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{
"id": "jvasp-94397",
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"updated_at": "2022-09-04T14:35:57.397782Z",
"structure_string": "Mg2 Zn4\n1.0\n5.213692 0.000000 -0.000000\n-2.606845 4.515190 0.000000\n-0.000000 -0.000000 4.369909\nMg Zn\n2 4\ndirect\n0.666666 0.333333 0.500000 Mg\n0.333332 0.666667 0.500000 Mg\n-0.000000 0.311115 0.000000 Zn\n0.688884 0.688885 0.000000 Zn\n0.311115 -0.000000 0.000000 Zn\n0.000000 0.000000 0.500000 Zn\n",
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{
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"structure_string": "Mg2 Zn6\n1.0\n2.997344 0.000000 0.000000\n0.000000 9.034983 0.000000\n0.000000 0.000000 4.906044\nMg Zn\n2 6\ndirect\n0.000000 0.000000 0.344652 Mg\n0.499999 0.500000 0.844652 Mg\n0.499999 0.000000 0.833483 Zn\n0.000000 0.244706 0.994264 Zn\n0.499999 0.255293 0.494264 Zn\n0.000000 0.500000 0.333484 Zn\n0.499999 0.744706 0.494264 Zn\n0.000000 0.755293 0.994264 Zn\n",
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"elements": [
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{
"id": "jvasp-94396",
"created_at": "2022-09-04T14:35:54.976738Z",
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"structure_string": "Mg1 Zn5\n1.0\n5.061149 -0.000000 0.000000\n-2.530575 4.383084 0.000000\n-0.000000 -0.000000 4.337226\nMg Zn\n1 5\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.367984 0.500000 Zn\n0.632016 0.632015 0.500000 Zn\n0.367984 0.000000 0.500000 Zn\n0.666667 0.333333 -0.000000 Zn\n0.333333 0.666666 -0.000000 Zn\n",
"nsites": 6,
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"formula_full": "Mg1 Zn5",
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"formula_anonymous": "AB5",
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"spacegroup": 189
},
{
"id": "jvasp-78553",
"created_at": "2022-09-04T14:37:08.964325Z",
"updated_at": "2022-09-04T14:37:08.964346Z",
"structure_string": "Mg1 Zn1\n1.0\n3.113675 -0.000000 -0.000000\n-1.556838 2.696522 -0.000000\n-0.000000 0.000000 4.433251\nMg Zn\n1 1\ndirect\n0.333333 0.666667 0.500000 Mg\n0.000000 0.000000 0.000000 Zn\n",
"nsites": 2,
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"elements": [
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"Zn"
],
"chemical_system": "Mg-Zn",
"density": 4.002301022006806,
"density_atomic": 0.05373168095669823,
"volume": 37.22198830168328,
"volume_molar": 11.207802645990503,
"formula_full": "Mg1 Zn1",
"formula_reduced": "MgZn",
"formula_anonymous": "AB",
"energy_above_hull": 0.5460008823529412,
"spacegroup": 187
},
{
"id": "jvasp-121229",
"created_at": "2022-09-04T14:38:54.260948Z",
"updated_at": "2022-09-04T14:38:54.260964Z",
"structure_string": "Mg2 Zn1\n1.0\n3.092168 0.000000 0.000000\n0.000000 3.107639 0.000000\n0.000000 0.000000 7.432298\nMg Zn\n2 1\ndirect\n-0.033344 0.000000 0.699049 Mg\n-0.033344 0.000000 0.300951 Mg\n0.466689 0.000000 0.000000 Zn\n",
"nsites": 3,
"nelements": 2,
"elements": [
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"chemical_system": "Mg-Zn",
"density": 2.650999013674234,
"density_atomic": 0.04200533916404579,
"volume": 71.41949237176573,
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"formula_full": "Mg2 Zn1",
"formula_reduced": "Mg2Zn",
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"spacegroup": 47
},
{
"id": "jvasp-78558",
"created_at": "2022-09-04T14:36:34.552699Z",
"updated_at": "2022-09-04T14:36:34.552724Z",
"structure_string": "Mg1 Zn1\n1.0\n3.304525 0.000000 0.000000\n-0.000000 3.304525 -0.000000\n-0.000000 0.000000 3.276914\nMg Zn\n1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.499999 0.499999 0.499999 Zn\n",
"nsites": 2,
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"elements": [
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"Zn"
],
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"density": 4.163189606116641,
"density_atomic": 0.055891641944997406,
"volume": 35.78352559347222,
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"formula_full": "Mg1 Zn1",
"formula_reduced": "MgZn",
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"energy_above_hull": 0.5138908823529411,
"spacegroup": 221
},
{
"id": "jvasp-78552",
"created_at": "2022-09-04T14:36:33.631779Z",
"updated_at": "2022-09-04T14:36:33.631797Z",
"structure_string": "Mg1 Zn1\n1.0\n3.293386 0.000000 -0.000000\n0.000000 3.293386 -0.000000\n-0.000000 -0.000000 3.293386\nMg Zn\n1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500001 0.500001 0.500001 Zn\n",
"nsites": 2,
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"elements": [
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"volume": 35.721353406130994,
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"formula_full": "Mg1 Zn1",
"formula_reduced": "MgZn",
"formula_anonymous": "AB",
"energy_above_hull": 0.5145858823529411,
"spacegroup": 221
},
{
"id": "jvasp-121230",
"created_at": "2022-09-04T14:38:53.426563Z",
"updated_at": "2022-09-04T14:38:53.426590Z",
"structure_string": "Mg2 Zn1\n1.0\n4.964974 0.000000 1.135879\n0.000000 3.099070 0.000000\n1.678890 0.000000 4.761544\nMg Zn\n2 1\ndirect\n0.132040 0.000000 -0.203128 Mg\n-0.198742 0.000000 0.469787 Mg\n0.466701 0.000000 0.133341 Zn\n",
"nsites": 3,
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"elements": [
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"density": 2.810973490387379,
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"volume": 67.35495887176563,
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"formula_full": "Mg2 Zn1",
"formula_reduced": "Mg2Zn",
"formula_anonymous": "AB2",
"energy_above_hull": null,
"spacegroup": 65
},
{
"id": "jvasp-94384",
"created_at": "2022-09-04T14:36:04.661984Z",
"updated_at": "2022-09-04T14:36:04.662020Z",
"structure_string": "Mg2 Zn4\n1.0\n3.058821 0.000000 -0.000000\n-1.529410 2.649016 0.000000\n0.000000 0.000000 12.993081\nMg Zn\n2 4\ndirect\n0.333333 0.666668 0.673203 Mg\n0.333333 0.666668 0.326797 Mg\n0.333333 0.666668 0.000000 Zn\n0.000000 0.000000 0.844956 Zn\n0.000000 0.000000 0.500000 Zn\n0.000000 0.000000 0.155044 Zn\n",
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"elements": [
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"volume": 105.28119128350444,
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"formula_full": "Mg2 Zn4",
"formula_reduced": "MgZn2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.3084979411764705,
"spacegroup": 187
},
{
"id": "jvasp-94399",
"created_at": "2022-09-04T14:36:02.430864Z",
"updated_at": "2022-09-04T14:36:02.430890Z",
"structure_string": "Mg4 Zn2\n1.0\n3.162092 0.000000 0.000000\n-1.581046 2.738452 0.000000\n0.000000 -0.000000 14.084351\nMg Zn\n4 2\ndirect\n0.666666 0.333333 0.776844 Mg\n0.333332 0.666666 0.592403 Mg\n0.666666 0.333333 0.407597 Mg\n0.333332 0.666666 0.223156 Mg\n0.333332 0.666666 0.931470 Zn\n0.666666 0.333333 0.068530 Zn\n",
"nsites": 6,
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"density_atomic": 0.049196564519127024,
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"formula_full": "Mg4 Zn2",
"formula_reduced": "Mg2Zn",
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"spacegroup": 164
},
{
"id": "jvasp-91879",
"created_at": "2022-09-04T14:36:06.436307Z",
"updated_at": "2022-09-04T14:36:06.436326Z",
"structure_string": "Mg7 Zn1\n1.0\n6.266486 -0.000000 0.000000\n-3.133243 5.426936 -0.000000\n-0.000000 -0.000000 5.071122\nMg Zn\n7 1\ndirect\n0.165826 0.832913 0.250000 Mg\n0.667089 0.334175 0.250000 Mg\n0.667089 0.832913 0.250000 Mg\n0.330350 0.169651 0.750000 Mg\n0.330350 0.660700 0.750000 Mg\n0.839301 0.169651 0.750000 Mg\n0.833334 0.666667 0.750000 Mg\n0.166667 0.333333 0.250000 Zn\n",
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"formula_full": "Mg7 Zn1",
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"spacegroup": 187
},
{
"id": "jvasp-92317",
"created_at": "2022-09-04T14:35:45.328407Z",
"updated_at": "2022-09-04T14:35:45.328428Z",
"structure_string": "Mg3 Zn3\n1.0\n3.118813 0.000000 -0.000000\n-1.559407 2.700971 0.000000\n0.000000 -0.000000 13.383882\nMg Zn\n3 3\ndirect\n0.000000 0.000000 0.000000 Mg\n0.666666 0.333333 0.333333 Mg\n0.333332 0.666667 0.666667 Mg\n0.333332 0.666667 0.166667 Zn\n0.000000 0.000000 0.500000 Zn\n0.666666 0.333333 0.833333 Zn\n",
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"formula_full": "Mg3 Zn3",
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}