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{
"id": "jvasp-39130",
"created_at": "2022-09-04T14:38:30.273033Z",
"updated_at": "2022-09-04T14:38:30.273069Z",
"structure_string": "Mg2 Cd4\n1.0\n2.790141 -4.832665 0.000000\n2.790141 4.832665 0.000000\n0.000000 0.000000 4.842314\nMg Cd\n2 4\ndirect\n0.333333 0.666667 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.662654 -0.000000 0.000000 Cd\n0.000000 0.000000 0.500000 Cd\n-0.000000 0.662654 0.000000 Cd\n0.337346 0.337346 0.000000 Cd\n",
"nsites": 6,
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"density": 6.335838608166524,
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"formula_full": "Mg2 Cd4",
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"spacegroup": 189
},
{
"id": "jvasp-91866",
"created_at": "2022-09-04T14:35:46.169419Z",
"updated_at": "2022-09-04T14:35:46.169451Z",
"structure_string": "Mg7 Cd1\n1.0\n6.332018 0.000000 0.000000\n-3.166009 5.483688 0.000000\n0.000000 -0.000000 5.136831\nMg Cd\n7 1\ndirect\n0.164965 0.832482 0.250000 Mg\n0.667518 0.335036 0.250000 Mg\n0.667518 0.832482 0.250000 Mg\n0.333143 0.166858 0.750000 Mg\n0.333143 0.666287 0.750000 Mg\n0.833713 0.166858 0.750000 Mg\n0.833333 0.666667 0.750000 Mg\n0.166667 0.333333 0.250000 Cd\n",
"nsites": 8,
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"formula_anonymous": "AB7",
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{
"id": "jvasp-93324",
"created_at": "2022-09-04T14:35:42.275315Z",
"updated_at": "2022-09-04T14:35:42.275339Z",
"structure_string": "Mg4 Cd2\n1.0\n3.250074 0.000000 -0.000000\n-1.625037 2.814647 -0.000000\n-0.000000 -0.000000 14.606751\nMg Cd\n4 2\ndirect\n0.333332 0.666668 0.913650 Mg\n0.333332 0.666668 0.586350 Mg\n0.666666 0.333333 0.413650 Mg\n0.666666 0.333333 0.086350 Mg\n0.666666 0.333333 0.750000 Cd\n0.333332 0.666668 0.250000 Cd\n",
"nsites": 6,
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"elements": [
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"density": 4.002126408082383,
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"volume": 133.6197979669085,
"volume_molar": 13.41128719465808,
"formula_full": "Mg4 Cd2",
"formula_reduced": "Mg2Cd",
"formula_anonymous": "AB2",
"energy_above_hull": 0.2922841176470587,
"spacegroup": 194
},
{
"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",
"nsites": 6,
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"elements": [
"Mg",
"Cd"
],
"chemical_system": "Cd-Mg",
"density": 4.001251229490777,
"density_atomic": 0.04489370602923274,
"volume": 133.64902412140074,
"volume_molar": 13.41422059492851,
"formula_full": "Mg4 Cd2",
"formula_reduced": "Mg2Cd",
"formula_anonymous": "AB2",
"energy_above_hull": 0.2925374509803921,
"spacegroup": 187
},
{
"id": "jvasp-93528",
"created_at": "2022-09-04T14:36:06.786615Z",
"updated_at": "2022-09-04T14:36:06.786641Z",
"structure_string": "Mg2 Cd4\n1.0\n3.280850 0.000000 0.000000\n-1.640424 2.841299 0.000000\n0.000000 0.000000 14.238652\nMg Cd\n2 4\ndirect\n0.333334 0.666667 0.165266 Mg\n0.333334 0.666667 0.834734 Mg\n0.333334 0.666667 0.500000 Cd\n0.000000 0.000000 0.330017 Cd\n0.000000 0.000000 0.000000 Cd\n0.000000 0.000000 0.669982 Cd\n",
"nsites": 6,
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"elements": [
"Mg",
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],
"chemical_system": "Cd-Mg",
"density": 6.233438832279969,
"density_atomic": 0.04520422846156285,
"volume": 132.73094584728506,
"volume_molar": 13.322073985004801,
"formula_full": "Mg2 Cd4",
"formula_reduced": "MgCd2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.3435213725490195,
"spacegroup": 187
},
{
"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",
"nsites": 8,
"nelements": 2,
"elements": [
"Mg",
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],
"chemical_system": "Cd-Mg",
"density": 3.5208414636878604,
"density_atomic": 0.045763687545838205,
"volume": 174.81108776444148,
"volume_molar": 13.159212211577254,
"formula_full": "Mg6 Cd2",
"formula_reduced": "Mg3Cd",
"formula_anonymous": "AB3",
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"spacegroup": 139
},
{
"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": [
"Mg",
"Cd"
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"chemical_system": "Cd-Mg",
"density": 6.942272608584727,
"density_atomic": 0.04625499157226884,
"volume": 172.95430672602745,
"volume_molar": 13.019439751904402,
"formula_full": "Mg2 Cd6",
"formula_reduced": "MgCd3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.1734048529411764,
"spacegroup": 194
},
{
"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",
"energy_above_hull": 0.1522664705882352,
"spacegroup": 194
},
{
"id": "jvasp-123911",
"created_at": "2022-09-04T14:38:55.111461Z",
"updated_at": "2022-09-04T14:38:55.111495Z",
"structure_string": "Mg1 Cd1\n1.0\n1.635153 -2.832172 -0.000000\n1.635153 2.832172 -0.000000\n0.000000 0.000000 4.727492\nMg Cd\n1 1\ndirect\n0.333332 0.666666 0.250000 Mg\n0.666666 0.333332 0.750000 Cd\n",
"nsites": 2,
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"elements": [
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"density": 5.184771512996187,
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"volume": 43.786357501045096,
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"formula_full": "Mg1 Cd1",
"formula_reduced": "MgCd",
"formula_anonymous": "AB",
"energy_above_hull": null,
"spacegroup": 187
},
{
"id": "jvasp-92270",
"created_at": "2022-09-04T14:36:21.523121Z",
"updated_at": "2022-09-04T14:36:21.523147Z",
"structure_string": "Mg4 Cd4\n1.0\n5.882226 0.000000 0.000000\n-0.000000 5.882226 0.000000\n-0.000000 -0.000000 5.882226\nMg Cd\n4 4\ndirect\n0.500000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.500000 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Cd\n0.500000 0.000000 0.500000 Cd\n0.500000 0.500000 0.000000 Cd\n",
"nsites": 8,
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"formula_full": "Mg4 Cd4",
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"spacegroup": 225
},
{
"id": "jvasp-93533",
"created_at": "2022-09-04T14:36:15.980900Z",
"updated_at": "2022-09-04T14:36:15.980934Z",
"structure_string": "Mg5 Cd1\n1.0\n3.213769 -0.000000 0.000000\n-1.606885 2.783206 0.000000\n-0.000000 -0.000000 15.128786\nMg Cd\n5 1\ndirect\n0.000000 0.000000 0.839680 Mg\n0.333335 0.666668 0.670328 Mg\n0.000000 0.000000 0.500000 Mg\n0.333335 0.666668 0.329673 Mg\n0.000000 0.000000 0.160320 Mg\n0.333335 0.666668 0.000000 Cd\n",
"nsites": 6,
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"spacegroup": 187
},
{
"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",
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]
}