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{
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"results": [
{
"id": "mp-1017466",
"created_at": "2022-09-04T14:44:03.880680Z",
"structure_string": "Sr4 Mn4 O12\n1.0\n3.903091 -0.000115 -0.000006\n0.000103 -3.842793 7.722427\n0.000230 -7.685468 0.000059\nSr Mn O\n4 4 12\ndirect\n0.500000 0.750089 0.374952 Sr\n0.500000 0.249911 0.125046 Sr\n0.500000 0.750089 0.874959 Sr\n0.500000 0.249911 0.625043 Sr\n0.000001 0.999537 0.500231 Mn\n0.000001 0.500464 0.249769 Mn\n0.999999 0.500466 0.749767 Mn\n0.000000 0.999532 0.000234 Mn\n0.500000 0.500112 0.749944 O\n0.499999 0.999896 0.500052 O\n0.500001 0.500104 0.249947 O\n0.499999 0.999888 0.000057 O\n0.000000 0.499827 0.500093 O\n0.000000 0.000173 0.249917 O\n0.000000 0.499827 0.000080 O\n0.000000 0.000173 0.749909 O\n0.000000 0.749998 0.625001 O\n0.000000 0.249996 0.375002 O\n0.000000 0.750006 0.124997 O\n0.000000 0.249999 0.875000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
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],
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"density": 5.463879681651756,
"density_atomic": 0.08633737653148515,
"volume": 231.64938296111515,
"volume_molar": 6.975125955794905,
"formula_full": "Sr4 Mn4 O12",
"formula_reduced": "SrMnO3",
"formula_anonymous": "ABC3",
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"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 1.22e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:35.078000Z",
"spacegroup": 221
},
{
"id": "mp-559975",
"created_at": "2022-09-04T14:48:02.833079Z",
"structure_string": "Sr4 Mn4 O12\n1.0\n2.775628 -4.786469 0.000000\n2.775628 4.786469 0.000000\n0.000000 0.000000 9.289115\nSr Mn O\n4 4 12\ndirect\n0.661352 0.338648 0.250000 Sr\n0.019921 0.019921 0.000000 Sr\n0.338648 0.661352 0.750000 Sr\n0.980079 0.980079 0.500000 Sr\n0.686103 0.350836 0.887842 Mn\n0.649164 0.313897 0.612158 Mn\n0.313897 0.649164 0.387842 Mn\n0.350836 0.686103 0.112158 Mn\n0.634624 0.817628 0.267330 O\n0.820074 0.179926 0.750000 O\n0.182372 0.365376 0.232670 O\n0.179926 0.820074 0.250000 O\n0.365376 0.182372 0.767330 O\n0.947896 0.446200 0.478671 O\n0.052104 0.553800 0.978671 O\n0.445849 0.445849 0.500000 O\n0.554151 0.554151 0.000000 O\n0.817628 0.634624 0.732670 O\n0.446200 0.947896 0.521329 O\n0.553800 0.052104 0.021329 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
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"Mn",
"O"
],
"chemical_system": "Mn-O-Sr",
"density": 5.1280402987673455,
"density_atomic": 0.0810306177916171,
"volume": 246.82028281498637,
"volume_molar": 7.431932427674285,
"formula_full": "Sr4 Mn4 O12",
"formula_reduced": "SrMnO3",
"formula_anonymous": "ABC3",
"energy": -152.77899313,
"energy_per_atom": -7.6389496565,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -137.86299313,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:18.944000Z",
"spacegroup": 20
},
{
"id": "mp-19001",
"created_at": "2022-09-04T14:48:03.800481Z",
"structure_string": "Sr4 Mn4 O12\n1.0\n-2.761875 4.783716 0.000000\n0.000000 0.000000 9.249444\n5.523755 0.000003 0.000000\nSr Mn O\n4 4 12\ndirect\n0.333333 0.750002 0.666667 Sr\n0.666667 0.250002 0.333333 Sr\n0.000000 0.500002 0.000000 Sr\n0.000000 0.000002 0.000000 Sr\n0.333333 0.113080 0.666664 Mn\n0.666665 0.613085 0.333336 Mn\n0.666670 0.886905 0.333335 Mn\n0.333332 0.386904 0.666666 Mn\n0.181079 0.250002 0.818921 O\n0.818921 0.750002 0.637841 O\n0.362159 0.750002 0.181079 O\n0.637842 0.250002 0.818921 O\n0.181079 0.250002 0.362158 O\n0.818921 0.750002 0.181079 O\n0.000003 0.500001 0.500001 O\n0.500002 0.000001 0.499998 O\n0.999997 0.000001 0.499998 O\n0.499998 0.500001 0.500001 O\n0.499999 0.500001 0.999997 O\n0.500002 0.000001 0.000003 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Sr",
"Mn",
"O"
],
"chemical_system": "Mn-O-Sr",
"density": 5.178651850442768,
"density_atomic": 0.0818303551299991,
"volume": 244.408080207243,
"volume_molar": 7.359299309446936,
"formula_full": "Sr4 Mn4 O12",
"formula_reduced": "SrMnO3",
"formula_anonymous": "ABC3",
"energy": -152.71772011,
"energy_per_atom": -7.6358860055,
"energy_above_hull": null,
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"energy_uncorrected": -137.80172011,
"band_gap": 0.9027000000000004,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5e-07,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:26.747000Z",
"spacegroup": 194
},
{
"id": "mp-1208769",
"created_at": "2022-09-04T14:39:13.404823Z",
"structure_string": "Sr4 Mn4 P8 O28\n1.0\n8.524768 0.000000 0.000000\n0.000000 5.450372 0.000000\n0.000000 5.424681 12.910115\nSr Mn P O\n4 4 8 28\ndirect\n0.329899 0.436614 0.776008 Sr\n0.670101 0.563386 0.223992 Sr\n0.829899 0.563386 0.723992 Sr\n0.170101 0.436614 0.276008 Sr\n0.645674 0.926594 0.896002 Mn\n0.354326 0.073406 0.103998 Mn\n0.145674 0.073406 0.603998 Mn\n0.854326 0.926594 0.396002 Mn\n0.296118 0.704905 0.979823 P\n0.703882 0.295095 0.020177 P\n0.796118 0.295095 0.520177 P\n0.203882 0.704905 0.479823 P\n0.033462 0.909132 0.838135 P\n0.966538 0.090868 0.161865 P\n0.533462 0.090868 0.661865 P\n0.466538 0.909132 0.338135 P\n0.117956 0.789850 0.768245 O\n0.882044 0.210150 0.231755 O\n0.617956 0.210150 0.731755 O\n0.382044 0.789850 0.268245 O\n0.362316 0.182044 0.649066 O\n0.637684 0.817956 0.350934 O\n0.862316 0.817956 0.850934 O\n0.137684 0.182044 0.149066 O\n0.332693 0.441712 0.968357 O\n0.667307 0.558288 0.031643 O\n0.832693 0.558288 0.531643 O\n0.167307 0.441712 0.468357 O\n0.185907 0.695147 0.590523 O\n0.814093 0.304853 0.409477 O\n0.685907 0.304853 0.909477 O\n0.314093 0.695147 0.090523 O\n0.111789 0.775081 0.952785 O\n0.888211 0.224919 0.047215 O\n0.611789 0.224919 0.547215 O\n0.388211 0.775081 0.452785 O\n0.053120 0.210441 0.799638 O\n0.946880 0.789559 0.200362 O\n0.553120 0.789559 0.700362 O\n0.446880 0.210441 0.299638 O\n0.391254 0.937884 0.902056 O\n0.608746 0.062116 0.097944 O\n0.891254 0.062116 0.597944 O\n0.108746 0.937884 0.402056 O\n",
"nsites": 44,
"nelements": 4,
"elements": [
"Sr",
"Mn",
"P",
"O"
],
"chemical_system": "Mn-O-P-Sr",
"density": 3.5046597217423856,
"density_atomic": 0.07335231963651184,
"volume": 599.8446977278488,
"volume_molar": 8.209884554219904,
"formula_full": "Sr4 Mn4 P8 O28",
"formula_reduced": "SrMnP2O7",
"formula_anonymous": "ABC2D7",
"energy": -353.72683937,
"energy_per_atom": -8.039246349318182,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -327.81883937,
"band_gap": 3.933100000000001,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 20.0041612,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:24.798000Z",
"spacegroup": 14
},
{
"id": "mp-1208681",
"created_at": "2022-09-04T14:48:08.684190Z",
"structure_string": "Sr4 Mn4 Sb8\n1.0\n4.451070 0.000000 0.000000\n0.000000 4.515819 0.000000\n0.000000 0.000000 22.626019\nSr Mn Sb\n4 4 8\ndirect\n0.250000 0.725031 0.118859 Sr\n0.750000 0.274969 0.881141 Sr\n0.750000 0.225031 0.381141 Sr\n0.250000 0.774969 0.618859 Sr\n0.250000 0.223421 0.250058 Mn\n0.750000 0.776579 0.749942 Mn\n0.750000 0.723421 0.249942 Mn\n0.250000 0.276579 0.750058 Mn\n0.250000 0.725536 0.319157 Sb\n0.750000 0.274464 0.680843 Sb\n0.750000 0.225536 0.180843 Sb\n0.250000 0.774464 0.819157 Sb\n0.250000 0.214693 0.001622 Sb\n0.750000 0.785307 0.998378 Sb\n0.750000 0.714693 0.498378 Sb\n0.250000 0.285307 0.501622 Sb\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Sr",
"Mn",
"Sb"
],
"chemical_system": "Mn-Sb-Sr",
"density": 5.638649452777771,
"density_atomic": 0.03518121908502664,
"volume": 454.7881061577456,
"volume_molar": 17.117487445348544,
"formula_full": "Sr4 Mn4 Sb8",
"formula_reduced": "SrMnSb2",
"formula_anonymous": "ABC2",
"energy": -84.92330226,
"energy_per_atom": -5.30770639125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -83.38730226,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 15.4438192,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:28.375000Z",
"spacegroup": 62
},
{
"id": "mp-559818",
"created_at": "2022-09-04T14:39:11.220926Z",
"structure_string": "Sr4 Mn4 Se8 O24\n1.0\n15.093034 0.000000 0.000000\n0.000000 4.504111 0.000000\n0.000000 3.802697 9.756054\nSr Mn Se O\n4 4 8 24\ndirect\n0.883326 0.707308 0.535002 Sr\n0.383326 0.292692 0.964998 Sr\n0.116674 0.292692 0.464998 Sr\n0.616674 0.707308 0.035002 Sr\n0.347058 0.485143 0.291209 Mn\n0.652942 0.514857 0.708791 Mn\n0.152942 0.485143 0.791209 Mn\n0.847058 0.514857 0.208791 Mn\n0.799001 0.356804 0.922176 Se\n0.200999 0.643196 0.077824 Se\n0.499837 0.956144 0.280655 Se\n0.000163 0.956144 0.780655 Se\n0.700999 0.356804 0.422176 Se\n0.299001 0.643196 0.577824 Se\n0.500163 0.043856 0.719345 Se\n0.999837 0.043856 0.219345 Se\n0.300212 0.370739 0.496352 O\n0.990035 0.428937 0.215299 O\n0.314831 0.726954 0.066760 O\n0.490035 0.571063 0.284701 O\n0.114511 0.037524 0.770295 O\n0.296062 0.410181 0.750278 O\n0.685169 0.273046 0.933240 O\n0.703938 0.589819 0.249722 O\n0.968267 0.153119 0.611798 O\n0.468267 0.846881 0.888202 O\n0.203938 0.410181 0.250278 O\n0.531733 0.153119 0.111798 O\n0.031733 0.846881 0.388202 O\n0.699788 0.629261 0.503648 O\n0.199788 0.370739 0.996352 O\n0.009965 0.571063 0.784701 O\n0.885489 0.962476 0.229705 O\n0.614511 0.962476 0.729705 O\n0.800212 0.629261 0.003648 O\n0.796062 0.589819 0.749722 O\n0.385489 0.037524 0.270295 O\n0.814831 0.273046 0.433240 O\n0.185169 0.726954 0.566760 O\n0.509965 0.428937 0.715299 O\n",
"nsites": 40,
"nelements": 4,
"elements": [
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"Mn",
"Se",
"O"
],
"chemical_system": "Mn-O-Se-Sr",
"density": 3.970676065084798,
"density_atomic": 0.060311504275053704,
"volume": 663.2233846726481,
"volume_molar": 9.985061444555784,
"formula_full": "Sr4 Mn4 Se8 O24",
"formula_reduced": "SrMn(SeO3)2",
"formula_anonymous": "ABC2D6",
"energy": -270.0947454,
"energy_per_atom": -6.752368635000001,
"energy_above_hull": null,
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"band_gap": 3.1701,
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"is_theoretical": false,
"updated_at": "2021-11-28T01:34:35.747000Z",
"spacegroup": 14
},
{
"id": "mp-1046402",
"created_at": "2022-09-04T14:47:18.991654Z",
"structure_string": "Sr4 Mn4 Zn4 P8 O32\n1.0\n-1.464135 6.428361 -2.465700\n-10.839943 0.060236 2.246199\n3.901310 6.367981 5.953337\nSr Mn Zn P O\n4 4 4 8 32\ndirect\n0.751738 0.401164 0.046963 Sr\n0.751759 0.901167 0.046937 Sr\n0.248239 0.598856 0.953046 Sr\n0.248258 0.098829 0.953054 Sr\n0.277661 0.466544 0.558383 Mn\n0.722334 0.033437 0.441618 Mn\n0.277620 0.966498 0.558387 Mn\n0.722402 0.533511 0.441598 Mn\n0.730732 0.324136 0.645029 Zn\n0.730727 0.824136 0.645015 Zn\n0.269274 0.675863 0.354985 Zn\n0.269268 0.175865 0.354974 Zn\n0.193745 0.418623 0.224829 P\n0.193737 0.918635 0.224836 P\n0.806260 0.581364 0.775169 P\n0.806256 0.081382 0.775172 P\n0.720534 0.230176 0.298545 P\n0.720535 0.730176 0.298536 P\n0.279469 0.769823 0.701460 P\n0.279463 0.269822 0.701455 P\n0.649303 0.550483 0.904643 O\n0.649322 0.050480 0.904636 O\n0.350681 0.449519 0.095363 O\n0.350686 0.949517 0.095356 O\n0.259112 0.274619 0.213744 O\n0.259105 0.774623 0.213757 O\n0.740899 0.725378 0.786246 O\n0.740884 0.225384 0.786257 O\n0.025676 0.552361 0.777134 O\n0.025674 0.052364 0.777131 O\n0.974324 0.447638 0.222872 O\n0.974319 0.947637 0.222875 O\n0.420204 0.369623 0.697857 O\n0.420204 0.869628 0.697862 O\n0.579796 0.630373 0.302141 O\n0.579797 0.130370 0.302133 O\n0.174033 0.785470 0.580936 O\n0.174021 0.285455 0.580936 O\n0.825976 0.214541 0.419061 O\n0.825970 0.714533 0.419063 O\n0.128793 0.802284 0.866957 O\n0.128785 0.302288 0.866963 O\n0.871214 0.197717 0.133038 O\n0.871211 0.697707 0.133040 O\n0.191333 0.513693 0.384143 O\n0.191324 0.013701 0.384147 O\n0.808675 0.486303 0.615852 O\n0.808667 0.986307 0.615861 O\n0.586579 0.371740 0.359338 O\n0.586584 0.871736 0.359342 O\n0.413418 0.628263 0.640656 O\n0.413417 0.128258 0.640666 O\n",
"nsites": 52,
"nelements": 5,
"elements": [
"Sr",
"Mn",
"Zn",
"P",
"O"
],
"chemical_system": "Mn-O-P-Sr-Zn",
"density": 3.9901248946325905,
"density_atomic": 0.07850478761653636,
"volume": 662.3799844411865,
"volume_molar": 7.671049044060451,
"formula_full": "Sr4 Mn4 Zn4 P8 O32",
"formula_reduced": "SrMnZn(PO4)2",
"formula_anonymous": "ABCD2E8",
"energy": -392.81947884,
"energy_per_atom": -7.554220746923077,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -364.16347884,
"band_gap": 3.2141,
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"is_magnetic": true,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:05.368000Z",
"spacegroup": 2
},
{
"id": "mp-1197934",
"created_at": "2022-09-04T14:47:30.651330Z",
"structure_string": "Sr4 Mn6 P8 H4 O32\n1.0\n7.863338 0.000000 -1.588601\n0.000000 8.892896 0.000000\n-0.018079 0.000000 9.721861\nSr Mn P H O\n4 6 8 4 32\ndirect\n0.573955 0.024223 0.735268 Sr\n0.426045 0.524223 0.764732 Sr\n0.426045 0.975777 0.264732 Sr\n0.573955 0.475777 0.235268 Sr\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.898081 0.643808 0.904578 Mn\n0.101919 0.143808 0.595422 Mn\n0.101919 0.356192 0.095422 Mn\n0.898081 0.856192 0.404578 Mn\n0.145457 0.797685 0.730182 P\n0.854543 0.297685 0.769818 P\n0.854543 0.202315 0.269818 P\n0.145457 0.702315 0.230182 P\n0.655997 0.785047 0.064703 P\n0.344003 0.285047 0.435297 P\n0.344003 0.214953 0.935297 P\n0.655997 0.714953 0.564703 P\n0.401445 0.839839 0.932307 H\n0.598555 0.339839 0.567693 H\n0.598555 0.160161 0.067693 H\n0.401445 0.660161 0.432307 H\n0.058331 0.820812 0.857662 O\n0.941669 0.320812 0.642338 O\n0.941669 0.179188 0.142338 O\n0.058331 0.679188 0.357662 O\n0.068316 0.906136 0.608583 O\n0.931684 0.406136 0.891417 O\n0.931684 0.093864 0.391417 O\n0.068316 0.593864 0.108583 O\n0.122724 0.631355 0.682698 O\n0.877276 0.131355 0.817302 O\n0.877276 0.368645 0.317302 O\n0.122724 0.868645 0.182698 O\n0.341528 0.826752 0.778159 O\n0.658472 0.326752 0.721841 O\n0.658472 0.173248 0.221841 O\n0.341528 0.673248 0.278159 O\n0.705950 0.807424 0.223966 O\n0.294050 0.307424 0.276034 O\n0.294050 0.192576 0.776034 O\n0.705950 0.692576 0.723966 O\n0.761649 0.873898 0.976399 O\n0.238351 0.373898 0.523601 O\n0.238351 0.126102 0.023601 O\n0.761649 0.626102 0.476399 O\n0.652311 0.617887 0.019174 O\n0.347689 0.117887 0.480826 O\n0.347689 0.382113 0.980826 O\n0.652311 0.882113 0.519174 O\n0.464949 0.846834 0.036022 O\n0.535051 0.346834 0.463978 O\n0.535051 0.153166 0.963978 O\n0.464949 0.653166 0.536022 O\n",
"nsites": 54,
"nelements": 5,
"elements": [
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"Mn",
"P",
"H",
"O"
],
"chemical_system": "H-Mn-O-P-Sr",
"density": 3.528199446112667,
"density_atomic": 0.07946161492402927,
"volume": 679.5734022222891,
"volume_molar": 7.57867904617541,
"formula_full": "Sr4 Mn6 P8 H4 O32",
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{
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}