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{
"id": "mp-1017360",
"created_at": "2022-09-04T14:47:09.160493Z",
"structure_string": "Na2 Sr2 Mg12\n1.0\n5.406916 0.000000 0.000000\n0.000000 6.848417 0.000000\n0.000000 0.000000 11.967873\nNa Sr Mg\n2 2 12\ndirect\n0.000000 0.500000 0.339606 Na\n0.000000 0.000000 0.839606 Na\n0.500000 0.500000 0.166146 Sr\n0.500000 0.000000 0.666146 Sr\n0.000000 0.239702 0.079537 Mg\n0.000000 0.760298 0.079537 Mg\n0.000000 0.000000 0.332446 Mg\n0.500000 0.749802 0.419690 Mg\n0.500000 0.250198 0.419690 Mg\n0.500000 0.000000 0.163348 Mg\n0.000000 0.739702 0.579537 Mg\n0.000000 0.260298 0.579537 Mg\n0.000000 0.500000 0.832446 Mg\n0.500000 0.249802 0.919690 Mg\n0.500000 0.750198 0.919690 Mg\n0.500000 0.500000 0.663348 Mg\n",
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{
"id": "mp-1017362",
"created_at": "2022-09-04T14:47:23.449876Z",
"structure_string": "Mg12 Ga2 Si2\n1.0\n4.788295 0.000000 0.000000\n0.000000 6.468093 0.000000\n0.000000 0.000000 10.620608\nMg Ga Si\n12 2 2\ndirect\n0.500000 0.250016 0.084402 Mg\n0.500000 0.749984 0.084402 Mg\n0.000000 0.249218 0.912513 Mg\n0.000000 0.750782 0.912513 Mg\n0.000000 0.500000 0.170382 Mg\n0.000000 0.500000 0.668952 Mg\n0.500000 0.750016 0.584402 Mg\n0.500000 0.249984 0.584402 Mg\n0.000000 0.749218 0.412513 Mg\n0.000000 0.250782 0.412513 Mg\n0.000000 0.000000 0.670382 Mg\n0.000000 0.000000 0.168952 Mg\n0.500000 0.500000 0.833204 Ga\n0.500000 0.000000 0.333204 Ga\n0.500000 0.500000 0.333637 Si\n0.500000 0.000000 0.833637 Si\n",
"nsites": 16,
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"formula_full": "Mg12 Ga2 Si2",
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"spacegroup": 38
},
{
"id": "mp-1017366",
"created_at": "2022-09-04T14:46:02.590909Z",
"structure_string": "Mg12 Si2 C2\n1.0\n4.542694 0.000000 0.000000\n0.000000 6.145693 0.000000\n0.000000 0.000000 10.895674\nMg Si C\n12 2 2\ndirect\n0.000000 0.782382 0.613803 Mg\n0.000000 0.217618 0.613803 Mg\n0.000000 0.500000 0.843493 Mg\n0.500000 0.241112 0.915324 Mg\n0.500000 0.758888 0.915324 Mg\n0.500000 0.500000 0.663884 Mg\n0.000000 0.282382 0.113803 Mg\n0.000000 0.717618 0.113803 Mg\n0.000000 0.000000 0.343493 Mg\n0.500000 0.741112 0.415324 Mg\n0.500000 0.258888 0.415324 Mg\n0.500000 0.000000 0.163884 Mg\n0.000000 0.000000 0.875700 Si\n0.000000 0.500000 0.375700 Si\n0.500000 0.000000 0.558668 C\n0.500000 0.500000 0.058668 C\n",
"nsites": 16,
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"elements": [
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"chemical_system": "C-Mg-Si",
"density": 2.0299308344614504,
"density_atomic": 0.05259949043186232,
"volume": 304.1854563349143,
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"formula_full": "Mg12 Si2 C2",
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"spacegroup": 38
},
{
"id": "mp-1017367",
"created_at": "2022-09-04T14:47:15.200784Z",
"structure_string": "Mg12 Si2 W2\n1.0\n4.790818 0.000000 0.000000\n0.000000 6.074158 0.000000\n0.000000 0.000000 10.502552\nMg Si W\n12 2 2\ndirect\n0.000000 0.258104 0.915462 Mg\n0.000000 0.741896 0.915462 Mg\n0.000000 0.500000 0.168049 Mg\n0.500000 0.247280 0.078904 Mg\n0.500000 0.752720 0.078904 Mg\n0.500000 0.500000 0.330254 Mg\n0.000000 0.758104 0.415462 Mg\n0.000000 0.241896 0.415462 Mg\n0.000000 0.000000 0.668049 Mg\n0.500000 0.747280 0.578904 Mg\n0.500000 0.252720 0.578904 Mg\n0.500000 0.000000 0.830254 Mg\n0.000000 0.500000 0.695877 Si\n0.000000 0.000000 0.195877 Si\n0.500000 0.500000 0.817088 W\n0.500000 0.000000 0.317088 W\n",
"nsites": 16,
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"elements": [
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"density": 3.8875394990315617,
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"formula_full": "Mg12 Si2 W2",
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"formula_anonymous": "ABC6",
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"spacegroup": 38
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{
"id": "mp-1017370",
"created_at": "2022-09-04T14:42:41.873691Z",
"structure_string": "Mg12 Ga2 Si2\n1.0\n5.162721 0.000000 0.000000\n0.000000 6.027706 0.000000\n0.000000 0.000000 10.597634\nMg Ga Si\n12 2 2\ndirect\n0.000000 0.746620 0.086137 Mg\n0.000000 0.253380 0.086137 Mg\n0.000000 0.000000 0.333052 Mg\n0.500000 0.255740 0.412883 Mg\n0.500000 0.744260 0.412883 Mg\n0.500000 0.000000 0.167136 Mg\n0.000000 0.246620 0.586137 Mg\n0.000000 0.753380 0.586137 Mg\n0.000000 0.500000 0.833052 Mg\n0.500000 0.755740 0.912883 Mg\n0.500000 0.244260 0.912883 Mg\n0.500000 0.500000 0.667136 Mg\n0.500000 0.500000 0.167118 Ga\n0.500000 0.000000 0.667118 Ga\n0.000000 0.500000 0.334656 Si\n0.000000 0.000000 0.834656 Si\n",
"nsites": 16,
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"elements": [
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"chemical_system": "Ga-Mg-Si",
"density": 2.4534961234276556,
"density_atomic": 0.048515481796191334,
"volume": 329.7916336730282,
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"formula_full": "Mg12 Ga2 Si2",
"formula_reduced": "Mg6GaSi",
"formula_anonymous": "ABC6",
"energy": -35.586367239999994,
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{
"id": "mp-1017377",
"created_at": "2022-09-04T14:39:07.486883Z",
"structure_string": "Mg6 Si1 B1\n1.0\n3.891670 -4.938007 0.000000\n3.891670 4.938007 0.000000\n0.000000 0.000000 3.975708\nMg Si B\n6 1 1\ndirect\n0.813606 0.555797 0.000000 Mg\n0.444203 0.186394 0.000000 Mg\n0.371365 0.628635 0.000000 Mg\n0.663645 0.897773 0.500000 Mg\n0.102227 0.336355 0.500000 Mg\n0.140363 0.859637 0.500000 Mg\n0.946496 0.053504 0.000000 Si\n0.518093 0.481907 0.500000 B\n",
"nsites": 8,
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],
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"density": 2.007456374725569,
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"volume": 152.80310633311709,
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"formula_full": "Mg6 Si1 B1",
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"updated_at": "2021-11-28T01:34:44.640000Z",
"spacegroup": 38
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{
"id": "mp-1017379",
"created_at": "2022-09-04T14:43:22.024557Z",
"structure_string": "Mg12 Si2 W2\n1.0\n5.054251 0.000000 0.000000\n0.000000 5.618403 0.000000\n0.000000 0.000000 10.695765\nMg Si W\n12 2 2\ndirect\n0.500000 0.250725 0.423116 Mg\n0.500000 0.749275 0.423116 Mg\n0.000000 0.742171 0.081325 Mg\n0.000000 0.257829 0.081325 Mg\n0.000000 0.000000 0.323764 Mg\n0.000000 0.500000 0.321710 Mg\n0.500000 0.750725 0.923116 Mg\n0.500000 0.249275 0.923116 Mg\n0.000000 0.242171 0.581325 Mg\n0.000000 0.757829 0.581325 Mg\n0.000000 0.500000 0.823764 Mg\n0.000000 0.000000 0.821710 Mg\n0.500000 0.000000 0.170347 Si\n0.500000 0.500000 0.670347 Si\n0.500000 0.500000 0.175293 W\n0.500000 0.000000 0.675293 W\n",
"nsites": 16,
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"elements": [
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"chemical_system": "Mg-Si-W",
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"volume": 303.72570256995186,
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"formula_full": "Mg12 Si2 W2",
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{
"id": "mp-1017381",
"created_at": "2022-09-04T14:41:11.452681Z",
"structure_string": "Mg12 Cr2 Si2\n1.0\n4.835217 0.000000 0.000000\n0.000000 6.215179 0.000000\n0.000000 0.000000 10.617963\nMg Cr Si\n12 2 2\ndirect\n0.000000 0.256988 0.087859 Mg\n0.000000 0.743012 0.087859 Mg\n0.000000 0.500000 0.832220 Mg\n0.500000 0.244351 0.914172 Mg\n0.500000 0.755649 0.914172 Mg\n0.500000 0.500000 0.665117 Mg\n0.000000 0.756988 0.587859 Mg\n0.000000 0.243012 0.587859 Mg\n0.000000 0.000000 0.332220 Mg\n0.500000 0.744351 0.414172 Mg\n0.500000 0.255649 0.414172 Mg\n0.500000 0.000000 0.165117 Mg\n0.500000 0.500000 0.176729 Cr\n0.500000 0.000000 0.676729 Cr\n0.000000 0.500000 0.321872 Si\n0.000000 0.000000 0.821872 Si\n",
"nsites": 16,
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{
"id": "mp-1017385",
"created_at": "2022-09-04T14:39:23.045898Z",
"structure_string": "Mg12 Cd2 Si2\n1.0\n4.910515 0.000000 0.000000\n0.000000 6.469040 0.000000\n0.000000 0.000000 10.618728\nMg Cd Si\n12 2 2\ndirect\n0.500000 0.250122 0.084289 Mg\n0.500000 0.749878 0.084289 Mg\n0.000000 0.246421 0.914303 Mg\n0.000000 0.753579 0.914303 Mg\n0.000000 0.500000 0.169145 Mg\n0.000000 0.500000 0.666817 Mg\n0.500000 0.750122 0.584289 Mg\n0.500000 0.249878 0.584289 Mg\n0.000000 0.746421 0.414303 Mg\n0.000000 0.253579 0.414303 Mg\n0.000000 0.000000 0.669145 Mg\n0.000000 0.000000 0.166817 Mg\n0.500000 0.500000 0.833905 Cd\n0.500000 0.000000 0.333905 Cd\n0.500000 0.500000 0.332954 Si\n0.500000 0.000000 0.832954 Si\n",
"nsites": 16,
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"formula_full": "Mg12 Cd2 Si2",
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{
"id": "mp-1017387",
"created_at": "2022-09-04T14:39:13.864468Z",
"structure_string": "Rb1 Mg6 B1\n1.0\n4.229561 -7.180633 0.000000\n4.229561 7.180633 0.000000\n0.000000 0.000000 3.424241\nRb Mg B\n1 6 1\ndirect\n0.339566 0.660434 0.500000 Rb\n0.943833 0.687714 0.500000 Mg\n0.312286 0.056167 0.500000 Mg\n0.791660 0.208340 0.500000 Mg\n0.792523 0.871963 0.000000 Mg\n0.128037 0.207477 0.000000 Mg\n0.595051 0.404949 0.000000 Mg\n0.097045 0.902955 0.000000 B\n",
"nsites": 8,
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"elements": [
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"formula_full": "Rb1 Mg6 B1",
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"spacegroup": 38
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{
"id": "mp-1017390",
"created_at": "2022-09-04T14:45:38.013994Z",
"structure_string": "Rb2 Na2 Mg12\n1.0\n5.479482 0.000000 0.000000\n0.000000 6.512223 0.000000\n0.000000 0.000000 13.127831\nRb Na Mg\n2 2 12\ndirect\n0.500000 0.500000 0.178970 Rb\n0.500000 0.000000 0.678970 Rb\n0.500000 0.000000 0.171554 Na\n0.500000 0.500000 0.671554 Na\n0.500000 0.250130 0.423565 Mg\n0.500000 0.749870 0.423565 Mg\n0.000000 0.758330 0.057727 Mg\n0.000000 0.241670 0.057727 Mg\n0.000000 0.000000 0.335254 Mg\n0.000000 0.500000 0.351634 Mg\n0.500000 0.750130 0.923565 Mg\n0.500000 0.249870 0.923565 Mg\n0.000000 0.258330 0.557727 Mg\n0.000000 0.741670 0.557727 Mg\n0.000000 0.500000 0.835254 Mg\n0.000000 0.000000 0.851634 Mg\n",
"nsites": 16,
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"elements": [
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{
"id": "mp-1017401",
"created_at": "2022-09-04T14:43:24.696246Z",
"structure_string": "Mg12 Cd2 Si2\n1.0\n5.083572 0.000000 0.000000\n0.000000 6.139356 0.000000\n0.000000 0.000000 10.855478\nMg Cd Si\n12 2 2\ndirect\n0.000000 0.249052 0.586166 Mg\n0.000000 0.750948 0.586166 Mg\n0.000000 0.500000 0.833993 Mg\n0.500000 0.756300 0.910733 Mg\n0.500000 0.243700 0.910733 Mg\n0.500000 0.500000 0.667126 Mg\n0.000000 0.749052 0.086166 Mg\n0.000000 0.250948 0.086166 Mg\n0.000000 0.000000 0.333993 Mg\n0.500000 0.256300 0.410733 Mg\n0.500000 0.743700 0.410733 Mg\n0.500000 0.000000 0.167126 Mg\n0.500000 0.000000 0.656484 Cd\n0.500000 0.500000 0.156484 Cd\n0.000000 0.000000 0.848599 Si\n0.000000 0.500000 0.348599 Si\n",
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"formula_full": "Mg12 Cd2 Si2",
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"updated_at": "2021-11-28T01:36:13.476000Z",
"spacegroup": 38
}
]
}