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{
"id": "mp-1218206",
"created_at": "2022-09-04T14:45:59.343208Z",
"structure_string": "Sr4 Mn4 O12\n1.0\n2.762758 -4.785238 0.000000\n2.762758 4.785238 0.000000\n0.000000 0.000000 9.292450\nSr Mn O\n4 4 12\ndirect\n0.333333 0.666667 0.247607 Sr\n0.666667 0.333333 0.747607 Sr\n0.000000 0.000000 0.489510 Sr\n0.000000 0.000000 0.989510 Sr\n0.333333 0.666667 0.887120 Mn\n0.666667 0.333333 0.112978 Mn\n0.666667 0.333333 0.387120 Mn\n0.333333 0.666667 0.612978 Mn\n0.499719 0.500281 0.499841 O\n0.499719 0.999437 0.499841 O\n0.000563 0.500281 0.499841 O\n0.500281 0.499719 0.999841 O\n0.500281 0.000563 0.999841 O\n0.999437 0.499719 0.999841 O\n0.181021 0.362042 0.750425 O\n0.637958 0.818979 0.750425 O\n0.181021 0.818979 0.750425 O\n0.818979 0.637958 0.250425 O\n0.362042 0.181021 0.250425 O\n0.818979 0.181021 0.250425 O\n",
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{
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"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",
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"formula_full": "Sr4 Mn4 O12",
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"updated_at": "2021-11-28T01:38:26.747000Z",
"spacegroup": 194
},
{
"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",
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"elements": [
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"chemical_system": "Mn-O-Sr",
"density": 5.1280402987673455,
"density_atomic": 0.0810306177916171,
"volume": 246.82028281498637,
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"formula_full": "Sr4 Mn4 O12",
"formula_reduced": "SrMnO3",
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"updated_at": "2021-11-28T01:38:18.944000Z",
"spacegroup": 20
},
{
"id": "mp-1193101",
"created_at": "2022-09-04T14:42:50.689926Z",
"structure_string": "Sr6 Mn6 O18\n1.0\n2.765169 -4.789414 0.000000\n2.765169 4.789414 0.000000\n0.000000 0.000000 13.671871\nSr Mn O\n6 6 18\ndirect\n0.000000 0.000000 0.250000 Sr\n0.000000 0.000000 0.750000 Sr\n0.333333 0.666667 0.411603 Sr\n0.666667 0.333333 0.588397 Sr\n0.666667 0.333333 0.911603 Sr\n0.333333 0.666667 0.088397 Sr\n0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.333333 0.666667 0.655994 Mn\n0.666667 0.333333 0.344006 Mn\n0.666667 0.333333 0.155994 Mn\n0.333333 0.666667 0.844006 Mn\n0.514440 0.485560 0.250000 O\n0.514440 0.028879 0.250000 O\n0.971121 0.485560 0.250000 O\n0.485560 0.514440 0.750000 O\n0.485560 0.971121 0.750000 O\n0.028879 0.514440 0.750000 O\n0.835580 0.164420 0.418233 O\n0.835580 0.671161 0.418233 O\n0.328839 0.164420 0.418233 O\n0.164420 0.835580 0.581767 O\n0.164420 0.328839 0.581767 O\n0.671161 0.835580 0.581767 O\n0.164420 0.835580 0.918233 O\n0.164420 0.328839 0.918233 O\n0.671161 0.835580 0.918233 O\n0.835580 0.164420 0.081767 O\n0.835580 0.671161 0.081767 O\n0.328839 0.164420 0.081767 O\n",
"nsites": 30,
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"elements": [
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"density": 5.2427787162737856,
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"volume": 362.12791689060106,
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"formula_full": "Sr6 Mn6 O18",
"formula_reduced": "SrMnO3",
"formula_anonymous": "ABC3",
"energy": -228.71712344,
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"updated_at": "2021-11-28T01:35:53.946000Z",
"spacegroup": 194
},
{
"id": "mp-1106083",
"created_at": "2022-09-04T14:41:54.559444Z",
"structure_string": "Sr2 Mn2 O2 F10\n1.0\n7.798939 0.000000 0.000000\n0.000000 5.369193 0.000000\n0.000000 2.119335 5.699044\nSr Mn O F\n2 2 2 10\ndirect\n0.250000 0.914475 0.384178 Sr\n0.750000 0.085525 0.615822 Sr\n0.000000 0.500000 0.000000 Mn\n0.500000 0.500000 0.000000 Mn\n0.250000 0.344040 0.557607 O\n0.750000 0.655960 0.442393 O\n0.250000 0.359420 0.036736 F\n0.750000 0.640580 0.963264 F\n0.054793 0.713634 0.174014 F\n0.554793 0.286366 0.825986 F\n0.945207 0.286366 0.825986 F\n0.445207 0.713634 0.174014 F\n0.037692 0.789227 0.714237 F\n0.537692 0.210773 0.285763 F\n0.962308 0.210773 0.285763 F\n0.462308 0.789227 0.714237 F\n",
"nsites": 16,
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"elements": [
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],
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"density": 3.5285415515722662,
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"volume": 238.64181795918986,
"volume_molar": 8.982091368578358,
"formula_full": "Sr2 Mn2 O2 F10",
"formula_reduced": "SrMnOF5",
"formula_anonymous": "ABCD5",
"energy": -91.11824907,
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},
{
"id": "mp-5589",
"created_at": "2022-09-04T14:48:22.745798Z",
"structure_string": "Sr1 Mn2 P2\n1.0\n1.925863 -3.335693 0.000000\n1.925863 3.335693 0.000000\n0.000000 0.000000 7.125747\nSr Mn P\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.666667 0.333333 0.387774 Mn\n0.333333 0.666667 0.612226 Mn\n0.666667 0.333333 0.705941 P\n0.333333 0.666667 0.294059 P\n",
"nsites": 5,
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"elements": [
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"density": 4.70565654039031,
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"formula_full": "Sr1 Mn2 P2",
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"formula_anonymous": "AB2C2",
"energy": -33.98223887,
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"spacegroup": 164
},
{
"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",
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"formula_full": "Sr4 Mn4 P8 O28",
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"spacegroup": 14
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{
"id": "mp-1079195",
"created_at": "2022-09-04T14:46:16.308305Z",
"structure_string": "Sr2 Mn2 P2 F2\n1.0\n4.177430 0.000000 0.000000\n0.000000 4.177430 0.000000\n0.000000 0.000000 9.122368\nSr Mn P F\n2 2 2 2\ndirect\n0.000000 0.500000 0.847500 Sr\n0.500000 0.000000 0.152500 Sr\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.500000 Mn\n0.000000 0.500000 0.334570 P\n0.500000 0.000000 0.665430 P\n0.500000 0.500000 0.000000 F\n0.000000 0.000000 0.000000 F\n",
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"elements": [
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],
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"density": 4.01653936462842,
"density_atomic": 0.050253236424778434,
"volume": 159.1937269945748,
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"formula_full": "Sr2 Mn2 P2 F2",
"formula_reduced": "SrMnPF",
"formula_anonymous": "ABCD",
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"spacegroup": 129
},
{
"id": "mp-1046462",
"created_at": "2022-09-04T14:39:23.539358Z",
"structure_string": "Sr2 Mn2 P4 O16\n1.0\n5.745377 0.000000 0.000000\n-1.150661 6.959347 0.000000\n-1.833323 -3.446631 8.163075\nSr Mn P O\n2 2 4 16\ndirect\n0.248902 0.767800 0.038445 Sr\n0.751098 0.232200 0.961555 Sr\n0.678090 0.836264 0.552809 Mn\n0.321910 0.163736 0.447191 Mn\n0.400841 0.434814 0.237570 P\n0.599159 0.565186 0.762430 P\n0.849945 0.024740 0.302736 P\n0.150055 0.975260 0.697264 P\n0.826475 0.561976 0.882524 O\n0.631299 0.465033 0.183734 O\n0.642873 0.782003 0.739385 O\n0.939271 0.093962 0.702842 O\n0.368701 0.534967 0.816266 O\n0.983405 0.755738 0.565685 O\n0.016595 0.244262 0.434315 O\n0.278819 0.987732 0.864632 O\n0.357127 0.217997 0.260615 O\n0.721181 0.012268 0.135368 O\n0.173525 0.438024 0.117476 O\n0.424321 0.607986 0.409422 O\n0.575679 0.392014 0.590578 O\n0.645922 0.946177 0.376746 O\n0.060729 0.906038 0.297158 O\n0.354078 0.053823 0.623254 O\n",
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"formula_full": "Sr2 Mn2 P4 O16",
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"formula_anonymous": "ABC2D8",
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"spacegroup": 2
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{
"id": "mp-631560",
"created_at": "2022-09-04T14:45:55.727308Z",
"structure_string": "Sr1 Mn1 Re2\n1.0\n0.000000 3.224089 3.224089\n3.224089 0.000000 3.224089\n3.224089 3.224089 0.000000\nSr Mn Re\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Sr\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Re\n0.750000 0.750000 0.750000 Re\n",
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],
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"density": 12.757973344201735,
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"formula_full": "Sr1 Mn1 Re2",
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"formula_anonymous": "ABC2",
"energy": -31.7256209,
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{
"id": "mp-2968",
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"structure_string": "Sr1 Mn2 Sb2\n1.0\n2.277258 -3.944326 0.000000\n2.277258 3.944326 0.000000\n0.000000 0.000000 7.895520\nSr Mn Sb\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.666667 0.333333 0.379825 Mn\n0.333333 0.666667 0.620175 Mn\n0.666667 0.333333 0.731808 Sb\n0.333333 0.666667 0.268192 Sb\n",
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"chemical_system": "Mn-Sb-Sr",
"density": 5.163066985049941,
"density_atomic": 0.03525122648929264,
"volume": 141.83903648058094,
"volume_molar": 17.08349285897667,
"formula_full": "Sr1 Mn2 Sb2",
"formula_reduced": "Sr(MnSb)2",
"formula_anonymous": "AB2C2",
"energy": -29.6577653,
"energy_per_atom": -5.931553060000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.2737653,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.0054098,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:05.634000Z",
"spacegroup": 164
},
{
"id": "mp-1079721",
"created_at": "2022-09-04T14:47:17.691493Z",
"structure_string": "Sr2 Mn2 Sb4\n1.0\n4.417009 0.000000 0.000000\n0.000000 4.417009 0.000000\n0.000000 0.000000 11.720089\nSr Mn Sb\n2 2 4\ndirect\n0.000000 0.500000 0.233052 Sr\n0.500000 0.000000 0.766948 Sr\n0.000000 0.000000 0.500000 Mn\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Sb\n0.500000 0.500000 0.000000 Sb\n0.000000 0.500000 0.641093 Sb\n0.500000 0.000000 0.358907 Sb\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Sr",
"Mn",
"Sb"
],
"chemical_system": "Mn-Sb-Sr",
"density": 5.6074669242399935,
"density_atomic": 0.03498666197036646,
"volume": 228.65856727846636,
"volume_molar": 17.212675976635683,
"formula_full": "Sr2 Mn2 Sb4",
"formula_reduced": "SrMnSb2",
"formula_anonymous": "ABC2",
"energy": -42.45336131,
"energy_per_atom": -5.30667016375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -41.68536131,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.1407495,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:02.900000Z",
"spacegroup": 129
}
]
}