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{
"id": "jvasp-93167",
"created_at": "2022-09-04T14:36:01.822557Z",
"updated_at": "2022-09-04T14:36:01.822590Z",
"structure_string": "Li1 Mg6 Nb1\n1.0\n6.241397 -0.000144 0.000000\n-3.120823 5.405136 0.000000\n0.000000 0.000000 4.945842\nLi Mg Nb\n1 6 1\ndirect\n0.083232 0.416769 0.250000 Li\n0.098176 0.924121 0.250000 Mg\n0.575881 0.401826 0.250000 Mg\n0.575957 0.924046 0.250000 Mg\n0.415756 0.582840 0.750000 Mg\n0.917162 0.084245 0.750000 Mg\n0.917127 0.582876 0.750000 Mg\n0.416717 0.083284 0.750000 Nb\n",
"nsites": 8,
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"formula_full": "Li1 Mg6 Nb1",
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{
"id": "jvasp-93166",
"created_at": "2022-09-04T14:35:59.694137Z",
"updated_at": "2022-09-04T14:35:59.694172Z",
"structure_string": "Li1 Mg6 Si1\n1.0\n6.211454 0.006425 0.000000\n-3.100162 5.369638 0.000000\n0.000000 0.000000 4.968942\nLi Mg Si\n1 6 1\ndirect\n0.166104 0.333052 0.250000 Li\n0.669486 0.332618 0.250000 Mg\n0.669486 0.836867 0.250000 Mg\n0.326812 0.162498 0.750000 Mg\n0.326812 0.664316 0.750000 Mg\n0.836294 0.168148 0.750000 Mg\n0.836674 0.668338 0.750000 Mg\n0.168335 0.834167 0.250000 Si\n",
"nsites": 8,
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{
"id": "jvasp-93165",
"created_at": "2022-09-04T14:35:57.929377Z",
"updated_at": "2022-09-04T14:35:57.929402Z",
"structure_string": "Na1 Li1 Mg6\n1.0\n6.511028 -0.017102 0.000000\n-3.270326 5.630165 0.000000\n0.000000 0.000000 5.148777\nNa Li Mg\n1 1 6\ndirect\n0.328707 0.171293 0.750000 Na\n0.162330 0.337669 0.250000 Li\n0.166997 0.825432 0.250000 Mg\n0.674568 0.333002 0.250000 Mg\n0.667948 0.832051 0.250000 Mg\n0.329178 0.663793 0.750000 Mg\n0.836207 0.170822 0.750000 Mg\n0.834060 0.665939 0.750000 Mg\n",
"nsites": 8,
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"elements": [
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],
"chemical_system": "Li-Mg-Na",
"density": 1.5486717646738666,
"density_atomic": 0.042450061634717026,
"volume": 188.4567346177265,
"volume_molar": 14.186412287973921,
"formula_full": "Na1 Li1 Mg6",
"formula_reduced": "NaLiMg6",
"formula_anonymous": "ABC6",
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"spacegroup": 38
},
{
"id": "jvasp-93164",
"created_at": "2022-09-04T14:35:55.641931Z",
"updated_at": "2022-09-04T14:35:55.641952Z",
"structure_string": "Na1 Li1 Mg6\n1.0\n6.518276 0.058733 0.000000\n-3.208274 5.556893 0.000000\n0.000000 0.000000 5.171181\nNa Li Mg\n1 1 6\ndirect\n0.162594 0.831295 0.250000 Na\n0.165604 0.332801 0.250000 Li\n0.662339 0.331179 0.250000 Mg\n0.662339 0.831158 0.250000 Mg\n0.337347 0.174937 0.750000 Mg\n0.337347 0.662409 0.750000 Mg\n0.842318 0.171159 0.750000 Mg\n0.830115 0.665057 0.750000 Mg\n",
"nsites": 8,
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"elements": [
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],
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"density": 1.5501120180089807,
"density_atomic": 0.04248953987939083,
"volume": 188.28163408472983,
"volume_molar": 14.173231287263212,
"formula_full": "Na1 Li1 Mg6",
"formula_reduced": "NaLiMg6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0002449999999999,
"spacegroup": 38
},
{
"id": "jvasp-93163",
"created_at": "2022-09-04T14:35:53.081947Z",
"updated_at": "2022-09-04T14:35:53.081976Z",
"structure_string": "Li1 Mg6 Bi1\n1.0\n6.468075 0.021208 0.000000\n-3.215671 5.612120 0.000000\n0.000000 0.000000 5.112544\nLi Mg Bi\n1 6 1\ndirect\n0.164034 0.335966 0.250000 Li\n0.160680 0.814007 0.250000 Mg\n0.685993 0.339320 0.250000 Mg\n0.664517 0.835482 0.250000 Mg\n0.333203 0.666110 0.749999 Mg\n0.833889 0.166798 0.749999 Mg\n0.830795 0.669205 0.749999 Mg\n0.326887 0.173113 0.749999 Bi\n",
"nsites": 8,
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"elements": [
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"Mg",
"Bi"
],
"chemical_system": "Bi-Li-Mg",
"density": 3.230762978845626,
"density_atomic": 0.04302647492732054,
"volume": 185.93203402122623,
"volume_molar": 13.996361008361664,
"formula_full": "Li1 Mg6 Bi1",
"formula_reduced": "LiMg6Bi",
"formula_anonymous": "ABC6",
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"spacegroup": 38
},
{
"id": "jvasp-93162",
"created_at": "2022-09-04T14:35:51.385214Z",
"updated_at": "2022-09-04T14:35:51.385239Z",
"structure_string": "Li1 Mg6 C1\n1.0\n7.654925 -0.477772 0.000000\n-4.241226 7.346016 0.000000\n0.000000 0.000000 3.055494\nLi Mg C\n1 6 1\ndirect\n0.387054 0.443526 0.250000 Li\n0.652084 0.271787 0.250000 Mg\n0.652084 0.880297 0.250000 Mg\n0.205595 0.025970 0.749999 Mg\n0.205595 0.679626 0.749999 Mg\n0.981450 0.240726 0.749999 Mg\n0.827046 0.663523 0.749999 Mg\n0.089098 0.794548 0.250000 C\n",
"nsites": 8,
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"elements": [
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"Mg",
"C"
],
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"density": 1.6520468919959477,
"density_atomic": 0.048300795193438245,
"volume": 165.6287431285772,
"volume_molar": 12.467995062777185,
"formula_full": "Li1 Mg6 C1",
"formula_reduced": "LiMg6C",
"formula_anonymous": "ABC6",
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"spacegroup": 38
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{
"id": "jvasp-93161",
"created_at": "2022-09-04T14:35:49.524879Z",
"updated_at": "2022-09-04T14:35:49.524907Z",
"structure_string": "Li1 Mg6 Ga1\n1.0\n6.256828 0.000131 0.000000\n-3.128300 5.418375 0.000000\n0.000000 0.000000 4.996591\nLi Mg Ga\n1 6 1\ndirect\n0.166120 0.333059 0.250000 Li\n0.668869 0.332871 0.250000 Mg\n0.668869 0.835997 0.250000 Mg\n0.327156 0.163860 0.750000 Mg\n0.327156 0.663296 0.750000 Mg\n0.836197 0.168098 0.750000 Mg\n0.835704 0.667852 0.750000 Mg\n0.169928 0.834963 0.250000 Ga\n",
"nsites": 8,
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"elements": [
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"Mg",
"Ga"
],
"chemical_system": "Ga-Li-Mg",
"density": 2.181047254032772,
"density_atomic": 0.04722670659895858,
"volume": 169.39567833799387,
"volume_molar": 12.751557738588525,
"formula_full": "Li1 Mg6 Ga1",
"formula_reduced": "LiMg6Ga",
"formula_anonymous": "ABC6",
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"spacegroup": 38
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{
"id": "jvasp-93160",
"created_at": "2022-09-04T14:35:47.315839Z",
"updated_at": "2022-09-04T14:35:47.315865Z",
"structure_string": "Li1 Mg6 Sb1\n1.0\n6.372989 0.023311 0.000000\n-3.166308 5.530825 0.000000\n0.000000 0.000000 5.073898\nLi Mg Sb\n1 6 1\ndirect\n0.166690 0.333310 0.250000 Li\n0.163104 0.821549 0.250000 Mg\n0.678451 0.336896 0.250000 Mg\n0.664122 0.835879 0.250000 Mg\n0.332910 0.663809 0.750000 Mg\n0.836192 0.167090 0.750000 Mg\n0.831604 0.668396 0.750000 Mg\n0.326924 0.173076 0.750000 Sb\n",
"nsites": 8,
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"elements": [
"Li",
"Mg",
"Sb"
],
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"density": 2.5436491035442677,
"density_atomic": 0.04463820246423185,
"volume": 179.2186862006892,
"volume_molar": 13.491001939035252,
"formula_full": "Li1 Mg6 Sb1",
"formula_reduced": "LiMg6Sb",
"formula_anonymous": "ABC6",
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"spacegroup": 38
},
{
"id": "jvasp-9316",
"created_at": "2022-09-04T14:37:18.181490Z",
"updated_at": "2022-09-04T14:37:18.181515Z",
"structure_string": "Ba1 Bi4 O8\n1.0\n3.217721 -5.573256 0.000000\n3.217721 5.573256 0.000000\n0.000000 0.000000 7.630499\nBa Bi O\n1 4 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.333333 0.666667 0.272534 Bi\n0.666667 0.333333 0.272534 Bi\n0.333333 0.666667 0.727466 Bi\n0.666667 0.333333 0.727466 Bi\n0.681102 0.681102 0.263838 O\n-0.000000 0.318898 0.263838 O\n0.318898 -0.000000 0.263838 O\n0.318898 0.318898 0.736162 O\n0.681102 -0.000000 0.736162 O\n-0.000000 0.681102 0.736162 O\n0.333333 0.666667 0.000000 O\n0.666667 0.333333 0.000000 O\n",
"nsites": 13,
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"elements": [
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"Bi",
"O"
],
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"density": 6.681781369566265,
"density_atomic": 0.04750103140982316,
"volume": 273.6782679062336,
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"formula_full": "Ba1 Bi4 O8",
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"formula_anonymous": "AB4C8",
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"spacegroup": 162
},
{
"id": "jvasp-93159",
"created_at": "2022-09-04T14:35:44.657545Z",
"updated_at": "2022-09-04T14:35:44.657574Z",
"structure_string": "Li1 Mg6 Cd1\n1.0\n6.311702 0.007868 0.000000\n-3.149037 5.470028 0.000000\n0.000000 0.000000 5.029554\nLi Mg Cd\n1 6 1\ndirect\n0.168605 0.331395 0.250000 Li\n0.168048 0.836709 0.250000 Mg\n0.663291 0.331952 0.250000 Mg\n0.665395 0.834606 0.250000 Mg\n0.332773 0.660494 0.749999 Mg\n0.839507 0.167227 0.749999 Mg\n0.833124 0.666877 0.749999 Mg\n0.329254 0.170746 0.749999 Cd\n",
"nsites": 8,
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"elements": [
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],
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"density": 2.5340552151139972,
"density_atomic": 0.04603762609619733,
"volume": 173.77090606895547,
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"formula_full": "Li1 Mg6 Cd1",
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"formula_anonymous": "ABC6",
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"spacegroup": 38
},
{
"id": "jvasp-93158",
"created_at": "2022-09-04T14:35:41.466097Z",
"updated_at": "2022-09-04T14:35:41.466128Z",
"structure_string": "Li1 Mg6 Cr1\n1.0\n6.209720 0.047956 0.000000\n-3.063328 5.401753 0.000000\n0.000000 0.000000 5.023791\nLi Mg Cr\n1 6 1\ndirect\n0.167007 0.332993 0.250000 Li\n0.168081 0.850895 0.250000 Mg\n0.649105 0.331919 0.250000 Mg\n0.662525 0.837475 0.250000 Mg\n0.332158 0.654795 0.750000 Mg\n0.845205 0.167842 0.750000 Mg\n0.837002 0.662998 0.750000 Mg\n0.338918 0.161082 0.750000 Cr\n",
"nsites": 8,
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"elements": [
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],
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"density": 2.008968426159225,
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"volume": 169.25291840173475,
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"formula_full": "Li1 Mg6 Cr1",
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{
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"created_at": "2022-09-04T14:36:20.893811Z",
"updated_at": "2022-09-04T14:36:20.893833Z",
"structure_string": "Li1 Mg6 Cd1\n1.0\n6.321184 -0.001778 0.000000\n-3.162132 5.476971 0.000000\n0.000000 0.000000 5.018201\nLi Mg Cd\n1 6 1\ndirect\n0.165081 0.332540 0.250000 Li\n0.668643 0.332083 0.250000 Mg\n0.668643 0.836559 0.250000 Mg\n0.328759 0.167468 0.750000 Mg\n0.328759 0.661292 0.750000 Mg\n0.837613 0.168806 0.750000 Mg\n0.833153 0.666577 0.750000 Mg\n0.169345 0.834672 0.250000 Cd\n",
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]
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