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{
"id": "jvasp-36643",
"created_at": "2022-09-04T14:37:19.282039Z",
"updated_at": "2022-09-04T14:37:19.282070Z",
"structure_string": "Sr1 Mn1 O3\n1.0\n3.830015 0.000000 -0.000000\n0.000000 3.830015 0.000000\n-0.000000 0.000000 3.830015\nSr Mn O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Sr\n0.499999 0.499999 0.499999 Mn\n0.000000 0.499999 0.499999 O\n0.499999 0.499999 0.000000 O\n0.499999 0.000000 0.499999 O\n",
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"formula_full": "Sr1 Mn1 O3",
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{
"id": "jvasp-17976",
"created_at": "2022-09-04T14:38:14.679649Z",
"updated_at": "2022-09-04T14:38:14.679679Z",
"structure_string": "Sr1 Mn2 Ge2\n1.0\n3.813848 -0.000000 -1.398466\n-0.512791 3.779218 -1.398466\n0.191913 0.219712 6.423110\nSr Mn Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.250000 0.750000 0.499999 Mn\n0.750000 0.250000 0.499999 Mn\n0.633941 0.633941 0.267880 Ge\n0.366059 0.366059 0.732118 Ge\n",
"nsites": 5,
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"chemical_system": "Ge-Mn-Sr",
"density": 5.996410686886094,
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"volume": 94.92229906570604,
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"formula_full": "Sr1 Mn2 Ge2",
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"formula_anonymous": "AB2C2",
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{
"id": "jvasp-14312",
"created_at": "2022-09-04T14:36:32.932877Z",
"updated_at": "2022-09-04T14:36:32.932911Z",
"structure_string": "Sr1 Mn2 Ge2\n1.0\n3.813848 -0.000000 -1.398466\n-0.512791 3.779218 -1.398466\n0.191913 0.219712 6.423110\nSr Mn Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.250000 0.750000 0.499999 Mn\n0.750000 0.250000 0.499999 Mn\n0.633941 0.633941 0.267880 Ge\n0.366059 0.366059 0.732118 Ge\n",
"nsites": 5,
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"volume": 94.92229906570604,
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"formula_full": "Sr1 Mn2 Ge2",
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"formula_anonymous": "AB2C2",
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"spacegroup": 139
},
{
"id": "jvasp-93831",
"created_at": "2022-09-04T14:35:43.542039Z",
"updated_at": "2022-09-04T14:35:43.542060Z",
"structure_string": "Sr2 Mn2 Ge2\n1.0\n4.393288 0.000000 0.000000\n0.000000 4.393288 0.000000\n0.000000 0.000000 7.291392\nSr Mn Ge\n2 2 2\ndirect\n0.000000 0.500000 0.330342 Sr\n0.500000 0.000000 0.669658 Sr\n0.500000 0.500000 0.000000 Mn\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.813306 Ge\n0.500000 0.000000 0.186694 Ge\n",
"nsites": 6,
"nelements": 3,
"elements": [
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"Mn",
"Ge"
],
"chemical_system": "Ge-Mn-Sr",
"density": 5.078408347780782,
"density_atomic": 0.04263452753624741,
"volume": 140.7310071607775,
"volume_molar": 14.125032240312834,
"formula_full": "Sr2 Mn2 Ge2",
"formula_reduced": "SrMnGe",
"formula_anonymous": "ABC",
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"spacegroup": 129
},
{
"id": "jvasp-17627",
"created_at": "2022-09-04T14:38:16.156984Z",
"updated_at": "2022-09-04T14:38:16.157013Z",
"structure_string": "Sr2 Mn2 Ge2\n1.0\n4.394160 0.000000 0.000000\n0.000000 4.394160 0.000000\n0.000000 -0.000000 7.291286\nSr Mn Ge\n2 2 2\ndirect\n0.000000 0.500000 0.330369 Sr\n0.500000 0.000000 0.669632 Sr\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.000000 Mn\n0.000000 0.500000 0.813214 Ge\n0.500000 0.000000 0.186786 Ge\n",
"nsites": 6,
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"elements": [
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"density": 5.07646677626083,
"density_atomic": 0.042618227550353764,
"volume": 140.78483186357184,
"volume_molar": 14.130434572589378,
"formula_full": "Sr2 Mn2 Ge2",
"formula_reduced": "SrMnGe",
"formula_anonymous": "ABC",
"energy_above_hull": 1.2361365004597702,
"spacegroup": 129
},
{
"id": "jvasp-18519",
"created_at": "2022-09-04T14:35:47.166543Z",
"updated_at": "2022-09-04T14:35:47.166571Z",
"structure_string": "Sr2 Mn2 Bi4\n1.0\n4.550579 -0.000000 -0.883904\n-0.171689 4.547339 -0.883904\n-0.116863 -0.121359 11.554118\nSr Mn Bi\n2 2 4\ndirect\n0.879635 0.879634 0.759270 Sr\n0.120366 0.120366 0.240731 Sr\n0.250000 0.750000 0.500000 Mn\n0.750000 0.250000 0.500000 Mn\n0.500000 0.000000 0.000000 Bi\n-0.000000 0.500000 0.000000 Bi\n0.323556 0.323555 0.647110 Bi\n0.676445 0.676445 0.352891 Bi\n",
"nsites": 8,
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"elements": [
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"density": 7.817817205756454,
"density_atomic": 0.033597440004205455,
"volume": 238.11338003724765,
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"formula_full": "Sr2 Mn2 Bi4",
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"formula_anonymous": "ABC2",
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"spacegroup": 139
},
{
"id": "jvasp-70570",
"created_at": "2022-09-04T14:36:06.389838Z",
"updated_at": "2022-09-04T14:36:06.389876Z",
"structure_string": "Sr1 Mn1 Be2\n1.0\n3.033255 0.000000 -0.000000\n0.000000 3.033255 0.000000\n0.000000 -0.000000 6.751543\nSr Mn Be\n1 1 2\ndirect\n0.499999 0.499999 0.500000 Sr\n0.499999 0.499999 0.000000 Mn\n0.000000 0.000000 0.846210 Be\n0.000000 0.000000 0.153789 Be\n",
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"elements": [
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"Mn",
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],
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"density": 4.292656959188164,
"density_atomic": 0.06439306674383805,
"volume": 62.11848887260477,
"volume_molar": 9.352157094732991,
"formula_full": "Sr1 Mn1 Be2",
"formula_reduced": "SrMnBe2",
"formula_anonymous": "ABC2",
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"spacegroup": 123
},
{
"id": "jvasp-70137",
"created_at": "2022-09-04T14:35:50.013062Z",
"updated_at": "2022-09-04T14:35:50.013087Z",
"structure_string": "Sr1 Mn1 Be2\n1.0\n-2.339580 2.339580 3.309708\n2.339580 -2.339580 3.309708\n2.339580 2.339580 -3.309708\nSr Mn Be\n1 1 2\ndirect\n0.750000 0.250000 0.500000 Sr\n0.500000 0.500000 -0.000000 Mn\n0.000000 0.000000 0.000000 Be\n0.250000 0.750000 0.500000 Be\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Be-Mn-Sr",
"density": 3.6797777996373453,
"density_atomic": 0.05519942071014078,
"volume": 72.46452858635078,
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"formula_full": "Sr1 Mn1 Be2",
"formula_reduced": "SrMnBe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.0523889378448272,
"spacegroup": 216
},
{
"id": "jvasp-67831",
"created_at": "2022-09-04T14:36:09.194799Z",
"updated_at": "2022-09-04T14:36:09.194826Z",
"structure_string": "Sr1 Mn1 Be1\n1.0\n-1.638929 1.638929 5.541450\n1.638929 -1.638929 5.541450\n1.638929 1.638929 -5.541450\nSr Mn Be\n1 1 1\ndirect\n0.664305 0.664305 0.000000 Sr\n0.387526 0.387526 0.000000 Mn\n0.948170 0.948170 0.000000 Be\n",
"nsites": 3,
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"elements": [
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],
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"density": 4.22726338896463,
"density_atomic": 0.05038689128585343,
"volume": 59.53929530957741,
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"formula_full": "Sr1 Mn1 Be1",
"formula_reduced": "SrMnBe",
"formula_anonymous": "ABC",
"energy_above_hull": 1.7965698837931037,
"spacegroup": 107
},
{
"id": "jvasp-15365",
"created_at": "2022-09-04T14:37:11.696381Z",
"updated_at": "2022-09-04T14:37:11.696402Z",
"structure_string": "Sr1 Mn2 As2\n1.0\n2.025022 -3.507440 -0.000000\n2.025022 3.507440 -0.000000\n-0.000000 -0.000000 7.309075\nSr Mn As\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.666667 0.333333 0.611903 Mn\n0.333333 0.666667 0.388096 Mn\n0.666667 0.333333 0.281343 As\n0.333333 0.666667 0.718656 As\n",
"nsites": 5,
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"elements": [
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"formula_full": "Sr1 Mn2 As2",
"formula_reduced": "Sr(MnAs)2",
"formula_anonymous": "AB2C2",
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"spacegroup": 164
},
{
"id": "jvasp-120709",
"created_at": "2022-09-04T14:38:51.832157Z",
"updated_at": "2022-09-04T14:38:51.832183Z",
"structure_string": "Sr1 Mn7 O12\n1.0\n6.060915 -0.000000 -2.142857\n-3.030458 5.248907 -2.142857\n-0.000000 -0.000000 6.428571\nSr Mn O\n1 7 12\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.000000 0.500000 Mn\n-0.000000 0.500000 0.500000 Mn\n0.500000 0.500000 -0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.500000 0.000000 -0.000000 Mn\n-0.000000 0.500000 -0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.311233 0.820054 0.131286 O\n0.688768 0.179947 0.868714 O\n0.491180 0.311233 0.179946 O\n0.508821 0.688768 0.820053 O\n0.131286 0.311233 0.820053 O\n0.820054 0.131286 0.311232 O\n0.179947 0.491180 0.311232 O\n0.820054 0.508821 0.688767 O\n0.688768 0.820054 0.508820 O\n0.179947 0.868715 0.688767 O\n0.868715 0.688768 0.179946 O\n0.311233 0.179947 0.491179 O\n",
"nsites": 20,
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"elements": [
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],
"chemical_system": "Mn-O-Sr",
"density": 5.392781153994922,
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"volume": 204.51328102945533,
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"formula_full": "Sr1 Mn7 O12",
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"formula_anonymous": "AB7C12",
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},
{
"id": "jvasp-51162",
"created_at": "2022-09-04T14:36:54.504591Z",
"updated_at": "2022-09-04T14:36:54.504600Z",
"structure_string": "Sr1 Mn2 Si1\n1.0\n-0.000000 3.430100 3.430100\n3.430100 -0.000000 3.430100\n3.430100 3.430100 0.000000\nSr Mn Si\n1 2 1\ndirect\n0.750000 0.750000 0.750000 Sr\n0.000000 0.000000 0.000000 Mn\n0.250000 0.250000 0.250000 Mn\n0.500000 0.500000 0.500000 Si\n",
"nsites": 4,
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"elements": [
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],
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"density": 4.640902139130846,
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"volume": 80.714273145802,
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"formula_full": "Sr1 Mn2 Si1",
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}
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}