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{
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{
"id": "jvasp-94386",
"created_at": "2022-09-04T14:36:12.209924Z",
"updated_at": "2022-09-04T14:36:12.209939Z",
"structure_string": "Mg3 Zn3\n1.0\n3.116395 0.000000 0.000000\n-1.558198 2.698877 -0.000000\n0.000000 0.000000 13.383699\nMg Zn\n3 3\ndirect\n0.000000 0.000000 0.007225 Mg\n0.000000 0.000000 0.676881 Mg\n0.333333 0.666668 0.483171 Mg\n0.333333 0.666668 0.841927 Zn\n0.000000 0.000000 0.318924 Zn\n0.333333 0.666668 0.171873 Zn\n",
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{
"id": "jvasp-94385",
"created_at": "2022-09-04T14:36:09.006232Z",
"updated_at": "2022-09-04T14:36:09.006266Z",
"structure_string": "Mg1 Zn5\n1.0\n2.975116 -0.000000 -0.000000\n-1.487559 2.576526 0.000000\n0.000000 0.000000 12.824073\nMg Zn\n1 5\ndirect\n0.666668 0.333333 0.000000 Mg\n0.000000 0.000000 0.822730 Zn\n0.666668 0.333333 0.660919 Zn\n0.000000 0.000000 0.500000 Zn\n0.666668 0.333333 0.339081 Zn\n0.000000 0.000000 0.177270 Zn\n",
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"formula_full": "Mg1 Zn5",
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"spacegroup": 187
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{
"id": "jvasp-94387",
"created_at": "2022-09-04T14:36:14.628542Z",
"updated_at": "2022-09-04T14:36:14.628580Z",
"structure_string": "Mg4 Zn2\n1.0\n3.168088 0.000000 0.000000\n-1.584043 2.743643 0.000000\n-0.000000 -0.000000 13.891714\nMg Zn\n4 2\ndirect\n0.666668 0.333333 0.906970 Mg\n0.666668 0.333333 0.593030 Mg\n0.333334 0.666666 0.406970 Mg\n0.333334 0.666666 0.093030 Mg\n0.333334 0.666666 0.750000 Zn\n0.666668 0.333333 0.250000 Zn\n",
"nsites": 6,
"nelements": 2,
"elements": [
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],
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"density": 3.135997082985057,
"density_atomic": 0.04969018110107564,
"volume": 120.74820149669605,
"volume_molar": 12.119377765499106,
"formula_full": "Mg4 Zn2",
"formula_reduced": "Mg2Zn",
"formula_anonymous": "AB2",
"energy_above_hull": 0.2733338235294117,
"spacegroup": 194
},
{
"id": "jvasp-94388",
"created_at": "2022-09-04T14:36:17.500146Z",
"updated_at": "2022-09-04T14:36:17.500172Z",
"structure_string": "Mg2 Zn4\n1.0\n3.060048 0.000000 -0.000000\n-1.530023 2.650078 0.000000\n-0.000000 0.000000 13.005439\nMg Zn\n2 4\ndirect\n0.333334 0.666668 0.750000 Mg\n0.666668 0.333333 0.250000 Mg\n0.666668 0.333333 0.922124 Zn\n0.666668 0.333333 0.577876 Zn\n0.333334 0.666668 0.422124 Zn\n0.333334 0.666668 0.077876 Zn\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Zn"
],
"chemical_system": "Mg-Zn",
"density": 4.884761637477056,
"density_atomic": 0.05689044597532417,
"volume": 105.4658633297137,
"volume_molar": 10.58550457244097,
"formula_full": "Mg2 Zn4",
"formula_reduced": "MgZn2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.3081546078431372,
"spacegroup": 194
},
{
"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": [
"Mg",
"Zn"
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"chemical_system": "Mg-Zn",
"density": 2.650999013674234,
"density_atomic": 0.04200533916404579,
"volume": 71.41949237176573,
"volume_molar": 14.336607869017318,
"formula_full": "Mg2 Zn1",
"formula_reduced": "Mg2Zn",
"formula_anonymous": "AB2",
"energy_above_hull": 0.3320171568627451,
"spacegroup": 47
},
{
"id": "jvasp-56853",
"created_at": "2022-09-04T14:37:47.397147Z",
"updated_at": "2022-09-04T14:37:47.397178Z",
"structure_string": "Mg2 Zn4\n1.0\n4.615991 0.249045 0.000000\n-2.092316 4.122087 0.000000\n-0.000000 0.000000 5.383595\nMg Zn\n2 4\ndirect\n0.641097 0.358904 0.250000 Mg\n0.358902 0.641098 0.749999 Mg\n0.706333 0.293668 0.749999 Zn\n0.000000 0.000000 0.000000 Zn\n0.293667 0.706334 0.250000 Zn\n0.000000 0.000000 0.500000 Zn\n",
"nsites": 6,
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"elements": [
"Mg",
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"density": 4.895164675579375,
"density_atomic": 0.057011605106733684,
"volume": 105.24173085053758,
"volume_molar": 10.56300861679953,
"formula_full": "Mg2 Zn4",
"formula_reduced": "MgZn2",
"formula_anonymous": "AB2",
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"spacegroup": 63
},
{
"id": "jvasp-94393",
"created_at": "2022-09-04T14:35:48.341514Z",
"updated_at": "2022-09-04T14:35:48.341543Z",
"structure_string": "Mg4 Zn2\n1.0\n5.384086 -0.000000 -0.000000\n-2.692043 4.662756 -0.000000\n0.000000 0.000000 4.673816\nMg Zn\n4 2\ndirect\n0.647739 0.000000 0.000000 Mg\n0.000001 0.647739 0.000000 Mg\n0.352262 0.352262 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.333334 0.666668 0.500000 Zn\n0.666668 0.333333 0.500000 Zn\n",
"nsites": 6,
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"elements": [
"Mg",
"Zn"
],
"chemical_system": "Mg-Zn",
"density": 3.2272308468663824,
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"volume": 117.3346517919574,
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"formula_full": "Mg4 Zn2",
"formula_reduced": "Mg2Zn",
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"spacegroup": 189
},
{
"id": "jvasp-90568",
"created_at": "2022-09-04T14:35:56.943745Z",
"updated_at": "2022-09-04T14:35:56.943770Z",
"structure_string": "Mg6 Zn2\n1.0\n4.319778 -0.000000 0.000000\n0.000000 4.319778 0.000000\n-0.000000 -0.000000 8.742369\nMg Zn\n6 2\ndirect\n0.500000 0.500000 0.000000 Mg\n0.500000 0.000000 0.250000 Mg\n0.000000 0.500000 0.250000 Mg\n0.000000 0.000000 0.500000 Mg\n0.000000 0.500000 0.750000 Mg\n0.500000 0.000000 0.750000 Mg\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Zn\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mg",
"Zn"
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"density": 2.8159480750568737,
"density_atomic": 0.04903859254129109,
"volume": 163.13681909332743,
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"formula_full": "Mg6 Zn2",
"formula_reduced": "Mg3Zn",
"formula_anonymous": "AB3",
"energy_above_hull": 0.153700294117647,
"spacegroup": 139
},
{
"id": "jvasp-90576",
"created_at": "2022-09-04T14:35:53.707206Z",
"updated_at": "2022-09-04T14:35:53.707237Z",
"structure_string": "Mg4 Zn4\n1.0\n10.243286 0.000000 0.759635\n0.000000 3.075100 0.000000\n-1.941929 0.000000 4.463667\nMg Zn\n4 4\ndirect\n0.608973 0.500000 0.820704 Mg\n0.891027 0.000000 0.179295 Mg\n0.108973 0.000000 0.820704 Mg\n0.391027 0.500000 0.179296 Mg\n0.856400 0.500000 0.663085 Zn\n0.643600 0.000000 0.336914 Zn\n0.356400 0.000000 0.663086 Zn\n0.143600 0.500000 0.336914 Zn\n",
"nsites": 8,
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"elements": [
"Mg",
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"density": 4.105712559904451,
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"volume": 145.13787767394933,
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"formula_full": "Mg4 Zn4",
"formula_reduced": "MgZn",
"formula_anonymous": "AB",
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"spacegroup": 12
},
{
"id": "jvasp-94398",
"created_at": "2022-09-04T14:35:59.307230Z",
"updated_at": "2022-09-04T14:35:59.307248Z",
"structure_string": "Mg5 Zn1\n1.0\n5.392940 0.000000 -0.000000\n-2.696470 4.670423 0.000000\n-0.000000 0.000000 4.998010\nMg Zn\n5 1\ndirect\n-0.000000 0.676838 0.500000 Mg\n0.676838 0.000000 0.500000 Mg\n0.323162 0.323161 0.500000 Mg\n0.666667 0.333333 0.000000 Mg\n0.333333 0.666667 0.000000 Mg\n0.000000 0.000000 0.000000 Zn\n",
"nsites": 6,
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"elements": [
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"density": 2.4658035354339227,
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},
{
"id": "jvasp-90567",
"created_at": "2022-09-04T14:35:52.053970Z",
"updated_at": "2022-09-04T14:35:52.053995Z",
"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",
"nsites": 8,
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"volume": 132.86034249164746,
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"formula_full": "Mg2 Zn6",
"formula_reduced": "MgZn3",
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"spacegroup": 44
},
{
"id": "jvasp-94394",
"created_at": "2022-09-04T14:35:50.575796Z",
"updated_at": "2022-09-04T14:35:50.575811Z",
"structure_string": "Mg5 Zn1\n1.0\n3.180714 0.000000 0.000000\n-1.590357 2.754579 -0.000000\n0.000000 0.000000 14.716672\nMg Zn\n5 1\ndirect\n0.000000 0.000000 0.852319 Mg\n0.666666 0.333333 0.676311 Mg\n0.000000 0.000000 0.500000 Mg\n0.666666 0.333333 0.323689 Mg\n0.000000 0.000000 0.147681 Mg\n0.666666 0.333333 0.000000 Zn\n",
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"formula_full": "Mg5 Zn1",
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"spacegroup": 187
}
]
}