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{
"id": "jvasp-79478",
"created_at": "2022-09-04T14:37:17.106682Z",
"updated_at": "2022-09-04T14:37:17.106708Z",
"structure_string": "Mg1 Cd3\n1.0\n3.281655 -0.000000 0.000000\n-1.640828 2.841996 0.000000\n0.000000 -0.000000 9.524348\nMg Cd\n1 3\ndirect\n0.000000 0.000000 0.500000 Mg\n0.000000 0.000000 0.000000 Cd\n0.666666 0.333333 0.745565 Cd\n0.666666 0.333333 0.254436 Cd\n",
"nsites": 4,
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{
"id": "jvasp-79197",
"created_at": "2022-09-04T14:37:12.325828Z",
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"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",
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{
"id": "jvasp-78306",
"created_at": "2022-09-04T14:37:13.089662Z",
"updated_at": "2022-09-04T14:37:13.089690Z",
"structure_string": "Mg1 Cd1\n1.0\n3.268713 -0.000000 -0.000000\n-1.634357 2.830788 -0.000000\n-0.000000 -0.000000 4.724225\nMg Cd\n1 1\ndirect\n0.333332 0.666668 0.500001 Mg\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 2,
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"elements": [
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"density": 5.193423409298006,
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"volume": 43.71341235587262,
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"formula_full": "Mg1 Cd1",
"formula_reduced": "MgCd",
"formula_anonymous": "AB",
"energy_above_hull": 0.6006944117647057,
"spacegroup": 187
},
{
"id": "jvasp-16479",
"created_at": "2022-09-04T14:37:49.032632Z",
"updated_at": "2022-09-04T14:37:49.032644Z",
"structure_string": "Mg2 Cd2\n1.0\n3.257815 0.000000 0.000000\n0.000000 4.986599 -0.000000\n0.000000 0.000000 5.205042\nMg Cd\n2 2\ndirect\n0.499999 0.250000 0.308855 Mg\n0.499999 0.750000 0.691145 Mg\n0.000000 0.250000 0.810540 Cd\n0.000000 0.750000 0.189460 Cd\n",
"nsites": 4,
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"elements": [
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"density": 5.369617301147624,
"density_atomic": 0.04730476495218868,
"volume": 84.5580779027828,
"volume_molar": 12.730516188140092,
"formula_full": "Mg2 Cd2",
"formula_reduced": "MgCd",
"formula_anonymous": "AB",
"energy_above_hull": 0.5811544117647058,
"spacegroup": 51
},
{
"id": "jvasp-93314",
"created_at": "2022-09-04T14:36:32.867162Z",
"updated_at": "2022-09-04T14:36:32.867187Z",
"structure_string": "Mg3 Cd3\n1.0\n3.281858 -0.000000 0.000000\n-1.640929 2.842172 0.000000\n0.000000 -0.000000 14.253830\nMg Cd\n3 3\ndirect\n0.333333 0.666666 0.166667 Mg\n0.000000 0.000000 0.500000 Mg\n0.666667 0.333333 0.833333 Mg\n0.000000 0.000000 0.000000 Cd\n0.666667 0.333333 0.333333 Cd\n0.333333 0.666666 0.666667 Cd\n",
"nsites": 6,
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"elements": [
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"density": 5.122570901232194,
"density_atomic": 0.045128358101408805,
"volume": 132.95409477378467,
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"formula_full": "Mg3 Cd3",
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"spacegroup": 166
},
{
"id": "jvasp-94277",
"created_at": "2022-09-04T14:36:33.476407Z",
"updated_at": "2022-09-04T14:36:33.476428Z",
"structure_string": "Mg2 Cd4\n1.0\n5.906865 0.000000 0.000000\n-0.000000 5.906865 0.000000\n0.000000 0.000000 5.185022\nMg Cd\n2 4\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.328520 0.328520 0.000000 Cd\n0.671479 0.671479 0.000000 Cd\n0.828520 0.171479 0.500000 Cd\n0.171479 0.828520 0.500000 Cd\n",
"nsites": 6,
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"elements": [
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"density": 4.573357982613013,
"density_atomic": 0.03316550055997493,
"volume": 180.91088325803744,
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"formula_full": "Mg2 Cd4",
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"formula_anonymous": "AB2",
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"spacegroup": 136
},
{
"id": "jvasp-18648",
"created_at": "2022-09-04T14:37:02.196669Z",
"updated_at": "2022-09-04T14:37:02.196690Z",
"structure_string": "Mg6 Cd2\n1.0\n3.142468 -5.442914 -0.000000\n3.142468 5.442914 0.000000\n0.000000 -0.000000 5.061597\nMg Cd\n6 2\ndirect\n0.664306 0.832153 0.250000 Mg\n0.832153 0.167848 0.750000 Mg\n0.335695 0.167848 0.750000 Mg\n0.167848 0.832153 0.250000 Mg\n0.167848 0.335695 0.250000 Mg\n0.832153 0.664306 0.750000 Mg\n0.666667 0.333333 0.250000 Cd\n0.333333 0.666667 0.750000 Cd\n",
"nsites": 8,
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"elements": [
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"density": 3.554639391776155,
"density_atomic": 0.04620299100118588,
"volume": 173.14896344686142,
"volume_molar": 13.034092879063678,
"formula_full": "Mg6 Cd2",
"formula_reduced": "Mg3Cd",
"formula_anonymous": "AB3",
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"spacegroup": 194
},
{
"id": "jvasp-18649",
"created_at": "2022-09-04T14:37:00.695085Z",
"updated_at": "2022-09-04T14:37:00.695121Z",
"structure_string": "Mg2 Cd6\n1.0\n3.126094 -5.414555 -0.000000\n3.126094 5.414555 0.000000\n-0.000000 0.000000 5.109008\nMg Cd\n2 6\ndirect\n0.666666 0.333332 0.250000 Mg\n0.333332 0.666666 0.750000 Mg\n0.167360 0.334720 0.250000 Cd\n0.832639 0.665279 0.750000 Cd\n0.832639 0.167360 0.750000 Cd\n0.665279 0.832639 0.250000 Cd\n0.167360 0.832639 0.250000 Cd\n0.334720 0.167360 0.750000 Cd\n",
"nsites": 8,
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"elements": [
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"formula_full": "Mg2 Cd6",
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"spacegroup": 194
},
{
"id": "jvasp-38940",
"created_at": "2022-09-04T14:37:55.604478Z",
"updated_at": "2022-09-04T14:37:55.604512Z",
"structure_string": "Mg3 Cd1\n1.0\n4.434987 0.000000 0.000000\n0.000000 4.434987 0.000000\n-0.000000 -0.000000 4.434987\nMg Cd\n3 1\ndirect\n0.500000 0.500000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 4,
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"elements": [
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"density": 3.527836069264439,
"density_atomic": 0.04585460301232945,
"volume": 87.23224577747351,
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"formula_full": "Mg3 Cd1",
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"spacegroup": 221
},
{
"id": "jvasp-118679",
"created_at": "2022-09-04T14:38:28.197142Z",
"updated_at": "2022-09-04T14:38:28.197166Z",
"structure_string": "Mg2 Cd1\n1.0\n3.120186 0.000000 0.000000\n0.000000 3.070983 0.000000\n0.000000 0.000000 7.909885\nMg Cd\n2 1\ndirect\n-0.033325 0.000000 0.683213 Mg\n-0.033325 0.000000 0.316788 Mg\n0.466649 0.000000 0.000000 Cd\n",
"nsites": 3,
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"density": 3.527796713158755,
"density_atomic": 0.039581585731021066,
"volume": 75.79281993365986,
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"spacegroup": 47
},
{
"id": "jvasp-93526",
"created_at": "2022-09-04T14:36:04.017153Z",
"updated_at": "2022-09-04T14:36:04.017180Z",
"structure_string": "Mg4 Cd2\n1.0\n3.249573 0.000000 -0.000000\n-1.624785 2.814212 0.000000\n-0.000000 -0.000000 14.614457\nMg Cd\n4 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.666666 0.333333 0.826396 Mg\n0.666666 0.333333 0.500000 Mg\n0.666666 0.333333 0.173604 Mg\n0.000000 0.000000 0.662965 Cd\n0.000000 0.000000 0.337036 Cd\n",
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},
{
"id": "jvasp-91920",
"created_at": "2022-09-04T14:36:05.856239Z",
"updated_at": "2022-09-04T14:36:05.856258Z",
"structure_string": "Mg6 Cd2\n1.0\n4.440547 -0.000000 0.000000\n-0.000000 4.440547 -0.000000\n0.000000 -0.000000 8.865353\nMg Cd\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 Cd\n0.500000 0.500000 0.500000 Cd\n",
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]
}