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{
"id": "mp-1016334",
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"structure_string": "Sr1 Mg6 B1\n1.0\n2.940377 -7.015284 0.000000\n2.940377 7.015284 0.000000\n0.000000 0.000000 4.665520\nSr Mg B\n1 6 1\ndirect\n0.798990 0.201010 0.500000 Sr\n0.301240 0.191594 0.500000 Mg\n0.808406 0.698760 0.500000 Mg\n0.186593 0.348400 0.000000 Mg\n0.651600 0.813407 0.000000 Mg\n0.632252 0.367748 0.000000 Mg\n0.203394 0.796606 0.000000 Mg\n0.417524 0.582476 0.500000 B\n",
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{
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},
{
"id": "mp-1016332",
"created_at": "2022-09-04T14:39:40.940890Z",
"structure_string": "Sr2 Mg12 Ga2\n1.0\n5.068709 0.000000 0.000000\n0.000000 6.843617 0.000000\n0.000000 0.000000 11.683176\nSr Mg Ga\n2 12 2\ndirect\n0.000000 0.500000 0.326798 Sr\n0.000000 0.000000 0.826798 Sr\n0.000000 0.261544 0.079635 Mg\n0.000000 0.738456 0.079635 Mg\n0.000000 0.500000 0.836946 Mg\n0.500000 0.273764 0.926923 Mg\n0.500000 0.726236 0.926923 Mg\n0.500000 0.500000 0.666885 Mg\n0.000000 0.761544 0.579635 Mg\n0.000000 0.238456 0.579635 Mg\n0.000000 0.000000 0.336946 Mg\n0.500000 0.773764 0.426923 Mg\n0.500000 0.226236 0.426923 Mg\n0.500000 0.000000 0.166885 Mg\n0.500000 0.500000 0.156254 Ga\n0.500000 0.000000 0.656254 Ga\n",
"nsites": 16,
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"elements": [
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],
"chemical_system": "Ga-Mg-Sr",
"density": 2.4844235664915577,
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"volume": 405.26955003027456,
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"formula_full": "Sr2 Mg12 Ga2",
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"updated_at": "2021-11-28T01:34:38.749000Z",
"spacegroup": 38
},
{
"id": "mp-1016331",
"created_at": "2022-09-04T14:42:46.310642Z",
"structure_string": "Mg7 Nb1\n1.0\n3.155071 -5.464744 0.000000\n3.155071 5.464744 0.000000\n0.000000 0.000000 5.004941\nMg Nb\n7 1\ndirect\n0.831926 0.663852 0.500000 Mg\n0.336148 0.168074 0.500000 Mg\n0.831926 0.168074 0.500000 Mg\n0.492457 0.507543 0.000000 Mg\n0.015086 0.507543 0.000000 Mg\n0.492457 0.984914 0.000000 Mg\n0.000000 0.000000 0.000000 Mg\n0.333333 0.666667 0.500000 Nb\n",
"nsites": 8,
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"formula_full": "Mg7 Nb1",
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"updated_at": "2021-11-28T01:35:49.656000Z",
"spacegroup": 187
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{
"id": "mp-1016330",
"created_at": "2022-09-04T14:40:26.665487Z",
"structure_string": "Sr1 Mg6 W1\n1.0\n6.489602 0.000000 0.000000\n0.000000 6.489602 0.000000\n0.000000 0.000000 4.416497\nSr Mg W\n1 6 1\ndirect\n0.500000 0.500000 0.500000 Sr\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.217396 0.782604 0.000000 Mg\n0.782604 0.217396 0.000000 Mg\n0.217396 0.217396 0.000000 Mg\n0.782604 0.782604 0.000000 Mg\n0.000000 0.000000 0.500000 W\n",
"nsites": 8,
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"elements": [
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"density": 3.725400850561961,
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"formula_full": "Sr1 Mg6 W1",
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"formula_anonymous": "ABC6",
"energy": -21.79437053,
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"updated_at": "2021-11-28T01:34:49.250000Z",
"spacegroup": 123
},
{
"id": "mp-1016329",
"created_at": "2022-09-04T14:42:37.799964Z",
"structure_string": "Sr1 Mg6 Nb1\n1.0\n6.480780 0.000000 0.000000\n0.000000 6.480780 0.000000\n0.000000 0.000000 4.597241\nSr Mg Nb\n1 6 1\ndirect\n0.000000 0.000000 0.500000 Sr\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.722379 0.277621 0.000000 Mg\n0.277621 0.722379 0.000000 Mg\n0.722379 0.722379 0.000000 Mg\n0.277621 0.277621 0.000000 Mg\n0.500000 0.500000 0.500000 Nb\n",
"nsites": 8,
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],
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"density": 2.8066572236782426,
"density_atomic": 0.04143221559670978,
"volume": 193.08646387318223,
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"formula_full": "Sr1 Mg6 Nb1",
"formula_reduced": "SrMg6Nb",
"formula_anonymous": "ABC6",
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"updated_at": "2021-11-28T01:36:03.278000Z",
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},
{
"id": "mp-1016327",
"created_at": "2022-09-04T14:44:06.480248Z",
"structure_string": "Mg7 Bi1\n1.0\n3.199427 -5.541569 0.000000\n3.199427 5.541569 0.000000\n0.000000 0.000000 5.386123\nMg Bi\n7 1\ndirect\n0.500596 0.001191 0.500000 Mg\n0.998809 0.499404 0.500000 Mg\n0.500596 0.499404 0.500000 Mg\n0.168785 0.831215 0.000000 Mg\n0.662430 0.831215 0.000000 Mg\n0.168785 0.337570 0.000000 Mg\n0.666667 0.333333 0.000000 Mg\n0.000000 0.000000 0.500000 Bi\n",
"nsites": 8,
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"elements": [
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],
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"density": 3.2961677843194117,
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"volume": 190.99025706292176,
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"formula_full": "Mg7 Bi1",
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"updated_at": "2021-11-28T01:36:29.339000Z",
"spacegroup": 187
},
{
"id": "mp-1016326",
"created_at": "2022-09-04T14:44:26.789460Z",
"structure_string": "Mg7 Cr1\n1.0\n3.145956 -5.448956 0.000000\n3.145956 5.448956 0.000000\n0.000000 0.000000 5.070689\nMg Cr\n7 1\ndirect\n0.832866 0.665732 0.500000 Mg\n0.334268 0.167134 0.500000 Mg\n0.832866 0.167134 0.500000 Mg\n0.496695 0.503305 0.000000 Mg\n0.006610 0.503305 0.000000 Mg\n0.496695 0.993390 0.000000 Mg\n0.000000 0.000000 0.000000 Mg\n0.333333 0.666667 0.500000 Cr\n",
"nsites": 8,
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"elements": [
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],
"chemical_system": "Cr-Mg",
"density": 2.1217565376105116,
"density_atomic": 0.04601792916833842,
"volume": 173.84528475271367,
"volume_molar": 13.086509690539042,
"formula_full": "Mg7 Cr1",
"formula_reduced": "Mg7Cr",
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"updated_at": "2021-11-28T01:36:39.239000Z",
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},
{
"id": "mp-1016325",
"created_at": "2022-09-04T14:44:24.592182Z",
"structure_string": "Rb1 Mg7\n1.0\n3.462617 -5.997428 0.000000\n3.462617 5.997428 0.000000\n0.000000 0.000000 5.408642\nRb Mg\n1 7\ndirect\n0.666667 0.333333 0.500000 Rb\n0.162891 0.325783 0.500000 Mg\n0.674217 0.837109 0.500000 Mg\n0.162891 0.837109 0.500000 Mg\n0.847814 0.152186 0.000000 Mg\n0.304371 0.152186 0.000000 Mg\n0.847814 0.695629 0.000000 Mg\n0.333333 0.666667 0.000000 Mg\n",
"nsites": 8,
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"density": 1.8894133199174088,
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"spacegroup": 187
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{
"id": "mp-1016323",
"created_at": "2022-09-04T14:43:59.771449Z",
"structure_string": "Na1 Mg7\n1.0\n3.226928 -5.589202 0.000000\n3.226928 5.589202 0.000000\n0.000000 0.000000 5.299589\nNa Mg\n1 7\ndirect\n0.000000 0.000000 0.000000 Na\n0.000711 0.500356 0.000000 Mg\n0.499644 0.500356 0.000000 Mg\n0.499644 0.999289 0.000000 Mg\n0.167370 0.334740 0.500000 Mg\n0.167370 0.832630 0.500000 Mg\n0.665260 0.832630 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n",
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"elements": [
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"density": 1.67755129473203,
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"volume": 191.16627022053495,
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"updated_at": "2021-11-28T01:36:08.259000Z",
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{
"id": "mp-1016322",
"created_at": "2022-09-04T14:44:15.130883Z",
"structure_string": "Sr2 Mg12 Cd2\n1.0\n5.223789 0.000000 0.000000\n0.000000 6.811949 0.000000\n0.000000 0.000000 11.760569\nSr Mg Cd\n2 12 2\ndirect\n0.000000 0.500000 0.669657 Sr\n0.000000 0.000000 0.169657 Sr\n0.000000 0.255509 0.919629 Mg\n0.000000 0.744491 0.919629 Mg\n0.000000 0.500000 0.161767 Mg\n0.500000 0.266135 0.076830 Mg\n0.500000 0.733865 0.076830 Mg\n0.500000 0.500000 0.332869 Mg\n0.000000 0.755509 0.419629 Mg\n0.000000 0.244491 0.419629 Mg\n0.000000 0.000000 0.661767 Mg\n0.500000 0.766135 0.576830 Mg\n0.500000 0.233865 0.576830 Mg\n0.500000 0.000000 0.832869 Mg\n0.500000 0.500000 0.842789 Cd\n0.500000 0.000000 0.342789 Cd\n",
"nsites": 16,
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"elements": [
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],
"chemical_system": "Cd-Mg-Sr",
"density": 2.744702875629348,
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"volume": 418.4902542368303,
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"formula_full": "Sr2 Mg12 Cd2",
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"updated_at": "2021-11-28T01:36:35.450000Z",
"spacegroup": 38
},
{
"id": "mp-1016321",
"created_at": "2022-09-04T14:47:07.352438Z",
"structure_string": "Sr2 Mg12 Nb2\n1.0\n5.187434 0.000000 0.000000\n0.000000 6.696625 0.000000\n0.000000 0.000000 11.333304\nSr Mg Nb\n2 12 2\ndirect\n0.000000 0.500000 0.342196 Sr\n0.000000 0.000000 0.842196 Sr\n0.000000 0.274419 0.089965 Mg\n0.000000 0.725581 0.089965 Mg\n0.000000 0.500000 0.830444 Mg\n0.500000 0.269032 0.919274 Mg\n0.500000 0.730968 0.919274 Mg\n0.500000 0.500000 0.657870 Mg\n0.000000 0.774419 0.589965 Mg\n0.000000 0.225581 0.589965 Mg\n0.000000 0.000000 0.330444 Mg\n0.500000 0.769032 0.419274 Mg\n0.500000 0.230968 0.419274 Mg\n0.500000 0.000000 0.157870 Mg\n0.500000 0.500000 0.151012 Nb\n0.500000 0.000000 0.651012 Nb\n",
"nsites": 16,
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"elements": [
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"density": 2.7529992814360007,
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"updated_at": "2021-11-28T01:37:51.770000Z",
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}
]
}