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{
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"results": [
{
"id": "mp-1218754",
"created_at": "2022-09-04T14:42:42.012484Z",
"structure_string": "Sr4 La4 Mn2 Cu2 O16\n1.0\n-3.861172 3.860874 -0.000190\n-3.861178 -3.860880 -0.000189\n-3.860557 -0.000009 12.863979\nSr La Mn Cu O\n4 4 2 2 16\ndirect\n0.178390 0.178599 0.643243 Sr\n0.678390 0.678585 0.643252 Sr\n0.321419 0.321618 0.356749 Sr\n0.821408 0.821615 0.356756 Sr\n0.429931 0.930034 0.140311 La\n0.929890 0.429975 0.140311 La\n0.069978 0.570059 0.859689 La\n0.570015 0.070120 0.859689 La\n0.249952 0.750049 0.500000 Mn\n0.749936 0.250078 0.499997 Mn\n0.499915 0.500066 0.000000 Cu\n0.999962 0.000016 0.000000 Cu\n0.342759 0.842228 0.314360 O\n0.842752 0.342220 0.314357 O\n0.157781 0.657246 0.685640 O\n0.657782 0.157251 0.685645 O\n0.079427 0.079571 0.840876 O\n0.579473 0.579635 0.840772 O\n0.420372 0.420533 0.159229 O\n0.920424 0.920571 0.159124 O\n0.249797 0.249765 0.000000 O\n0.750210 0.750178 0.000001 O\n0.750225 0.249774 0.000000 O\n0.249811 0.750188 0.000000 O\n0.499934 0.000067 0.500004 O\n0.999939 0.500073 0.499995 O\n0.000066 0.999941 0.500000 O\n0.500060 0.499945 0.500000 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
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"La",
"Mn",
"Cu",
"O"
],
"chemical_system": "Cu-La-Mn-O-Sr",
"density": 6.057150799311439,
"density_atomic": 0.07300302648533737,
"volume": 383.54574252649365,
"volume_molar": 8.249165890690225,
"formula_full": "Sr4 La4 Mn2 Cu2 O16",
"formula_reduced": "Sr2La2MnCuO8",
"formula_anonymous": "ABC2D2E8",
"energy": -211.47763546,
"energy_per_atom": -7.552772695,
"energy_above_hull": null,
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"energy_uncorrected": -197.14963546,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 0.0001394,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:51.508000Z",
"spacegroup": 123
},
{
"id": "mp-1173270",
"created_at": "2022-09-04T14:45:18.390919Z",
"structure_string": "Sr4 La4 Mn2 Cu2 O16\n1.0\n3.625759 -0.120535 -1.370946\n-1.703771 14.193614 -5.787692\n0.559478 0.753016 6.931233\nSr La Mn Cu O\n4 4 2 2 16\ndirect\n0.358828 0.340486 0.715762 Sr\n0.353155 0.589764 0.711650 Sr\n0.646845 0.160236 0.288350 Sr\n0.641172 0.409514 0.284238 Sr\n0.364740 0.088715 0.726984 La\n0.351361 0.837033 0.717826 La\n0.635260 0.661285 0.273016 La\n0.648639 0.912967 0.282174 La\n0.003198 0.249781 0.004346 Mn\n0.996802 0.500219 0.995654 Mn\n0.001437 0.999518 0.001409 Cu\n0.998563 0.750482 0.998591 Cu\n0.000354 0.123079 0.997003 O\n0.000000 0.375000 0.000000 O\n0.999646 0.626921 0.002997 O\n0.000000 0.875000 0.000000 O\n0.183409 0.034537 0.365506 O\n0.160145 0.288131 0.315919 O\n0.155624 0.547389 0.316151 O\n0.167738 0.796279 0.359054 O\n0.500772 0.996502 0.994134 O\n0.499759 0.246806 0.995227 O\n0.500241 0.503194 0.004773 O\n0.499228 0.753498 0.005866 O\n0.844376 0.202611 0.683849 O\n0.839855 0.461869 0.684081 O\n0.816591 0.715463 0.634494 O\n0.832262 0.953721 0.640946 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Sr",
"La",
"Mn",
"Cu",
"O"
],
"chemical_system": "Cu-La-Mn-O-Sr",
"density": 6.04819355588341,
"density_atomic": 0.07289507046758618,
"volume": 384.1137654493467,
"volume_molar": 8.261382726391394,
"formula_full": "Sr4 La4 Mn2 Cu2 O16",
"formula_reduced": "Sr2La2MnCuO8",
"formula_anonymous": "ABC2D2E8",
"energy": -212.29605489,
"energy_per_atom": -7.582001960357142,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -197.96805489,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.9024157,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:54.666000Z",
"spacegroup": 12
},
{
"id": "mp-1173272",
"created_at": "2022-09-04T14:42:22.754451Z",
"structure_string": "Sr4 La4 Mn2 Zn2 O16\n1.0\n3.646234 -0.106325 -1.384387\n-1.682734 14.448005 -5.574130\n0.545288 0.577110 6.875279\nSr La Mn Zn O\n4 4 2 2 16\ndirect\n0.360169 0.590739 0.715194 Sr\n0.356488 0.837576 0.712658 Sr\n0.643255 0.412504 0.287360 Sr\n0.639605 0.659081 0.284558 Sr\n0.356038 0.088397 0.722005 La\n0.364308 0.339655 0.723807 La\n0.643752 0.161549 0.277961 La\n0.635677 0.910450 0.276477 La\n0.001688 0.501989 0.001716 Mn\n0.998240 0.747957 0.998133 Mn\n0.992758 0.996854 0.990358 Zn\n0.007378 0.253154 0.010051 Zn\n0.172233 0.043364 0.360928 O\n0.183306 0.287147 0.359687 O\n0.161918 0.540068 0.314985 O\n0.158829 0.795723 0.317957 O\n0.502225 0.000193 0.009596 O\n0.497671 0.249818 0.990329 O\n0.497724 0.498575 0.992988 O\n0.502573 0.751472 0.007227 O\n0.827801 0.206440 0.638778 O\n0.841105 0.454525 0.682225 O\n0.838381 0.709743 0.684789 O\n0.816749 0.962861 0.640321 O\n0.999976 0.125075 0.000081 O\n0.997450 0.379549 0.995885 O\n0.000353 0.625061 0.000327 O\n0.002353 0.870482 0.003617 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Sr",
"La",
"Mn",
"Zn",
"O"
],
"chemical_system": "La-Mn-O-Sr-Zn",
"density": 6.0461189089864344,
"density_atomic": 0.0726765128005561,
"volume": 385.26889803917163,
"volume_molar": 8.286226908721355,
"formula_full": "Sr4 La4 Mn2 Zn2 O16",
"formula_reduced": "Sr2La2MnZnO8",
"formula_anonymous": "ABC2D2E8",
"energy": -209.21179342,
"energy_per_atom": -7.471849765,
"energy_above_hull": null,
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"decomposes_to": null,
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"formation_energy_per_atom": null,
"energy_uncorrected": -194.88379342,
"band_gap": 0.5179,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.429777,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:46.828000Z",
"spacegroup": 12
},
{
"id": "mp-1303430",
"created_at": "2022-09-04T14:40:05.398225Z",
"structure_string": "Sr4 La4 Mn2 Zn2 O16\n1.0\n-3.857793 3.905260 -0.000150\n-3.857793 -3.905259 -0.000164\n-3.857259 0.000026 12.685361\nSr La Mn Zn O\n4 4 2 2 16\ndirect\n0.181139 0.181155 0.637528 Sr\n0.681141 0.681120 0.637531 Sr\n0.318841 0.318830 0.362471 Sr\n0.818826 0.818837 0.362473 Sr\n0.427922 0.927896 0.145602 La\n0.928519 0.428542 0.144596 La\n0.072101 0.572143 0.854400 La\n0.571515 0.071478 0.855410 La\n0.250028 0.750055 0.499964 Mn\n0.750014 0.250025 0.499999 Mn\n0.500023 0.499982 0.000001 Zn\n0.000014 0.000048 0.000001 Zn\n0.333004 0.833006 0.333247 O\n0.830875 0.330879 0.337464 O\n0.166918 0.666933 0.666753 O\n0.669129 0.169121 0.662541 O\n0.087249 0.087089 0.825720 O\n0.587129 0.587275 0.825728 O\n0.412791 0.412917 0.174277 O\n0.912898 0.912766 0.174284 O\n0.990715 0.009241 0.499999 O\n0.509249 0.490707 0.500000 O\n0.499994 0.000000 0.500016 O\n0.999890 0.499893 0.499983 O\n0.750013 0.250033 0.000001 O\n0.250026 0.750000 0.000004 O\n0.250038 0.250026 0.000003 O\n0.749998 0.750003 0.000005 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Sr",
"La",
"Mn",
"Zn",
"O"
],
"chemical_system": "La-Mn-O-Sr-Zn",
"density": 6.09415668240232,
"density_atomic": 0.07325394402662425,
"volume": 382.2319790702786,
"volume_molar": 8.220909931909256,
"formula_full": "Sr4 La4 Mn2 Zn2 O16",
"formula_reduced": "Sr2La2MnZnO8",
"formula_anonymous": "ABC2D2E8",
"energy": -207.77678077,
"energy_per_atom": -7.420599313214285,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -193.44878077,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.727678,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:46.840000Z",
"spacegroup": 69
},
{
"id": "mp-684865",
"created_at": "2022-09-04T14:43:12.436783Z",
"structure_string": "Sr4 La4 Mn4 Fe4 O24\n1.0\n11.069629 0.000000 0.000000\n0.000000 5.534504 0.000000\n0.000000 0.061017 7.843016\nSr La Mn Fe O\n4 4 4 4 24\ndirect\n0.379012 0.750000 0.500000 Sr\n0.618779 0.250000 0.000000 Sr\n0.381221 0.750000 0.000000 Sr\n0.620988 0.250000 0.500000 Sr\n0.873483 0.750000 0.500000 La\n0.131285 0.250000 0.000000 La\n0.868715 0.750000 0.000000 La\n0.126517 0.250000 0.500000 La\n0.376634 0.252337 0.750880 Mn\n0.623366 0.747663 0.249120 Mn\n0.376634 0.247663 0.249120 Mn\n0.623366 0.752337 0.750880 Mn\n0.872558 0.247992 0.749183 Fe\n0.127442 0.752008 0.250817 Fe\n0.872558 0.252008 0.250817 Fe\n0.127442 0.747992 0.749183 Fe\n0.508861 0.017109 0.266934 O\n0.385613 0.250000 0.000000 O\n0.508861 0.482891 0.733066 O\n0.762086 0.530539 0.768074 O\n0.491139 0.517109 0.266934 O\n0.649506 0.750000 0.500000 O\n0.614387 0.750000 0.000000 O\n0.762086 0.969461 0.231926 O\n0.491139 0.982891 0.733066 O\n0.011866 0.027707 0.274140 O\n0.743252 0.005883 0.771010 O\n0.899722 0.250000 0.000000 O\n0.856637 0.250000 0.500000 O\n0.011866 0.472293 0.725860 O\n0.743252 0.494117 0.228990 O\n0.256748 0.505883 0.771010 O\n0.988134 0.527707 0.274140 O\n0.143363 0.750000 0.500000 O\n0.100278 0.750000 0.000000 O\n0.256748 0.994117 0.228990 O\n0.988134 0.972293 0.725860 O\n0.237914 0.030539 0.768074 O\n0.350494 0.250000 0.500000 O\n0.237914 0.469461 0.231926 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
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"La",
"Mn",
"Fe",
"O"
],
"chemical_system": "Fe-La-Mn-O-Sr",
"density": 5.989738077512933,
"density_atomic": 0.0832463343527503,
"volume": 480.50163783191823,
"volume_molar": 7.234121246085882,
"formula_full": "Sr4 La4 Mn4 Fe4 O24",
"formula_reduced": "SrLaMnFeO6",
"formula_anonymous": "ABCDE6",
"energy": -322.23552467,
"energy_per_atom": -8.055888116750001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -290.05152467,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 31.9996781,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:02.643000Z",
"spacegroup": 13
},
{
"id": "mp-1218213",
"created_at": "2022-09-04T14:48:20.641888Z",
"structure_string": "Sr4 La4 Mn4 Nb4 O24\n1.0\n-5.724955 5.868652 0.000541\n-5.724909 -5.868607 0.000542\n-5.718699 0.000022 8.149893\nSr La Mn Nb O\n4 4 4 4 24\ndirect\n0.398509 0.858341 0.251120 Sr\n0.898504 0.358350 0.251110 Sr\n0.108351 0.148516 0.751108 Sr\n0.608351 0.648513 0.751108 Sr\n0.091706 0.642757 0.754145 La\n0.591703 0.142754 0.754141 La\n0.392750 0.341712 0.254133 La\n0.892748 0.841699 0.254152 La\n0.501442 0.996097 0.501287 Mn\n0.746093 0.751444 0.001290 Mn\n0.001454 0.496081 0.501311 Mn\n0.246085 0.251441 0.001324 Mn\n0.750278 0.248029 0.000860 Nb\n0.250281 0.748036 0.000859 Nb\n0.498033 0.500273 0.500861 Nb\n0.998026 0.000276 0.500864 Nb\n0.261659 0.988713 0.451242 O\n0.761661 0.488716 0.451240 O\n0.738717 0.511660 0.951241 O\n0.238715 0.011661 0.951243 O\n0.237282 0.528878 0.551629 O\n0.737285 0.028878 0.551626 O\n0.778877 0.987280 0.051628 O\n0.278876 0.487278 0.051627 O\n0.574557 0.764558 0.450243 O\n0.074563 0.264558 0.450243 O\n0.014555 0.324557 0.950241 O\n0.514557 0.824560 0.950242 O\n0.941069 0.740846 0.539428 O\n0.441073 0.240841 0.539432 O\n0.490840 0.191069 0.039433 O\n0.990838 0.691071 0.039436 O\n0.935890 0.902117 0.739281 O\n0.435893 0.402120 0.739281 O\n0.152125 0.685892 0.239281 O\n0.652122 0.185891 0.239280 O\n0.554859 0.582407 0.260756 O\n0.054860 0.082407 0.260760 O\n0.332408 0.804862 0.760757 O\n0.832405 0.304857 0.760760 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
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"La",
"Mn",
"Nb",
"O"
],
"chemical_system": "La-Mn-Nb-O-Sr",
"density": 5.70538794896429,
"density_atomic": 0.07304658028472101,
"volume": 547.595792220361,
"volume_molar": 8.244247350836815,
"formula_full": "Sr4 La4 Mn4 Nb4 O24",
"formula_reduced": "SrLaMnNbO6",
"formula_anonymous": "ABCDE6",
"energy": -350.44374216999995,
"energy_per_atom": -8.76109355425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -327.28374217,
"band_gap": 1.8725,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:02.913000Z",
"spacegroup": 7
},
{
"id": "mp-1218175",
"created_at": "2022-09-04T14:46:01.415874Z",
"structure_string": "Sr4 La4 Mn4 O16 F4\n1.0\n3.810288 3.810223 0.000003\n-3.810301 3.810236 -0.000019\n0.000041 -0.000031 14.000416\nSr La Mn O F\n4 4 4 16 4\ndirect\n0.750034 0.999992 0.904278 Sr\n0.249983 0.499985 0.904281 Sr\n0.249991 0.000001 0.095719 Sr\n0.749997 0.499979 0.095721 Sr\n0.749995 0.999994 0.622553 La\n0.250022 0.500032 0.622555 La\n0.249979 0.000027 0.377455 La\n0.749999 0.499984 0.377439 La\n0.749999 0.500005 0.776187 Mn\n0.249983 0.500007 0.223821 Mn\n0.249997 0.000015 0.776175 Mn\n0.749989 0.999982 0.223792 Mn\n0.250027 0.000010 0.916936 O\n0.749993 0.500001 0.916936 O\n0.749993 0.999996 0.083075 O\n0.249997 0.499988 0.083068 O\n0.249999 0.999982 0.641836 O\n0.750014 0.499991 0.641834 O\n0.750000 0.000001 0.358173 O\n0.250005 0.500007 0.358167 O\n0.500015 0.750018 0.769511 O\n0.999987 0.249986 0.769504 O\n0.499990 0.250011 0.769503 O\n0.000024 0.749980 0.769513 O\n0.500001 0.249996 0.230497 O\n0.000009 0.750008 0.230495 O\n0.500008 0.750002 0.230498 O\n0.999994 0.250002 0.230487 O\n0.500008 0.749990 0.500002 F\n0.999993 0.250013 0.499997 F\n0.500003 0.250012 0.499997 F\n0.999973 0.750000 0.499999 F\n",
"nsites": 32,
"nelements": 5,
"elements": [
"Sr",
"La",
"Mn",
"O",
"F"
],
"chemical_system": "F-La-Mn-O-Sr",
"density": 5.95494521838493,
"density_atomic": 0.07871715028919438,
"volume": 406.51878126224153,
"volume_molar": 7.650354132327715,
"formula_full": "Sr4 La4 Mn4 O16 F4",
"formula_reduced": "SrLaMnO4F",
"formula_anonymous": "ABCDE4",
"energy": -248.31774925,
"energy_per_atom": -7.7599296640625,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -228.80574925,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 2.13e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:19.141000Z",
"spacegroup": 129
},
{
"id": "mp-727395",
"created_at": "2022-09-04T14:40:34.261195Z",
"structure_string": "Sr4 La4 Mn4 Sb4 O24\n1.0\n-0.039860 -0.000013 8.147130\n5.727320 5.857476 0.032402\n-5.726022 5.856209 -0.032415\nSr La Mn Sb O\n4 4 4 4 24\ndirect\n0.249317 0.023568 0.014649 Sr\n0.249317 0.523567 0.514647 Sr\n0.749317 0.485346 0.976424 Sr\n0.749318 0.985347 0.476422 Sr\n0.247564 0.518855 0.032316 La\n0.247564 0.018855 0.532312 La\n0.747571 0.967698 0.981167 La\n0.747574 0.467702 0.481162 La\n0.499538 0.246441 0.247689 Mn\n0.999532 0.752319 0.253554 Mn\n0.499540 0.746440 0.747688 Mn\n0.999532 0.252320 0.753554 Mn\n0.499861 0.251159 0.751639 Sb\n0.499862 0.751159 0.251639 Sb\n0.999860 0.748365 0.748837 Sb\n0.999860 0.248365 0.248837 Sb\n0.760036 0.305105 0.227488 O\n0.760037 0.805106 0.727488 O\n0.260042 0.772508 0.194894 O\n0.260044 0.272508 0.694893 O\n0.048322 0.487918 0.283400 O\n0.048323 0.987917 0.783401 O\n0.548283 0.716606 0.012048 O\n0.548283 0.216607 0.512048 O\n0.459602 0.509832 0.286190 O\n0.459602 0.009833 0.786190 O\n0.959624 0.713828 0.990211 O\n0.959623 0.213828 0.490211 O\n0.047831 0.296289 0.010448 O\n0.047829 0.796289 0.510448 O\n0.547858 0.489530 0.703685 O\n0.547858 0.989532 0.203684 O\n0.449220 0.300198 0.987413 O\n0.449220 0.800199 0.487414 O\n0.949190 0.512609 0.699767 O\n0.949191 0.012607 0.199768 O\n0.738706 0.213925 0.812106 O\n0.738707 0.713926 0.312105 O\n0.238722 0.687896 0.786082 O\n0.238722 0.187897 0.286081 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"Sr",
"La",
"Mn",
"Sb",
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}