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{
"id": "jvasp-118682",
"created_at": "2022-09-04T14:38:53.846038Z",
"updated_at": "2022-09-04T14:38:53.846073Z",
"structure_string": "Mg1 Cl1\n1.0\n4.508177 0.000000 -0.000000\n-2.254089 3.904196 0.000000\n0.000000 0.000000 3.472529\nMg Cl\n1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.333333 0.666667 0.000000 Cl\n",
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{
"id": "jvasp-118686",
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"structure_string": "Mg2 Cl1\n1.0\n3.334323 0.000000 0.000000\n0.000000 3.349352 0.000000\n0.000000 0.000000 7.164038\nMg Cl\n2 1\ndirect\n-0.033309 0.000000 0.705996 Mg\n-0.033309 0.000000 0.294004 Mg\n0.466618 0.000000 0.000000 Cl\n",
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"spacegroup": 47
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{
"id": "jvasp-118681",
"created_at": "2022-09-04T14:38:51.306497Z",
"updated_at": "2022-09-04T14:38:51.306517Z",
"structure_string": "Mg2 Cl2\n1.0\n3.392004 -0.565161 -0.415341\n-0.717355 -5.204728 1.221021\n-0.391445 1.589576 -5.364815\nMg Cl\n2 2\ndirect\n0.196184 0.891351 0.009377 Mg\n0.696037 0.639005 0.505954 Mg\n0.196092 0.446004 0.119189 Cl\n0.696088 0.084438 0.396033 Cl\n",
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"formula_full": "Mg2 Cl2",
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"formula_anonymous": "AB",
"energy_above_hull": 0.0,
"spacegroup": 63
},
{
"id": "jvasp-118689",
"created_at": "2022-09-04T14:38:53.450662Z",
"updated_at": "2022-09-04T14:38:53.450688Z",
"structure_string": "Mg1 Cl2\n1.0\n3.516042 0.000000 -0.424753\n0.000000 3.872213 0.000000\n-0.664852 0.000000 5.783081\nMg Cl\n1 2\ndirect\n0.466680 0.000000 0.133340 Mg\n-0.159685 0.000000 -0.142600 Cl\n0.093006 0.000000 0.409259 Cl\n",
"nsites": 3,
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"volume": 77.64235391310395,
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"spacegroup": 10
},
{
"id": "jvasp-22660",
"created_at": "2022-09-04T14:37:06.500424Z",
"updated_at": "2022-09-04T14:37:06.500443Z",
"structure_string": "Mg1 Cl2\n1.0\n3.639763 -0.000000 0.000000\n-1.819881 3.152127 0.000000\n-0.000000 0.000000 5.789088\nMg Cl\n1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.333333 0.666668 0.237100 Cl\n0.666667 0.333333 0.762900 Cl\n",
"nsites": 3,
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"elements": [
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"volume": 66.41817898632077,
"volume_molar": 13.332654095949927,
"formula_full": "Mg1 Cl2",
"formula_reduced": "MgCl2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 164
},
{
"id": "jvasp-78313",
"created_at": "2022-09-04T14:37:09.133014Z",
"updated_at": "2022-09-04T14:37:09.133023Z",
"structure_string": "Mg1 Cd1\n1.0\n3.287854 0.000000 -0.000000\n0.000000 3.287854 0.000000\n0.000000 0.000000 3.937038\nMg Cd\n1 1\ndirect\n0.499999 0.499999 0.500000 Mg\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 2,
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"elements": [
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"density": 5.33425516197985,
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"volume": 42.55931749335825,
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"formula_full": "Mg1 Cd1",
"formula_reduced": "MgCd",
"formula_anonymous": "AB",
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"spacegroup": 123
},
{
"id": "jvasp-78803",
"created_at": "2022-09-04T14:37:09.819052Z",
"updated_at": "2022-09-04T14:37:09.819075Z",
"structure_string": "Mg3 Cd1\n1.0\n3.222757 -0.000000 0.000000\n-1.611378 2.790989 -0.000000\n-0.000000 0.000000 9.892470\nMg Cd\n3 1\ndirect\n0.666668 0.333333 0.000000 Mg\n0.000000 0.000000 0.743123 Mg\n0.000000 0.000000 0.256877 Mg\n0.666668 0.333333 0.500000 Cd\n",
"nsites": 4,
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"elements": [
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"volume": 88.97959549765756,
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{
"id": "jvasp-79197",
"created_at": "2022-09-04T14:37:12.325828Z",
"updated_at": "2022-09-04T14:37:12.325856Z",
"structure_string": "Mg2 Cd2\n1.0\n4.982638 0.000000 0.000000\n-2.491318 4.315090 -0.000000\n0.000000 0.000000 5.708269\nMg Cd\n2 2\ndirect\n0.333333 0.666667 0.437517 Mg\n0.666667 0.333333 0.937517 Mg\n0.333333 0.666667 0.937483 Cd\n0.666667 0.333333 0.437483 Cd\n",
"nsites": 4,
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"elements": [
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"formula_full": "Mg2 Cd2",
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"formula_anonymous": "AB",
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"spacegroup": 194
},
{
"id": "jvasp-78802",
"created_at": "2022-09-04T14:37:09.529063Z",
"updated_at": "2022-09-04T14:37:09.529082Z",
"structure_string": "Mg2 Cd2\n1.0\n3.248104 0.000000 0.000000\n-1.624053 2.812941 -0.000000\n-0.000000 0.000000 9.723591\nMg Cd\n2 2\ndirect\n0.333333 0.666667 0.629130 Mg\n0.666666 0.333333 0.370870 Mg\n0.666666 0.333333 0.873567 Cd\n0.333333 0.666667 0.126433 Cd\n",
"nsites": 4,
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"elements": [
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"density": 5.11070959830024,
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"formula_full": "Mg2 Cd2",
"formula_reduced": "MgCd",
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"spacegroup": 164
},
{
"id": "jvasp-78305",
"created_at": "2022-09-04T14:37:14.845863Z",
"updated_at": "2022-09-04T14:37:14.845888Z",
"structure_string": "Mg1 Cd1\n1.0\n3.487127 0.000000 -0.000000\n0.000000 3.487127 -0.000000\n-0.000000 0.000000 3.487127\nMg Cd\n1 1\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 2,
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"spacegroup": 221
},
{
"id": "jvasp-78806",
"created_at": "2022-09-04T14:37:08.897249Z",
"updated_at": "2022-09-04T14:37:08.897270Z",
"structure_string": "Mg2 Cd2\n1.0\n3.233039 0.000000 0.000000\n0.000000 5.216029 0.000000\n0.000000 0.000000 5.163454\nMg Cd\n2 2\ndirect\n0.000000 0.000000 0.098543 Mg\n0.500000 0.500000 0.901456 Mg\n0.500000 0.000000 0.605245 Cd\n0.000000 0.500000 0.394754 Cd\n",
"nsites": 4,
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"spacegroup": 59
},
{
"id": "jvasp-92319",
"created_at": "2022-09-04T14:35:53.707298Z",
"updated_at": "2022-09-04T14:35:53.707318Z",
"structure_string": "Mg2 Cd6\n1.0\n4.443011 0.000000 0.000000\n0.000000 4.443011 0.000000\n-0.000000 0.000000 8.858678\nMg Cd\n2 6\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.500000 0.500000 0.000000 Cd\n0.500000 0.000000 0.250000 Cd\n0.000000 0.500000 0.250000 Cd\n0.000000 0.000000 0.500000 Cd\n0.000000 0.500000 0.750000 Cd\n0.500000 0.000000 0.750000 Cd\n",
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]
}