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{
"id": "mp-1206730",
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"structure_string": "Sr2 Mg1 Mo1 O6\n1.0\n0.000000 4.001502 4.001502\n4.001502 0.000000 4.001502\n4.001502 4.001502 0.000000\nSr Mg Mo O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Sr\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Mo\n0.757256 0.242744 0.242744 O\n0.242744 0.757256 0.757256 O\n0.242744 0.757256 0.242744 O\n0.757256 0.242744 0.757256 O\n0.242744 0.242744 0.757256 O\n0.757256 0.757256 0.242744 O\n",
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{
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"structure_string": "Sr6 Mg1 Mo3 O14\n1.0\n2.862771 -10.457392 0.000000\n2.862771 10.457392 0.000000\n0.000000 0.000000 5.674924\nSr Mg Mo O\n6 1 3 14\ndirect\n0.498314 0.501686 0.000000 Sr\n0.997949 0.002051 0.500000 Sr\n0.685661 0.314339 0.000000 Sr\n0.189125 0.810875 0.500000 Sr\n0.814336 0.185664 0.500000 Sr\n0.315291 0.684709 0.000000 Sr\n0.400925 0.599075 0.500000 Mg\n0.901512 0.098488 0.000000 Mo\n0.099884 0.900116 0.000000 Mo\n0.596876 0.403124 0.500000 Mo\n0.663904 0.858696 0.760681 O\n0.141304 0.336096 0.239319 O\n0.141304 0.336096 0.760681 O\n0.663904 0.858696 0.239319 O\n0.842211 0.648122 0.752996 O\n0.351878 0.157789 0.247004 O\n0.351878 0.157789 0.752996 O\n0.842211 0.648122 0.247004 O\n0.806528 0.193472 0.000000 O\n0.302268 0.697732 0.500000 O\n0.699621 0.300379 0.500000 O\n0.197042 0.802958 0.000000 O\n0.498114 0.501886 0.500000 O\n0.997962 0.002038 0.000000 O\n",
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"formula_full": "Sr6 Mg1 Mo3 O14",
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"formula_anonymous": "AB3C6D14",
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"updated_at": "2021-11-28T01:34:53.356000Z",
"spacegroup": 38
},
{
"id": "mp-1078539",
"created_at": "2022-09-04T14:41:27.597860Z",
"structure_string": "Sr2 Mg1 Mo1 O6\n1.0\n-2.819724 2.819724 4.019856\n2.819724 -2.819724 4.019856\n2.819724 2.819724 -4.019856\nSr Mg Mo O\n2 1 1 6\ndirect\n0.750000 0.250000 0.500000 Sr\n0.250000 0.750000 0.500000 Sr\n0.500000 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 Mo\n0.758177 0.758177 0.000000 O\n0.241823 0.241823 0.000000 O\n0.791174 0.726173 0.517347 O\n0.208826 0.273827 0.482653 O\n0.726173 0.208826 0.935000 O\n0.273827 0.791174 0.065000 O\n",
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"elements": [
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],
"chemical_system": "Mg-Mo-O-Sr",
"density": 5.084831210994781,
"density_atomic": 0.07821972973437304,
"volume": 127.84498276789084,
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"formula_full": "Sr2 Mg1 Mo1 O6",
"formula_reduced": "Sr2MgMoO6",
"formula_anonymous": "ABC2D6",
"energy": -74.15587565999999,
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"updated_at": "2021-11-28T01:35:18.283000Z",
"spacegroup": 87
},
{
"id": "mp-1036147",
"created_at": "2022-09-04T14:39:45.428446Z",
"structure_string": "Sr1 Mg14 Mn1 O16\n1.0\n4.414338 0.000000 0.000000\n0.000000 8.691961 0.000000\n0.000000 0.000000 8.694249\nSr Mg Mn O\n1 14 1 16\ndirect\n0.000000 0.500000 0.000000 Sr\n0.000000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.758441 0.000000 Mg\n0.500000 0.241559 0.000000 Mg\n0.500000 0.751342 0.500000 Mg\n0.500000 0.248658 0.500000 Mg\n0.500000 0.000000 0.747119 Mg\n0.500000 0.500000 0.740342 Mg\n0.500000 0.000000 0.252881 Mg\n0.500000 0.500000 0.259658 Mg\n0.000000 0.755252 0.742700 Mg\n0.000000 0.244748 0.742700 Mg\n0.000000 0.755252 0.257300 Mg\n0.000000 0.244748 0.257300 Mg\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.737614 O\n0.000000 0.500000 0.728242 O\n0.000000 0.000000 0.262386 O\n0.000000 0.500000 0.271758 O\n0.500000 0.750411 0.750279 O\n0.500000 0.249589 0.750279 O\n0.500000 0.750411 0.249721 O\n0.500000 0.249589 0.249721 O\n0.500000 0.000000 0.000000 O\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.766000 0.000000 O\n0.000000 0.234000 0.000000 O\n0.000000 0.752930 0.500000 O\n0.000000 0.247070 0.500000 O\n",
"nsites": 32,
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"elements": [
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],
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"density_atomic": 0.09592560606686905,
"volume": 333.59184593207607,
"volume_molar": 6.277928289347486,
"formula_full": "Sr1 Mg14 Mn1 O16",
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"formula_anonymous": "ABC14D16",
"energy": -204.94901625,
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"updated_at": "2021-11-28T01:34:42.782000Z",
"spacegroup": 47
},
{
"id": "mp-1038040",
"created_at": "2022-09-04T14:41:05.095276Z",
"structure_string": "Sr1 Mg30 Mn1 O32\n1.0\n8.615122 0.000000 0.000000\n0.000000 8.615122 0.000000\n0.000000 0.000000 8.613641\nSr Mg Mn O\n1 30 1 32\ndirect\n0.500000 0.500000 0.000000 Sr\n0.500000 0.000000 0.000000 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.246051 0.246051 0.000000 Mg\n0.753949 0.246051 0.000000 Mg\n0.246051 0.753949 0.000000 Mg\n0.753949 0.753949 0.000000 Mg\n0.249772 0.249772 0.500000 Mg\n0.750228 0.249772 0.500000 Mg\n0.249772 0.750228 0.500000 Mg\n0.750228 0.750228 0.500000 Mg\n0.250751 0.000000 0.251134 Mg\n0.749249 0.000000 0.251134 Mg\n0.245015 0.500000 0.254864 Mg\n0.754985 0.500000 0.254864 Mg\n0.250751 0.000000 0.748866 Mg\n0.749249 0.000000 0.748866 Mg\n0.245015 0.500000 0.745136 Mg\n0.754985 0.500000 0.745136 Mg\n0.000000 0.250751 0.251134 Mg\n0.500000 0.245015 0.254864 Mg\n0.000000 0.749249 0.251134 Mg\n0.500000 0.754985 0.254864 Mg\n0.000000 0.250751 0.748866 Mg\n0.500000 0.245015 0.745136 Mg\n0.000000 0.749249 0.748866 Mg\n0.500000 0.754985 0.745136 Mg\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.256648 O\n0.500000 0.000000 0.254320 O\n0.000000 0.500000 0.254320 O\n0.500000 0.500000 0.269988 O\n0.000000 0.000000 0.743352 O\n0.500000 0.000000 0.745680 O\n0.000000 0.500000 0.745680 O\n0.500000 0.500000 0.730012 O\n0.250225 0.250225 0.249297 O\n0.749775 0.250225 0.249297 O\n0.250225 0.749775 0.249297 O\n0.749775 0.749775 0.249297 O\n0.250225 0.250225 0.750703 O\n0.749775 0.250225 0.750703 O\n0.250225 0.749775 0.750703 O\n0.749775 0.749775 0.750703 O\n0.252782 0.000000 0.000000 O\n0.747218 0.000000 0.000000 O\n0.230632 0.500000 0.000000 O\n0.769368 0.500000 0.000000 O\n0.250286 0.000000 0.500000 O\n0.749714 0.000000 0.500000 O\n0.246533 0.500000 0.500000 O\n0.753467 0.500000 0.500000 O\n0.000000 0.252782 0.000000 O\n0.500000 0.230632 0.000000 O\n0.000000 0.747218 0.000000 O\n0.500000 0.769368 0.000000 O\n0.000000 0.250286 0.500000 O\n0.500000 0.246533 0.500000 O\n0.000000 0.749714 0.500000 O\n0.500000 0.753467 0.500000 O\n",
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"elements": [
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],
"chemical_system": "Mg-Mn-O-Sr",
"density": 3.593998620824053,
"density_atomic": 0.10010835911400179,
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"volume_molar": 6.0156222849902905,
"formula_full": "Sr1 Mg30 Mn1 O32",
"formula_reduced": "SrMg30MnO32",
"formula_anonymous": "ABC30D32",
"energy": -407.92542404,
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"spacegroup": 123
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{
"id": "mp-1234842",
"created_at": "2022-09-04T14:45:56.800810Z",
"structure_string": "Sr8 Mg1 Mn6 O20\n1.0\n5.599743 0.117673 -0.089768\n-2.680200 6.152453 -0.078135\n-0.171128 -0.267269 13.807183\nSr Mg Mn O\n8 1 6 20\ndirect\n0.216356 0.468348 0.150565 Sr\n0.680459 0.455214 0.954767 Sr\n0.745877 0.487244 0.382984 Sr\n0.274036 0.535905 0.575883 Sr\n0.037750 0.962044 0.615023 Sr\n0.015517 0.061824 0.353840 Sr\n0.483013 0.038727 0.157807 Sr\n0.615881 0.919893 0.790482 Sr\n0.263470 0.821917 0.940104 Mg\n0.689893 0.293251 0.651838 Mn\n0.365562 0.749895 0.348453 Mn\n0.846225 0.734723 0.157249 Mn\n0.174135 0.283242 0.841223 Mn\n0.533218 0.027050 0.493146 Mn\n0.905248 0.021781 0.009788 Mn\n0.482476 0.258382 0.758984 O\n0.105024 0.760958 0.259427 O\n0.605509 0.756667 0.252084 O\n0.964833 0.243960 0.719687 O\n0.180525 0.808281 0.457848 O\n0.426161 0.248222 0.539900 O\n0.174094 0.290460 0.984090 O\n0.084158 0.740059 0.059195 O\n0.870952 0.224096 0.518814 O\n0.627874 0.789226 0.450525 O\n0.627536 0.758827 0.054617 O\n0.598341 0.075483 0.956361 O\n0.836381 0.581287 0.639190 O\n0.221101 0.453421 0.350965 O\n0.995779 0.064740 0.156067 O\n0.030817 0.953483 0.867826 O\n0.512306 0.941360 0.623381 O\n0.697779 0.431069 0.151356 O\n0.309018 0.590893 0.854218 O\n0.528885 0.084734 0.354606 O\n",
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"elements": [
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],
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"volume": 479.7676426786027,
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"formula_full": "Sr8 Mg1 Mn6 O20",
"formula_reduced": "Sr8MgMn6O20",
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"energy": -257.98608287,
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},
{
"id": "mp-1036160",
"created_at": "2022-09-04T14:40:07.554987Z",
"structure_string": "Sr1 Mg14 Mn1 O16\n1.0\n8.684013 0.000000 0.000000\n0.000000 8.684013 0.000000\n0.000000 0.000000 4.413899\nSr Mg Mn O\n1 14 1 16\ndirect\n0.500000 0.500000 0.000000 Sr\n0.500000 0.000000 0.000000 Mg\n0.000000 0.500000 0.000000 Mg\n0.250755 0.000000 0.500000 Mg\n0.749245 0.000000 0.500000 Mg\n0.240550 0.500000 0.500000 Mg\n0.759450 0.500000 0.500000 Mg\n0.000000 0.250755 0.500000 Mg\n0.500000 0.240550 0.500000 Mg\n0.000000 0.749245 0.500000 Mg\n0.500000 0.759450 0.500000 Mg\n0.245329 0.245329 0.000000 Mg\n0.754671 0.245329 0.000000 Mg\n0.245329 0.754671 0.000000 Mg\n0.754671 0.754671 0.000000 Mg\n0.000000 0.000000 0.000000 Mn\n0.000000 0.252885 0.000000 O\n0.500000 0.229092 0.000000 O\n0.000000 0.747115 0.000000 O\n0.500000 0.770908 0.000000 O\n0.249645 0.249645 0.500000 O\n0.750355 0.249645 0.500000 O\n0.249645 0.750355 0.500000 O\n0.750355 0.750355 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.252885 0.000000 0.000000 O\n0.747115 0.000000 0.000000 O\n0.229092 0.500000 0.000000 O\n0.770908 0.500000 0.000000 O\n",
"nsites": 32,
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"elements": [
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],
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"volume": 332.86131237506174,
"volume_molar": 6.264180239627974,
"formula_full": "Sr1 Mg14 Mn1 O16",
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"energy": -205.12207861,
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"spacegroup": 123
},
{
"id": "mp-1038085",
"created_at": "2022-09-04T14:39:08.224427Z",
"structure_string": "Sr1 Mg30 Mn1 O32\n1.0\n8.636140 0.000000 0.000000\n0.000000 8.636140 0.000000\n0.000000 0.000000 8.600862\nSr Mg Mn O\n1 30 1 32\ndirect\n0.000000 0.000000 0.500000 Sr\n0.500000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.256840 0.000000 0.245105 Mg\n0.256840 0.000000 0.754895 Mg\n0.743160 0.000000 0.245105 Mg\n0.743160 0.000000 0.754895 Mg\n0.250329 0.500000 0.249463 Mg\n0.250329 0.500000 0.750537 Mg\n0.749671 0.500000 0.249463 Mg\n0.749671 0.500000 0.750537 Mg\n0.000000 0.256840 0.245105 Mg\n0.000000 0.256840 0.754895 Mg\n0.500000 0.250329 0.249463 Mg\n0.500000 0.250329 0.750537 Mg\n0.000000 0.743160 0.245105 Mg\n0.000000 0.743160 0.754895 Mg\n0.500000 0.749671 0.249463 Mg\n0.500000 0.749671 0.750537 Mg\n0.249841 0.249841 0.000000 Mg\n0.254928 0.254928 0.500000 Mg\n0.750159 0.249841 0.000000 Mg\n0.745072 0.254928 0.500000 Mg\n0.249841 0.750159 0.000000 Mg\n0.254928 0.745072 0.500000 Mg\n0.750159 0.750159 0.000000 Mg\n0.745072 0.745072 0.500000 Mg\n0.000000 0.000000 0.000000 Mn\n0.000000 0.261637 0.000000 O\n0.000000 0.269923 0.500000 O\n0.500000 0.251397 0.000000 O\n0.500000 0.253450 0.500000 O\n0.000000 0.738363 0.000000 O\n0.000000 0.730077 0.500000 O\n0.500000 0.748603 0.000000 O\n0.500000 0.746550 0.500000 O\n0.248946 0.248946 0.250480 O\n0.248946 0.248946 0.749520 O\n0.751054 0.248946 0.250480 O\n0.751054 0.248946 0.749520 O\n0.248946 0.751054 0.250480 O\n0.248946 0.751054 0.749520 O\n0.751054 0.751054 0.250480 O\n0.751054 0.751054 0.749520 O\n0.000000 0.000000 0.233948 O\n0.000000 0.000000 0.766052 O\n0.500000 0.000000 0.247791 O\n0.500000 0.000000 0.752209 O\n0.000000 0.500000 0.247791 O\n0.000000 0.500000 0.752209 O\n0.500000 0.500000 0.249819 O\n0.500000 0.500000 0.750181 O\n0.261637 0.000000 0.000000 O\n0.269923 0.000000 0.500000 O\n0.738363 0.000000 0.000000 O\n0.730077 0.000000 0.500000 O\n0.251397 0.500000 0.000000 O\n0.253450 0.500000 0.500000 O\n0.748603 0.500000 0.000000 O\n0.746550 0.500000 0.500000 O\n",
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"elements": [
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],
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"volume": 641.4773517285137,
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"formula_full": "Sr1 Mg30 Mn1 O32",
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"energy": -407.76663928,
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},
{
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"structure_string": "Sr1 Mg6 Mn1 O8\n1.0\n8.795168 0.000000 0.000000\n0.000000 4.525716 0.000000\n0.000000 0.000000 4.525716\nSr Mg Mn O\n1 6 1 8\ndirect\n0.500000 0.000000 0.000000 Sr\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.239794 0.000000 0.500000 Mg\n0.760206 0.000000 0.500000 Mg\n0.239794 0.500000 0.000000 Mg\n0.760206 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 Mn\n0.232748 0.000000 0.000000 O\n0.767252 0.000000 0.000000 O\n0.247821 0.500000 0.500000 O\n0.752179 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
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"formula_full": "Sr1 Mg6 Mn1 O8",
"formula_reduced": "SrMg6MnO8",
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"updated_at": "2021-11-28T01:35:55.356000Z",
"spacegroup": 123
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{
"id": "mp-1032448",
"created_at": "2022-09-04T14:48:27.220546Z",
"structure_string": "Sr1 Mg6 Mn1 O8\n1.0\n8.803106 0.000000 0.000000\n0.000000 4.509883 0.000000\n0.000000 0.000000 4.509883\nSr Mg Mn O\n1 6 1 8\ndirect\n0.000000 0.500000 0.500000 Sr\n0.500000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.263324 0.000000 0.500000 Mg\n0.736676 0.000000 0.500000 Mg\n0.263324 0.500000 0.000000 Mg\n0.736676 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 Mn\n0.259364 0.000000 0.000000 O\n0.740636 0.000000 0.000000 O\n0.273294 0.500000 0.500000 O\n0.726706 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
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"elements": [
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],
"chemical_system": "Mg-Mn-O-Sr",
"density": 3.8616762517963252,
"density_atomic": 0.08936212778073065,
"volume": 179.0467662012197,
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"formula_full": "Sr1 Mg6 Mn1 O8",
"formula_reduced": "SrMg6MnO8",
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},
{
"id": "mp-1234849",
"created_at": "2022-09-04T14:48:21.891138Z",
"structure_string": "Sr8 Mg1 Mn6 O20\n1.0\n5.592580 -0.012284 0.173133\n-2.805074 6.219210 -0.022627\n0.430378 0.093272 14.103511\nSr Mg Mn O\n8 1 6 20\ndirect\n0.210254 0.483253 0.032861 Sr\n0.749271 0.509173 0.852667 Sr\n0.796826 0.490342 0.445568 Sr\n0.284806 0.520723 0.625487 Sr\n0.994217 0.944381 0.640459 Sr\n0.092286 0.085480 0.390362 Sr\n0.517763 0.075422 0.129351 Sr\n0.466811 0.941742 0.849786 Sr\n0.098991 0.547248 0.236878 Mg\n0.645938 0.252751 0.656474 Mn\n0.433296 0.761454 0.358639 Mn\n0.838106 0.757791 0.151072 Mn\n0.116889 0.237660 0.841996 Mn\n0.538746 0.000366 0.509895 Mn\n0.986100 0.985853 0.992419 Mn\n0.370768 0.237049 0.748232 O\n0.039868 0.810914 0.260829 O\n0.507803 0.736808 0.218112 O\n0.876313 0.223178 0.752379 O\n0.213516 0.791716 0.473952 O\n0.396033 0.214605 0.535995 O\n0.331385 0.207814 0.951025 O\n0.132003 0.809326 0.047566 O\n0.874671 0.221109 0.546818 O\n0.677356 0.791028 0.479986 O\n0.660502 0.756933 0.030238 O\n0.850504 0.190586 0.948544 O\n0.805252 0.555029 0.657066 O\n0.195699 0.463829 0.354368 O\n0.981434 0.081223 0.122152 O\n0.972284 0.909101 0.856115 O\n0.474180 0.925503 0.645907 O\n0.804193 0.463138 0.154804 O\n0.257582 0.543575 0.852628 O\n0.605973 0.075748 0.373328 O\n",
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"elements": [
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],
"chemical_system": "Mg-Mn-O-Sr",
"density": 4.663484852591546,
"density_atomic": 0.07149313175565189,
"volume": 489.5575160929088,
"volume_molar": 8.423383634364177,
"formula_full": "Sr8 Mg1 Mn6 O20",
"formula_reduced": "Sr8MgMn6O20",
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"updated_at": "2021-11-28T01:39:33.076000Z",
"spacegroup": 1
},
{
"id": "mp-9454",
"created_at": "2022-09-04T14:46:16.113995Z",
"structure_string": "Sr6 Mg2 Ir2 O12\n1.0\n4.677166 -4.866909 0.000000\n4.677166 4.866909 0.000000\n-0.387185 0.000000 6.738900\nSr Mg Ir O\n6 2 2 12\ndirect\n0.614037 0.250000 0.885963 Sr\n0.885963 0.614037 0.250000 Sr\n0.750000 0.114037 0.385963 Sr\n0.385963 0.750000 0.114037 Sr\n0.114037 0.385963 0.750000 Sr\n0.250000 0.885963 0.614037 Sr\n0.250000 0.250000 0.250000 Mg\n0.750000 0.750000 0.750000 Mg\n0.000000 0.000000 0.000000 Ir\n0.500000 0.500000 0.500000 Ir\n0.595610 0.787001 0.463393 O\n0.463393 0.595610 0.787001 O\n0.787001 0.463393 0.595610 O\n0.904390 0.036607 0.712999 O\n0.712999 0.904390 0.036607 O\n0.036607 0.712999 0.904390 O\n0.404390 0.212999 0.536607 O\n0.536607 0.404390 0.212999 O\n0.212999 0.536607 0.404390 O\n0.095610 0.963393 0.287001 O\n0.963393 0.287001 0.095610 O\n0.287001 0.095610 0.963393 O\n",
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"elements": [
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"formula_full": "Sr6 Mg2 Ir2 O12",
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"updated_at": "2021-11-28T01:37:27.303000Z",
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}
]
}