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{
"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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{
"id": "jvasp-20124",
"created_at": "2022-09-04T14:38:18.802572Z",
"updated_at": "2022-09-04T14:38:18.802592Z",
"structure_string": "Mg4 Zn8\n1.0\n2.605606 -4.513042 0.000000\n2.605606 4.513042 -0.000000\n-0.000000 -0.000000 8.486185\nMg Zn\n4 8\ndirect\n0.333334 0.666668 0.063024 Mg\n0.666668 0.333334 0.563025 Mg\n0.666668 0.333334 0.936976 Mg\n0.333334 0.666668 0.436976 Mg\n0.000000 0.000000 0.000000 Zn\n0.000000 0.000000 0.500000 Zn\n0.170317 0.340633 0.750000 Zn\n0.829684 0.170317 0.250000 Zn\n0.340633 0.170317 0.250000 Zn\n0.659369 0.829685 0.750000 Zn\n0.170317 0.829684 0.750000 Zn\n0.829685 0.659369 0.250000 Zn\n",
"nsites": 12,
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"elements": [
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"density": 5.1625547710044,
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"volume": 199.58165137535335,
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{
"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",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
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],
"chemical_system": "Mg-Zn",
"density": 3.964050848976769,
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"volume": 112.74345927682027,
"volume_molar": 11.315949692238993,
"formula_full": "Mg3 Zn3",
"formula_reduced": "MgZn",
"formula_anonymous": "AB",
"energy_above_hull": 0.5498258823529412,
"spacegroup": 166
},
{
"id": "jvasp-92316",
"created_at": "2022-09-04T14:35:41.311220Z",
"updated_at": "2022-09-04T14:35:41.311245Z",
"structure_string": "Mg2 Zn6\n1.0\n4.055124 0.000000 -0.000000\n0.000000 4.055124 0.000000\n-0.000000 0.000000 8.033018\nMg Zn\n2 6\ndirect\n0.000000 0.000000 0.000000 Mg\n0.499999 0.499999 0.500000 Mg\n0.499999 0.499999 0.000000 Zn\n0.499999 0.000000 0.250000 Zn\n0.000000 0.499999 0.250000 Zn\n0.000000 0.000000 0.500000 Zn\n0.000000 0.499999 0.750000 Zn\n0.499999 0.000000 0.750000 Zn\n",
"nsites": 8,
"nelements": 2,
"elements": [
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"density": 5.544516642296077,
"density_atomic": 0.06056238491939194,
"volume": 132.0951942471872,
"volume_molar": 9.943698168451295,
"formula_full": "Mg2 Zn6",
"formula_reduced": "MgZn3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.1530089705882353,
"spacegroup": 139
},
{
"id": "jvasp-90566",
"created_at": "2022-09-04T14:35:45.345894Z",
"updated_at": "2022-09-04T14:35:45.345915Z",
"structure_string": "Mg6 Zn2\n1.0\n3.180135 0.000000 0.000000\n0.000000 9.835064 0.000000\n0.000000 0.000000 5.229903\nMg Zn\n6 2\ndirect\n0.000000 0.000000 0.370030 Mg\n0.000000 0.768061 0.980083 Mg\n0.500001 0.731938 0.480083 Mg\n0.500001 0.500000 0.870030 Mg\n0.500001 0.268062 0.480083 Mg\n0.000000 0.231938 0.980083 Mg\n0.500001 0.000000 0.836469 Zn\n0.000000 0.500000 0.336469 Zn\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mg",
"Zn"
],
"chemical_system": "Mg-Zn",
"density": 2.8084083224286482,
"density_atomic": 0.048907290810171554,
"volume": 163.5747936039056,
"volume_molar": 12.31338039838334,
"formula_full": "Mg6 Zn2",
"formula_reduced": "Mg3Zn",
"formula_anonymous": "AB3",
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"spacegroup": 44
},
{
"id": "jvasp-80504",
"created_at": "2022-09-04T14:37:03.598345Z",
"updated_at": "2022-09-04T14:37:03.598369Z",
"structure_string": "Mg3 Zn1\n1.0\n4.315775 0.000000 0.000000\n0.000000 4.315775 0.000000\n-0.000000 0.000000 4.315775\nMg Zn\n3 1\ndirect\n0.499999 0.499999 0.000000 Mg\n0.499999 0.000000 0.499999 Mg\n0.000000 0.499999 0.499999 Mg\n0.000000 0.000000 0.000000 Zn\n",
"nsites": 4,
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"elements": [
"Mg",
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"chemical_system": "Mg-Zn",
"density": 2.8573948116087755,
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"volume": 80.38525334868113,
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"formula_full": "Mg3 Zn1",
"formula_reduced": "Mg3Zn",
"formula_anonymous": "AB3",
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"spacegroup": 221
},
{
"id": "jvasp-80742",
"created_at": "2022-09-04T14:37:05.475740Z",
"updated_at": "2022-09-04T14:37:05.475760Z",
"structure_string": "Mg3 Zn1\n1.0\n3.168908 -0.000000 -0.000000\n-1.584454 2.744356 0.000000\n0.000000 0.000000 9.492456\nMg Zn\n3 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.666668 0.333334 0.728486 Mg\n0.666668 0.333334 0.271515 Mg\n0.000000 0.000000 0.500000 Zn\n",
"nsites": 4,
"nelements": 2,
"elements": [
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"Zn"
],
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"density": 2.782389753488925,
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"volume": 82.55220375231758,
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"formula_full": "Mg3 Zn1",
"formula_reduced": "Mg3Zn",
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"spacegroup": 187
},
{
"id": "jvasp-79187",
"created_at": "2022-09-04T14:36:36.102865Z",
"updated_at": "2022-09-04T14:36:36.102895Z",
"structure_string": "Mg3 W1\n1.0\n6.102460 0.268048 -0.000000\n-1.409546 2.441406 0.000000\n0.000000 -0.000000 4.910651\nMg W\n3 1\ndirect\n0.650674 0.650675 0.250000 Mg\n0.329959 0.329960 0.750000 Mg\n0.868163 0.368165 0.750000 Mg\n0.151205 0.651206 0.250000 W\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"W"
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"density": 5.683392838427137,
"density_atomic": 0.05332116870824249,
"volume": 75.01711040669055,
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"formula_full": "Mg3 W1",
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"formula_anonymous": "AB3",
"energy_above_hull": 1.4385567875,
"spacegroup": 25
},
{
"id": "jvasp-38933",
"created_at": "2022-09-04T14:38:03.726918Z",
"updated_at": "2022-09-04T14:38:03.726927Z",
"structure_string": "Mg2 W6\n1.0\n2.887444 -5.001200 0.000000\n2.887444 5.001200 0.000000\n-0.000000 0.000000 4.665131\nMg W\n2 6\ndirect\n0.333332 0.666666 0.750000 Mg\n0.666666 0.333332 0.250000 Mg\n0.845731 0.691462 0.750000 W\n0.308536 0.154268 0.750000 W\n0.845731 0.154267 0.750000 W\n0.154267 0.845731 0.250000 W\n0.691462 0.845731 0.250000 W\n0.154268 0.308536 0.250000 W\n",
"nsites": 8,
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"elements": [
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"density": 14.193450175289195,
"density_atomic": 0.05937564701440649,
"volume": 134.73537388247638,
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"formula_full": "Mg2 W6",
"formula_reduced": "MgW3",
"formula_anonymous": "AB3",
"energy_above_hull": 5.8133572625,
"spacegroup": 194
},
{
"id": "jvasp-91872",
"created_at": "2022-09-04T14:36:13.261129Z",
"updated_at": "2022-09-04T14:36:13.261158Z",
"structure_string": "Mg7 W1\n1.0\n6.182162 0.000000 0.000000\n-3.091081 5.353909 -0.000000\n-0.000000 0.000000 4.916773\nMg W\n7 1\ndirect\n0.169299 0.834649 0.250000 Mg\n0.665351 0.330701 0.250000 Mg\n0.665351 0.834649 0.250000 Mg\n0.322306 0.177694 0.749999 Mg\n0.322306 0.644614 0.749999 Mg\n0.855386 0.177694 0.749999 Mg\n0.833333 0.666667 0.749999 Mg\n0.166667 0.333333 0.250000 W\n",
"nsites": 8,
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"formula_full": "Mg7 W1",
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"formula_anonymous": "AB7",
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"spacegroup": 187
},
{
"id": "jvasp-122940",
"created_at": "2022-09-04T14:38:55.452198Z",
"updated_at": "2022-09-04T14:38:55.452216Z",
"structure_string": "Mg1 V1\n1.0\n3.203791 0.000000 -0.000000\n0.000000 3.203791 -0.000000\n0.000000 0.000000 3.203791\nMg V\n1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 V\n",
"nsites": 2,
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"elements": [
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"density": 3.7996436694404925,
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"volume": 32.88459754262064,
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"formula_full": "Mg1 V1",
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"formula_anonymous": "AB",
"energy_above_hull": null,
"spacegroup": 221
},
{
"id": "jvasp-79189",
"created_at": "2022-09-04T14:37:02.203950Z",
"updated_at": "2022-09-04T14:37:02.203978Z",
"structure_string": "Mg3 V1\n1.0\n6.200877 0.140524 0.000000\n-1.489370 2.579665 0.000000\n0.000000 0.000000 4.955967\nMg V\n3 1\ndirect\n0.654276 0.654274 0.250000 Mg\n0.333822 0.333821 0.750001 Mg\n0.856012 0.356010 0.750001 Mg\n0.155887 0.655886 0.250000 V\n",
"nsites": 4,
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"elements": [
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"formula_full": "Mg3 V1",
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"spacegroup": 25
}
]
}