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{
"id": "jvasp-117105",
"created_at": "2022-09-04T14:38:48.594982Z",
"updated_at": "2022-09-04T14:38:48.595014Z",
"structure_string": "Mg6 Si6\n1.0\n6.066636 0.651597 0.786882\n4.432636 4.192898 0.786882\n0.248535 0.114677 10.155927\nMg Si\n6 6\ndirect\n0.071803 0.071803 0.867890 Mg\n0.928198 0.928199 0.132110 Mg\n0.496176 0.496176 0.350169 Mg\n0.503825 0.503825 0.649830 Mg\n0.215083 0.215084 0.148957 Mg\n0.784917 0.784918 0.851043 Mg\n0.215410 0.215410 0.642819 Si\n0.150288 0.150288 0.424482 Si\n0.411968 0.411968 0.942930 Si\n0.588033 0.588034 0.057070 Si\n0.784591 0.784592 0.357181 Si\n0.849713 0.849713 0.575517 Si\n",
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{
"id": "jvasp-107395",
"created_at": "2022-09-04T14:38:44.952550Z",
"updated_at": "2022-09-04T14:38:44.952578Z",
"structure_string": "Mg2 Si4\n1.0\n4.629184 0.031471 2.936454\n3.152297 3.390186 2.936454\n-0.038647 -0.016994 6.957479\nMg Si\n2 4\ndirect\n0.576607 0.576609 0.635834 Mg\n0.423391 0.423393 0.364165 Mg\n0.196520 0.196521 0.263131 Si\n0.803478 0.803481 0.736868 Si\n0.128961 0.128964 0.957485 Si\n0.871036 0.871038 0.042514 Si\n",
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},
{
"id": "jvasp-91892",
"created_at": "2022-09-04T14:37:40.677322Z",
"updated_at": "2022-09-04T14:37:40.677336Z",
"structure_string": "Mg7 Si1\n1.0\n6.227290 0.000000 -0.000000\n-3.113645 5.392991 0.000000\n0.000000 -0.000000 5.065663\nMg Si\n7 1\ndirect\n0.165304 0.832651 0.250000 Mg\n0.667348 0.334695 0.250000 Mg\n0.667348 0.832651 0.250000 Mg\n0.330694 0.169306 0.750000 Mg\n0.330693 0.661388 0.750000 Mg\n0.838612 0.169306 0.750000 Mg\n0.833332 0.666667 0.750000 Mg\n0.166667 0.333333 0.250000 Si\n",
"nsites": 8,
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"elements": [
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"density": 1.934784430452285,
"density_atomic": 0.047024577919908855,
"volume": 170.1238023576822,
"volume_molar": 12.806368555304777,
"formula_full": "Mg7 Si1",
"formula_reduced": "Mg7Si",
"formula_anonymous": "AB7",
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"spacegroup": 187
},
{
"id": "jvasp-35355",
"created_at": "2022-09-04T14:37:36.371833Z",
"updated_at": "2022-09-04T14:37:36.371850Z",
"structure_string": "Mg2 Si4\n1.0\n-3.917375 -0.000000 0.000000\n-1.958688 -3.269251 4.090656\n-1.958688 3.269251 4.090656\nMg Si\n2 4\ndirect\n0.416848 0.333153 0.833152 Mg\n0.583151 0.666848 0.166848 Mg\n0.853309 0.088410 0.204972 Si\n0.146690 0.911591 0.795029 Si\n0.853309 0.704973 0.588410 Si\n0.146690 0.295028 0.411591 Si\n",
"nsites": 6,
"nelements": 2,
"elements": [
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"density": 2.5508158525700613,
"density_atomic": 0.05726442214694399,
"volume": 104.7770985028651,
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"formula_full": "Mg2 Si4",
"formula_reduced": "MgSi2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.8117353238095235,
"spacegroup": 74
},
{
"id": "jvasp-79660",
"created_at": "2022-09-04T14:37:14.289158Z",
"updated_at": "2022-09-04T14:37:14.289167Z",
"structure_string": "Mg2 Si2\n1.0\n3.947321 0.000000 -0.000000\n0.000000 4.241953 -0.000000\n0.000000 -0.000000 4.241953\nMg Si\n2 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Si\n0.500000 0.500000 0.000000 Si\n",
"nsites": 4,
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"elements": [
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],
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"density": 2.4496130481215372,
"density_atomic": 0.056315227334797324,
"volume": 71.0287463854095,
"volume_molar": 10.693627718481933,
"formula_full": "Mg2 Si2",
"formula_reduced": "MgSi",
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"spacegroup": 123
},
{
"id": "jvasp-78554",
"created_at": "2022-09-04T14:37:09.797050Z",
"updated_at": "2022-09-04T14:37:09.797076Z",
"structure_string": "Mg1 Sn1\n1.0\n3.490327 -0.000000 0.000000\n-1.745163 3.022712 -0.000000\n-0.000000 -0.000000 4.705855\nMg Sn\n1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.666668 0.333333 0.500001 Sn\n",
"nsites": 2,
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"elements": [
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"volume": 49.647962275184256,
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},
{
"id": "jvasp-37205",
"created_at": "2022-09-04T14:38:04.765512Z",
"updated_at": "2022-09-04T14:38:04.765520Z",
"structure_string": "Mg3 Sn1\n1.0\n4.470502 0.000000 -0.000000\n-0.000000 4.470502 -0.000000\n0.000000 0.000000 4.470502\nMg Sn\n3 1\ndirect\n0.500000 0.500000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 4,
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"elements": [
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"density_atomic": 0.04477041404105255,
"volume": 89.34471761490013,
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"formula_full": "Mg3 Sn1",
"formula_reduced": "Mg3Sn",
"formula_anonymous": "AB3",
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"spacegroup": 221
},
{
"id": "jvasp-94404",
"created_at": "2022-09-04T14:36:10.693436Z",
"updated_at": "2022-09-04T14:36:10.693453Z",
"structure_string": "Mg4 Sn2\n1.0\n5.773721 -0.000000 -0.000000\n-2.886861 5.000190 -0.000000\n0.000000 0.000000 4.965222\nMg Sn\n4 2\ndirect\n0.668420 0.000000 0.500000 Mg\n0.000000 0.668420 0.500000 Mg\n0.331580 0.331580 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.333333 0.666667 0.000000 Sn\n0.666667 0.333333 0.000000 Sn\n",
"nsites": 6,
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"elements": [
"Mg",
"Sn"
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"density_atomic": 0.04185721012288002,
"volume": 143.3444795385509,
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"formula_full": "Mg4 Sn2",
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"spacegroup": 189
},
{
"id": "jvasp-94350",
"created_at": "2022-09-04T14:36:19.441192Z",
"updated_at": "2022-09-04T14:36:19.441217Z",
"structure_string": "Mg4 Sn2\n1.0\n3.371631 0.000000 -0.000000\n-1.685815 2.919918 0.000000\n0.000000 0.000000 14.801810\nMg Sn\n4 2\ndirect\n0.666667 0.333333 0.000000 Mg\n0.000000 0.000000 0.832007 Mg\n0.000000 0.000000 0.500000 Mg\n0.000000 0.000000 0.167993 Mg\n0.666667 0.333333 0.664681 Sn\n0.666667 0.333333 0.335319 Sn\n",
"nsites": 6,
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"volume": 145.7221327283621,
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"formula_full": "Mg4 Sn2",
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"spacegroup": 187
},
{
"id": "jvasp-94354",
"created_at": "2022-09-04T14:35:49.376923Z",
"updated_at": "2022-09-04T14:35:49.376938Z",
"structure_string": "Mg5 Sn1\n1.0\n3.278038 -0.000000 0.000000\n-1.639020 2.838866 -0.000000\n-0.000000 -0.000000 15.267986\nMg Sn\n5 1\ndirect\n0.000000 0.000000 0.167316 Mg\n0.666668 0.333333 0.333097 Mg\n0.000000 0.000000 0.500000 Mg\n0.666668 0.333333 0.666903 Mg\n0.000000 0.000000 0.832684 Mg\n0.666668 0.333333 0.000000 Sn\n",
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},
{
"id": "jvasp-94357",
"created_at": "2022-09-04T14:35:56.757601Z",
"updated_at": "2022-09-04T14:35:56.757627Z",
"structure_string": "Mg2 Sn4\n1.0\n3.385193 -0.000000 0.000000\n-1.692596 2.931663 -0.000000\n-0.000000 -0.000000 15.773928\nMg Sn\n2 4\ndirect\n0.333332 0.666666 0.750000 Mg\n0.666666 0.333333 0.250000 Mg\n0.666666 0.333333 0.907229 Sn\n0.666666 0.333333 0.592772 Sn\n0.333332 0.666666 0.407228 Sn\n0.333332 0.666666 0.092772 Sn\n",
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},
{
"id": "jvasp-94356",
"created_at": "2022-09-04T14:35:54.300162Z",
"updated_at": "2022-09-04T14:35:54.300185Z",
"structure_string": "Mg1 Sn5\n1.0\n5.800138 0.000000 -0.000000\n-2.900069 5.023067 -0.000000\n-0.000000 0.000000 5.534509\nMg Sn\n1 5\ndirect\n0.000000 0.000000 0.500000 Mg\n0.674500 0.000000 0.000000 Sn\n0.325500 0.325500 0.000000 Sn\n0.000000 0.674501 0.000000 Sn\n0.666667 0.333333 0.500000 Sn\n0.333333 0.666667 0.500000 Sn\n",
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"formula_full": "Mg1 Sn5",
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"spacegroup": 189
}
]
}