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{
"id": "jvasp-113762",
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"structure_string": "Mg2 Ni6\n1.0\n5.204027 -0.000000 0.000000\n-2.602014 4.506820 0.000000\n0.000000 -0.000000 4.165650\nMg Ni\n2 6\ndirect\n0.666668 0.333333 0.250000 Mg\n0.333334 0.666667 0.750000 Mg\n0.160024 0.320048 0.250000 Ni\n0.160025 0.839976 0.250000 Ni\n0.679953 0.839976 0.250000 Ni\n0.320048 0.160024 0.750000 Ni\n0.839977 0.160024 0.750000 Ni\n0.839977 0.679952 0.750000 Ni\n",
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{
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{
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"structure_string": "Mg2 Ni4\n1.0\n4.146548 -0.000000 2.394011\n1.382183 3.909403 2.394011\n-0.000000 -0.000000 4.788021\nMg Ni\n2 4\ndirect\n0.750000 0.749999 0.750000 Mg\n0.500000 0.500000 0.500000 Mg\n0.125000 0.125000 0.125000 Ni\n0.625000 0.125000 0.125000 Ni\n0.125000 0.125000 0.625000 Ni\n0.125000 0.624999 0.125000 Ni\n",
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{
"id": "jvasp-11949",
"created_at": "2022-09-04T14:36:40.887406Z",
"updated_at": "2022-09-04T14:36:40.887433Z",
"structure_string": "Mg1 Ni1\n1.0\n3.034236 0.000000 0.000000\n0.000000 3.034236 0.000000\n-0.000000 -0.000000 3.034236\nMg Ni\n1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500001 0.500001 0.500001 Ni\n",
"nsites": 2,
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"elements": [
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"volume": 27.934961061406135,
"volume_molar": 8.411413381845337,
"formula_full": "Mg1 Ni1",
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"spacegroup": 221
},
{
"id": "jvasp-93820",
"created_at": "2022-09-04T14:36:21.238310Z",
"updated_at": "2022-09-04T14:36:21.238338Z",
"structure_string": "Mg4 Ni2\n1.0\n3.057272 3.058405 -0.085832\n3.057272 -3.058405 -0.085832\n-0.172038 0.000000 -6.113822\nMg Ni\n4 2\ndirect\n0.982510 0.482466 0.745663 Mg\n0.482466 0.982510 0.745663 Mg\n0.482486 0.982518 0.245666 Mg\n0.982518 0.482486 0.245666 Mg\n0.982478 0.982478 0.995654 Ni\n0.482537 0.482537 0.495685 Ni\n",
"nsites": 6,
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"formula_full": "Mg4 Ni2",
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},
{
"id": "jvasp-20794",
"created_at": "2022-09-04T14:38:34.229210Z",
"updated_at": "2022-09-04T14:38:34.229233Z",
"structure_string": "Mg8 Ni16\n1.0\n2.402229 -4.160784 0.000000\n2.402229 4.160784 -0.000000\n0.000000 0.000000 15.769599\nMg Ni\n8 16\ndirect\n0.000000 0.000000 0.906869 Mg\n0.000000 0.000000 0.406869 Mg\n0.000000 0.000000 0.093131 Mg\n0.000000 0.000000 0.593131 Mg\n0.333333 0.666667 0.155889 Mg\n0.666667 0.333333 0.655889 Mg\n0.666667 0.333333 0.844111 Mg\n0.333333 0.666667 0.344111 Mg\n0.666667 0.333333 0.374835 Ni\n0.333333 0.666667 0.874836 Ni\n0.835829 0.671659 0.250000 Ni\n0.671659 0.835829 0.750000 Ni\n0.164171 0.835829 0.750000 Ni\n0.835829 0.164171 0.250000 Ni\n0.328342 0.164171 0.250000 Ni\n0.500000 0.500000 0.000000 Ni\n0.500000 0.000000 0.500000 Ni\n0.000000 0.500000 0.000000 Ni\n0.666667 0.333333 0.125165 Ni\n0.500000 0.500000 0.500000 Ni\n0.000000 0.500000 0.500000 Ni\n0.500000 0.000000 0.000000 Ni\n0.164171 0.328342 0.750000 Ni\n0.333333 0.666667 0.625165 Ni\n",
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"elements": [
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"formula_full": "Mg8 Ni16",
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},
{
"id": "jvasp-91887",
"created_at": "2022-09-04T14:35:57.112745Z",
"updated_at": "2022-09-04T14:35:57.112769Z",
"structure_string": "Mg7 Ni1\n1.0\n6.180831 -0.000000 -0.000000\n-3.090416 5.352756 0.000000\n-0.000000 -0.000000 4.852645\nMg Ni\n7 1\ndirect\n0.166241 0.833121 0.250000 Mg\n0.666879 0.333758 0.250000 Mg\n0.666879 0.833121 0.250000 Mg\n0.324322 0.175678 0.750001 Mg\n0.324322 0.648644 0.750001 Mg\n0.851356 0.175678 0.750001 Mg\n0.833333 0.666667 0.750001 Mg\n0.166667 0.333333 0.250000 Ni\n",
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"density_atomic": 0.04982957118204395,
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"formula_full": "Mg7 Ni1",
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"formula_anonymous": "AB7",
"energy_above_hull": 0.0,
"spacegroup": 187
},
{
"id": "jvasp-35775",
"created_at": "2022-09-04T14:37:13.556635Z",
"updated_at": "2022-09-04T14:37:13.556667Z",
"structure_string": "Mg1 Ni1\n1.0\n2.973166 0.000000 0.000000\n0.000000 2.973166 -0.000000\n-0.000000 0.000000 3.145863\nMg Ni\n1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500001 0.500001 0.500000 Ni\n",
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"elements": [
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},
{
"id": "jvasp-11989",
"created_at": "2022-09-04T14:36:56.055000Z",
"updated_at": "2022-09-04T14:36:56.055023Z",
"structure_string": "Mg3 Ni3\n1.0\n-4.309510 2.441414 -0.016600\n-0.040429 -4.952852 0.016600\n-1.403742 2.431352 4.080805\nMg Ni\n3 3\ndirect\n0.500054 0.833389 0.000002 Mg\n0.880290 0.453126 0.380231 Mg\n0.119791 0.213623 0.619771 Mg\n0.499921 0.333308 -0.000026 Ni\n0.499969 0.833303 0.500001 Ni\n0.999972 0.833254 0.000027 Ni\n",
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},
{
"id": "jvasp-20405",
"created_at": "2022-09-04T14:37:37.587347Z",
"updated_at": "2022-09-04T14:37:37.587375Z",
"structure_string": "Mg12 Ni6\n1.0\n2.594372 -4.493584 -0.000000\n2.594372 4.493584 0.000000\n-0.000000 -0.000000 13.136000\nMg Ni\n12 6\ndirect\n0.500000 0.500000 0.717195 Mg\n0.835835 0.164164 0.833333 Mg\n0.164164 0.328330 0.500000 Mg\n0.671669 0.835835 0.166667 Mg\n0.835835 0.671669 0.500000 Mg\n0.164164 0.835835 0.833333 Mg\n0.328330 0.164164 0.166667 Mg\n0.500000 0.000000 0.616138 Mg\n0.500000 0.500000 0.949472 Mg\n0.000000 0.500000 0.050528 Mg\n0.500000 0.000000 0.383862 Mg\n0.000000 0.500000 0.282805 Mg\n0.500000 0.500000 0.333333 Ni\n0.000000 0.000000 0.666667 Ni\n0.000000 0.000000 0.333333 Ni\n0.000000 0.000000 0.000000 Ni\n0.000000 0.500000 0.666667 Ni\n0.500000 0.000000 0.000000 Ni\n",
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{
"id": "jvasp-108655",
"created_at": "2022-09-04T14:38:20.287712Z",
"updated_at": "2022-09-04T14:38:20.287744Z",
"structure_string": "Mg1 Ni3\n1.0\n3.318343 -0.022160 -2.897373\n-0.699464 3.243862 -2.897373\n0.018014 0.022160 4.405207\nMg Ni\n1 3\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000001 Ni\n0.749999 0.250000 0.500000 Ni\n0.250000 0.749999 0.500001 Ni\n",
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},
{
"id": "jvasp-109566",
"created_at": "2022-09-04T14:38:28.473956Z",
"updated_at": "2022-09-04T14:38:28.473977Z",
"structure_string": "Mg1 Ni5\n1.0\n3.916993 0.002303 2.841819\n1.450446 3.638550 2.841819\n0.003394 0.002303 4.839293\nMg Ni\n1 5\ndirect\n0.000000 0.000000 0.000000 Mg\n0.823744 0.499999 0.176257 Ni\n0.176257 0.823743 0.500000 Ni\n0.499999 0.176255 0.823744 Ni\n0.329919 0.329919 0.329920 Ni\n0.670080 0.670080 0.670081 Ni\n",
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}
]
}