Mn\n0.650156 0.149395 0.449704 Mn\n0.349799 0.850703 0.550275 Mn\n0.449654 0.948973 0.848224 Mn\n0.149981 0.650096 0.950072 Mn\n0.849901 0.352142 0.051869 Mn\n0.049732 0.550692 0.650162 Mn\n0.550575 0.049681 0.151024 Mn\n0.949937 0.449493 0.349351 Mn\n0.501944 0.001514 0.005432 O\n0.001481 0.500609 0.503592 O\n0.498961 0.499723 0.999056 O\n0.997914 0.001232 0.499319 O\n0.000521 0.499696 0.999064 O\n0.500269 0.001219 0.499333 O\n0.196456 0.704314 0.097022 O\n0.696322 0.204927 0.597601 O\n0.801140 0.293609 0.896128 O\n0.300797 0.793711 0.395459 O\n0.098884 0.604262 0.801898 O\n0.597718 0.103645 0.299144 O\n0.900837 0.396018 0.197671 O\n0.403542 0.898309 0.705309 O\n0.803961 0.805019 0.904763 O\n0.304488 0.304307 0.403627 O\n0.196143 0.194501 0.095683 O\n0.697913 0.694955 0.596885 O\n0.704849 0.194501 0.095654 O\n0.203915 0.694970 0.596898 O\n0.295968 0.805037 0.904771 O\n0.794868 0.304281 0.403602 O\n0.597695 0.598521 0.302951 O\n0.098509 0.098400 0.804595 O\n0.402014 0.400657 0.696016 O\n0.901415 0.901729 0.196406 O\n0.893143 0.400729 0.696007 O\n0.393077 0.901788 0.196401 O\n0.106889 0.598479 0.303015 O\n0.607882 0.098335 0.804683 O\n",
"nsites": 50,
"nelements": 4,
"elements": [
"Sr",
"La",
"Mn",
"O"
],
"chemical_system": "La-Mn-O-Sr",
"density": 5.701994735538412,
"density_atomic": 0.08549784365185482,
"volume": 584.8100708083213,
"volume_molar": 7.043617128546555,
"formula_full": "Sr8 La2 Mn10 O30",
"formula_reduced": "Sr4LaMn5O15",
"formula_anonymous": "AB4C5D15",
"energy": -392.39383194,
"energy_per_atom": -7.8478766388,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -355.10383194,
"band_gap": 0.3489,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 31.9984167,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:08.768000Z",
"spacegroup": 8
},
{
"id": "mp-1218501",
"created_at": "2022-09-04T14:42:07.765662Z",
"structure_string": "Sr4 La1 Mn5 O13\n1.0\n3.893920 0.000000 0.000000\n0.000000 8.795782 0.000000\n0.000000 0.093579 8.842713\nSr La Mn O\n4 1 5 13\ndirect\n0.500000 0.887698 0.284592 Sr\n0.500000 0.116793 0.717246 Sr\n0.500000 0.280335 0.117503 Sr\n0.500000 0.496172 0.497154 Sr\n0.500000 0.722039 0.883038 La\n0.000000 0.002628 0.000941 Mn\n0.000000 0.803300 0.592016 Mn\n0.000000 0.196309 0.405514 Mn\n0.000000 0.595907 0.193705 Mn\n0.000000 0.403121 0.806813 Mn\n0.000000 0.776277 0.060104 O\n0.000000 0.217823 0.927728 O\n0.000000 0.071157 0.225462 O\n0.000000 0.919610 0.778166 O\n0.500000 0.584816 0.152649 O\n0.500000 0.428262 0.839954 O\n0.500000 0.828393 0.585396 O\n0.500000 0.167287 0.423037 O\n0.000000 0.607982 0.725591 O\n0.000000 0.399493 0.286802 O\n0.000000 0.707918 0.397184 O\n0.000000 0.294480 0.602049 O\n0.500000 0.992199 0.997358 O\n",
"nsites": 23,
"nelements": 4,
"elements": [
"Sr",
"La",
"Mn",
"O"
],
"chemical_system": "La-Mn-O-Sr",
"density": 5.32964995048472,
"density_atomic": 0.07594178912081719,
"volume": 302.8635520215211,
"volume_molar": 7.929943223248621,
"formula_full": "Sr4 La1 Mn5 O13",
"formula_reduced": "Sr4LaMn5O13",
"formula_anonymous": "AB4C5D13",
"energy": -183.11771401,
"energy_per_atom": -7.961639739565217,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -165.84671401,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 20.0038513,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:31.257000Z",
"spacegroup": 6
},
{
"id": "mp-1218257",
"created_at": "2022-09-04T14:48:11.160749Z",
"structure_string": "Sr1 La3 Mn4 O12\n1.0\n2.788957 1.626638 4.496406\n-5.597598 -3.232348 4.501125\n2.789620 -4.848778 -0.011600\nSr La Mn O\n1 3 4 12\ndirect\n0.499957 0.250026 0.002929 Sr\n0.999929 0.750160 0.496736 La\n0.500114 0.749980 0.999825 La\n0.999986 0.249941 0.500739 La\n0.000012 0.499380 0.000228 Mn\n0.500240 0.000729 0.499742 Mn\n0.999888 0.000621 0.000268 Mn\n0.499715 0.499321 0.499849 Mn\n0.220639 0.532731 0.720115 O\n0.725621 0.022013 0.225925 O\n0.274392 0.477958 0.225550 O\n0.779582 0.967326 0.720335 O\n0.999896 0.750006 0.059712 O\n0.499912 0.249958 0.550908 O\n0.723401 0.537795 0.776477 O\n0.214546 0.025522 0.285897 O\n0.000098 0.249997 0.934866 O\n0.500118 0.750057 0.437461 O\n0.785214 0.474432 0.286110 O\n0.276741 0.962047 0.776329 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Sr",
"La",
"Mn",
"O"
],
"chemical_system": "La-Mn-O-Sr",
"density": 6.237550235371224,
"density_atomic": 0.08200888248140867,
"volume": 243.8760216557515,
"volume_molar": 7.343278651998719,
"formula_full": "Sr1 La3 Mn4 O12",
"formula_reduced": "SrLa3Mn4O12",
"formula_anonymous": "AB3C4D12",
"energy": -170.34040994000003,
"energy_per_atom": -8.517020497,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -155.42440994,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 15.0054817,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:27.938000Z",
"spacegroup": 3
},
{
"id": "mp-753578",
"created_at": "2022-09-04T14:48:08.462180Z",
"structure_string": "Sr2 La6 Mn2 O16\n1.0\n2.672629 -6.398601 0.000000\n2.672629 6.398601 0.000000\n0.000000 0.000000 10.886732\nSr La Mn O\n2 6 2 16\ndirect\n0.361887 0.638113 0.750000 Sr\n0.638113 0.361887 0.250000 Sr\n0.133942 0.866058 0.001838 La\n0.634606 0.365394 0.750000 La\n0.866058 0.133942 0.998162 La\n0.365394 0.634606 0.250000 La\n0.133942 0.866058 0.498162 La\n0.866058 0.133942 0.501838 La\n0.999354 0.000646 0.750000 Mn\n0.000646 0.999354 0.250000 Mn\n0.757005 0.752624 0.872304 O\n0.158810 0.841190 0.750000 O\n0.309639 0.690361 0.018620 O\n0.841255 0.158745 0.750000 O\n0.247376 0.242995 0.872304 O\n0.752624 0.757005 0.127696 O\n0.242995 0.247376 0.127696 O\n0.690361 0.309639 0.981380 O\n0.158745 0.841255 0.250000 O\n0.752624 0.757005 0.372304 O\n0.309639 0.690361 0.481380 O\n0.841190 0.158810 0.250000 O\n0.242995 0.247376 0.372304 O\n0.757005 0.752624 0.627696 O\n0.690361 0.309639 0.518620 O\n0.247376 0.242995 0.627696 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Sr",
"La",
"Mn",
"O"
],
"chemical_system": "La-Mn-O-Sr",
"density": 6.12992312894919,
"density_atomic": 0.0698267958975279,
"volume": 372.3498932724262,
"volume_molar": 8.624397958682799,
"formula_full": "Sr2 La6 Mn2 O16",
"formula_reduced": "SrLa3MnO8",
"formula_anonymous": "ABC3D8",
"energy": -211.29030651,
"energy_per_atom": -8.126550250384614,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -196.96230651,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.6533376,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:28.735000Z",
"spacegroup": 63
},
{
"id": "mp-39412",
"created_at": "2022-09-04T14:48:07.893354Z",
"structure_string": "Sr1 La1 Mn2 O6\n1.0\n-2.747305 2.747305 3.949063\n2.747305 -2.747305 3.949063\n2.747305 2.747305 -3.949063\nSr La Mn O\n1 1 2 6\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.000000 La\n0.250000 0.750000 0.500000 Mn\n0.750000 0.250000 0.500000 Mn\n0.500000 0.000000 0.500000 O\n0.957633 0.957633 0.429607 O\n0.471973 0.042367 0.000000 O\n0.000000 0.500000 0.500000 O\n0.042367 0.471973 0.000000 O\n0.528027 0.528027 0.570393 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Sr",
"La",
"Mn",
"O"
],
"chemical_system": "La-Mn-O-Sr",
"density": 6.02233523827077,
"density_atomic": 0.08387493438060609,
"volume": 119.22513053330319,
"volume_molar": 7.179905182009256,
"formula_full": "Sr1 La1 Mn2 O6",
"formula_reduced": "SrLaMn2O6",
"formula_anonymous": "ABC2D6",
"energy": -82.26097727999999,
"energy_per_atom": -8.226097728,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -74.80297728,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.0001213,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:25.806000Z",
"spacegroup": 121
},
{
"id": "mp-1275052",
"created_at": "2022-09-04T14:48:11.445530Z",
"structure_string": "Sr4 La2 Mn4 O14\n1.0\n3.925953 -0.000036 -0.000041\n1.962910 -1.923142 10.306955\n0.000069 -7.693927 -0.000270\nSr La Mn O\n4 2 4 14\ndirect\n0.682449 0.635166 0.839007 Sr\n0.682331 0.635384 0.343385 Sr\n0.504763 0.990554 0.752496 Sr\n0.504764 0.990492 0.252227 Sr\n0.315829 0.368217 0.158806 La\n0.316258 0.367466 0.657450 La\n0.098186 0.803609 0.048987 Mn\n0.904286 0.191452 0.952569 Mn\n0.097426 0.805120 0.548760 Mn\n0.904104 0.191762 0.451708 Mn\n0.200741 0.598427 0.099811 O\n0.206931 0.586260 0.604236 O\n0.805234 0.389911 0.905489 O\n0.803652 0.392941 0.398446 O\n0.998060 0.003842 0.999123 O\n0.994993 0.009853 0.497495 O\n0.597535 0.804865 0.048508 O\n0.597066 0.805822 0.548791 O\n0.097430 0.805089 0.800555 O\n0.097412 0.805063 0.296897 O\n0.397996 0.204034 0.951109 O\n0.397276 0.205390 0.446486 O\n0.897481 0.204925 0.198056 O\n0.897795 0.204359 0.699601 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Sr",
"La",
"Mn",
"O"
],
"chemical_system": "La-Mn-O-Sr",
"density": 5.717822953837171,
"density_atomic": 0.0770875063016599,
"volume": 311.33449700763265,
"volume_molar": 7.812084018432345,
"formula_full": "Sr4 La2 Mn4 O14",
"formula_reduced": "Sr2LaMn2O7",
"formula_anonymous": "AB2C2D7",
"energy": -190.22839747,
"energy_per_atom": -7.926183227916667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -173.93839747,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.5086775,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:40.986000Z",
"spacegroup": 8
}
]
}