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{
"id": "jvasp-91955",
"created_at": "2022-09-04T14:35:59.502272Z",
"updated_at": "2022-09-04T14:35:59.502297Z",
"structure_string": "Sr1 Mg6 Fe1\n1.0\n7.492548 -0.732901 0.000000\n-4.380985 6.122286 0.000000\n0.000000 0.000000 4.694360\nSr Mg Fe\n1 6 1\ndirect\n0.285872 0.214129 0.750000 Sr\n0.200176 0.808822 0.250000 Mg\n0.691179 0.299826 0.250000 Mg\n0.692714 0.807288 0.250000 Mg\n0.322159 0.672241 0.750000 Mg\n0.827760 0.177842 0.750000 Mg\n0.869097 0.630905 0.750000 Mg\n0.111049 0.388951 0.250000 Fe\n",
"nsites": 8,
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"elements": [
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"density": 2.3987540609381433,
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"volume": 200.26465284405603,
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"formula_full": "Sr1 Mg6 Fe1",
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{
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"created_at": "2022-09-04T14:35:49.815393Z",
"updated_at": "2022-09-04T14:35:49.815424Z",
"structure_string": "Sr1 Mg6 Mo1\n1.0\n6.387561 -1.711150 0.000000\n-4.675680 8.098516 0.000000\n0.000000 0.000000 4.268987\nSr Mg Mo\n1 6 1\ndirect\n0.249928 0.374964 0.250000 Sr\n0.750085 0.375111 0.250000 Mg\n0.750085 0.874974 0.250000 Mg\n0.250019 0.091492 0.750001 Mg\n0.250020 0.658529 0.750001 Mg\n0.682885 0.091444 0.750001 Mg\n0.817049 0.658524 0.750001 Mg\n0.249928 0.874965 0.250000 Mo\n",
"nsites": 8,
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"elements": [
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"density": 2.929984861474031,
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"volume": 186.6784263425184,
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"formula_full": "Sr1 Mg6 Mo1",
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{
"id": "jvasp-91897",
"created_at": "2022-09-04T14:36:19.728857Z",
"updated_at": "2022-09-04T14:36:19.728876Z",
"structure_string": "Sr1 Mg6 Nb1\n1.0\n6.318287 -1.693638 0.000000\n-4.625878 8.012255 0.000000\n0.000000 0.000000 4.522789\nSr Mg Nb\n1 6 1\ndirect\n0.249984 0.374991 0.250000 Sr\n0.750005 0.375021 0.250000 Mg\n0.750005 0.874981 0.250000 Mg\n0.250015 0.097612 0.750000 Mg\n0.250014 0.652402 0.750000 Mg\n0.695091 0.097546 0.750000 Mg\n0.804866 0.652432 0.750000 Mg\n0.250022 0.875010 0.250000 Nb\n",
"nsites": 8,
"nelements": 3,
"elements": [
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"chemical_system": "Mg-Nb-Sr",
"density": 2.8002775430113163,
"density_atomic": 0.041338037974091565,
"volume": 193.52635954841313,
"volume_molar": 14.568037224636425,
"formula_full": "Sr1 Mg6 Nb1",
"formula_reduced": "SrMg6Nb",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 123
},
{
"id": "jvasp-94194",
"created_at": "2022-09-04T14:35:56.831785Z",
"updated_at": "2022-09-04T14:35:56.831812Z",
"structure_string": "Sr1 Mg6 Ni1\n1.0\n7.399760 0.833776 0.000000\n-2.977808 5.157715 0.000000\n0.000000 0.000000 4.872238\nSr Mg Ni\n1 6 1\ndirect\n0.096553 0.798276 0.250000 Sr\n0.613777 0.302307 0.250000 Mg\n0.613777 0.811471 0.250000 Mg\n0.343060 0.184222 0.750000 Mg\n0.343060 0.658840 0.750000 Mg\n0.923775 0.211889 0.750000 Mg\n0.759437 0.629721 0.750000 Mg\n0.306562 0.403281 0.250000 Ni\n",
"nsites": 8,
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"elements": [
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],
"chemical_system": "Mg-Ni-Sr",
"density": 2.449459462492862,
"density_atomic": 0.04039383309468866,
"volume": 198.0500335595017,
"volume_molar": 14.908564745225538,
"formula_full": "Sr1 Mg6 Ni1",
"formula_reduced": "SrMg6Ni",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 38
},
{
"id": "jvasp-93107",
"created_at": "2022-09-04T14:36:19.655848Z",
"updated_at": "2022-09-04T14:36:19.655878Z",
"structure_string": "Sr1 Mg6 Si1\n1.0\n7.455725 0.828512 0.000000\n-3.010350 5.214079 0.000000\n0.000000 0.000000 4.881361\nSr Mg Si\n1 6 1\ndirect\n0.099918 0.799959 0.250000 Sr\n0.625508 0.306221 0.250000 Mg\n0.625508 0.819285 0.250000 Mg\n0.347851 0.176031 0.750000 Mg\n0.347851 0.671821 0.750000 Mg\n0.911637 0.205819 0.750000 Mg\n0.769159 0.634580 0.750000 Mg\n0.272570 0.386285 0.250000 Si\n",
"nsites": 8,
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"elements": [
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],
"chemical_system": "Mg-Si-Sr",
"density": 2.1506283504154826,
"density_atomic": 0.03961645483117776,
"volume": 201.93629223239023,
"volume_molar": 15.201109704699359,
"formula_full": "Sr1 Mg6 Si1",
"formula_reduced": "SrMg6Si",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 38
},
{
"id": "jvasp-94065",
"created_at": "2022-09-04T14:35:58.487374Z",
"updated_at": "2022-09-04T14:35:58.487403Z",
"structure_string": "Sr1 Mg6 V1\n1.0\n6.510345 0.001589 0.000000\n-3.253797 5.638918 0.000000\n0.000000 0.000000 5.107095\nSr Mg V\n1 6 1\ndirect\n0.416652 0.083349 0.750001 Sr\n0.067089 0.908452 0.250000 Mg\n0.591549 0.432911 0.250000 Mg\n0.591541 0.908460 0.250000 Mg\n0.392644 0.571339 0.750001 Mg\n0.928662 0.107357 0.750001 Mg\n0.928542 0.571459 0.750001 Mg\n0.083323 0.416677 0.250000 V\n",
"nsites": 8,
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"elements": [
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"Mg",
"V"
],
"chemical_system": "Mg-Sr-V",
"density": 2.5184354850158286,
"density_atomic": 0.042663365089281126,
"volume": 187.5145100077899,
"volume_molar": 14.115484672616743,
"formula_full": "Sr1 Mg6 V1",
"formula_reduced": "SrMg6V",
"formula_anonymous": "ABC6",
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"spacegroup": 187
},
{
"id": "jvasp-94082",
"created_at": "2022-09-04T14:35:46.684223Z",
"updated_at": "2022-09-04T14:35:46.684242Z",
"structure_string": "Sr1 Mg6 V1\n1.0\n6.980569 -1.870481 0.000000\n-5.110169 8.851071 0.000000\n0.000000 0.000000 3.767534\nSr Mg V\n1 6 1\ndirect\n0.250022 0.875010 0.250000 Sr\n0.749960 0.374994 0.250000 Mg\n0.749960 0.874965 0.250000 Mg\n0.249970 0.158870 0.749999 Mg\n0.249970 0.591101 0.749999 Mg\n0.817820 0.158912 0.749999 Mg\n0.682245 0.591123 0.749999 Mg\n0.250052 0.375024 0.250000 V\n",
"nsites": 8,
"nelements": 3,
"elements": [
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"Mg",
"V"
],
"chemical_system": "Mg-Sr-V",
"density": 2.4000104604932004,
"density_atomic": 0.0406571949542998,
"volume": 196.76714069901521,
"volume_molar": 14.81199272790243,
"formula_full": "Sr1 Mg6 V1",
"formula_reduced": "SrMg6V",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 123
},
{
"id": "jvasp-91898",
"created_at": "2022-09-04T14:35:42.604627Z",
"updated_at": "2022-09-04T14:35:42.604655Z",
"structure_string": "Sr1 Mg6 W1\n1.0\n6.303723 -1.689685 0.000000\n-4.615171 7.993711 0.000000\n0.000000 0.000000 4.332377\nSr Mg W\n1 6 1\ndirect\n0.249944 0.374972 0.250000 Sr\n0.750032 0.375039 0.250000 Mg\n0.750032 0.874992 0.250000 Mg\n0.250038 0.092728 0.750001 Mg\n0.250038 0.657311 0.750001 Mg\n0.685357 0.092680 0.750001 Mg\n0.814578 0.657290 0.750001 Mg\n0.249982 0.874990 0.250000 W\n",
"nsites": 8,
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"elements": [
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"Mg",
"W"
],
"chemical_system": "Mg-Sr-W",
"density": 3.7552016373253863,
"density_atomic": 0.04335469884247594,
"volume": 184.52440481865722,
"volume_molar": 13.8903992434147,
"formula_full": "Sr1 Mg6 W1",
"formula_reduced": "SrMg6W",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.3576375762499999,
"spacegroup": 123
},
{
"id": "jvasp-91871",
"created_at": "2022-09-04T14:36:06.724705Z",
"updated_at": "2022-09-04T14:36:06.724713Z",
"structure_string": "Sr1 Mg7\n1.0\n6.832477 -0.000000 0.000000\n-3.416239 5.917098 -0.000000\n-0.000000 0.000000 5.248951\nSr Mg\n1 7\ndirect\n0.166667 0.333333 0.250000 Sr\n0.177901 0.838950 0.250000 Mg\n0.661051 0.322099 0.250000 Mg\n0.661051 0.838950 0.250000 Mg\n0.343686 0.156314 0.750000 Mg\n0.343686 0.687372 0.750000 Mg\n0.812629 0.156314 0.750000 Mg\n0.833333 0.666667 0.750000 Mg\n",
"nsites": 8,
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"elements": [
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"chemical_system": "Mg-Sr",
"density": 2.016957452392101,
"density_atomic": 0.037699060547989424,
"volume": 212.20687952731114,
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"formula_full": "Sr1 Mg7",
"formula_reduced": "SrMg7",
"formula_anonymous": "AB7",
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"spacegroup": 187
},
{
"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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],
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"density": 4.22726338896463,
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"volume": 59.53929530957741,
"volume_molar": 11.951800570182764,
"formula_full": "Sr1 Mn1 Be1",
"formula_reduced": "SrMnBe",
"formula_anonymous": "ABC",
"energy_above_hull": 1.7965698837931037,
"spacegroup": 107
},
{
"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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],
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"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",
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"spacegroup": 216
},
{
"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",
"nsites": 4,
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],
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"volume": 62.11848887260477,
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"formula_full": "Sr1 Mn1 Be2",
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"formula_anonymous": "ABC2",
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"spacegroup": 123
}
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}