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{
"id": "jvasp-16637",
"created_at": "2022-09-04T14:38:32.165957Z",
"updated_at": "2022-09-04T14:38:32.165968Z",
"structure_string": "Li4 Ca2\n1.0\n5.296153 0.000000 3.057735\n1.765384 4.993260 3.057735\n0.000000 0.000000 6.115470\nLi Ca\n4 2\ndirect\n0.500000 -0.000000 0.500000 Li\n-0.000000 0.500000 0.500000 Li\n0.499999 0.500000 0.500000 Li\n0.499999 0.500000 -0.000000 Li\n0.125000 0.125000 0.125000 Ca\n0.874999 0.875000 0.874999 Ca\n",
"nsites": 6,
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"elements": [
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"volume": 161.72402568188625,
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"formula_full": "Li4 Ca2",
"formula_reduced": "Li2Ca",
"formula_anonymous": "AB2",
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"spacegroup": 227
},
{
"id": "jvasp-107946",
"created_at": "2022-09-04T14:35:55.948641Z",
"updated_at": "2022-09-04T14:35:55.948662Z",
"structure_string": "Li2 Ca6\n1.0\n7.426781 -0.000000 0.000000\n-3.713390 6.431781 0.000000\n-0.000000 -0.000000 6.060517\nLi Ca\n2 6\ndirect\n0.333333 0.666667 0.750000 Li\n0.666667 0.333333 0.250000 Li\n0.168341 0.336683 0.250000 Ca\n0.663317 0.831658 0.250000 Ca\n0.168341 0.831658 0.250000 Ca\n0.831658 0.663317 0.750000 Ca\n0.336683 0.168341 0.750000 Ca\n0.831658 0.168341 0.750000 Ca\n",
"nsites": 8,
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"elements": [
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"density": 1.4589462751923585,
"density_atomic": 0.027634298670406367,
"volume": 289.4953150581389,
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"formula_full": "Li2 Ca6",
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{
"id": "jvasp-79042",
"created_at": "2022-09-04T14:37:17.204601Z",
"updated_at": "2022-09-04T14:37:17.204615Z",
"structure_string": "Li1 Ca3\n1.0\n-2.581065 2.581065 5.473405\n2.581065 -2.581065 5.473405\n2.581065 2.581065 -5.473405\nLi Ca\n1 3\ndirect\n0.000000 0.000000 0.000000 Li\n0.750000 0.250000 0.500000 Ca\n0.250000 0.750000 0.500000 Ca\n0.500000 0.500000 0.000000 Ca\n",
"nsites": 4,
"nelements": 2,
"elements": [
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"chemical_system": "Ca-Li",
"density": 1.4478893860340796,
"density_atomic": 0.02742486712206154,
"volume": 145.85303119963916,
"volume_molar": 21.958687103922465,
"formula_full": "Li1 Ca3",
"formula_reduced": "LiCa3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0095224999999999,
"spacegroup": 139
},
{
"id": "jvasp-56519",
"created_at": "2022-09-04T14:37:00.695793Z",
"updated_at": "2022-09-04T14:37:00.695817Z",
"structure_string": "Li8 Ca4\n1.0\n3.058545 -5.297557 -0.000000\n3.058545 5.297557 -0.000000\n-0.000000 -0.000000 9.949728\nLi Ca\n8 4\ndirect\n0.167232 0.832769 0.250000 Li\n0.167232 0.334463 0.250000 Li\n0.334463 0.167232 0.750000 Li\n0.832769 0.167232 0.750000 Li\n0.665539 0.832770 0.250000 Li\n0.000000 0.000000 0.000000 Li\n0.832770 0.665539 0.750000 Li\n0.000000 0.000000 0.500000 Li\n0.333334 0.666668 0.562115 Ca\n0.666668 0.333334 0.437886 Ca\n0.666668 0.333334 0.062114 Ca\n0.333334 0.666668 0.937886 Ca\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Li",
"Ca"
],
"chemical_system": "Ca-Li",
"density": 1.1116019829694657,
"density_atomic": 0.03721769984905833,
"volume": 322.4272335116814,
"volume_molar": 16.18085154220612,
"formula_full": "Li8 Ca4",
"formula_reduced": "Li2Ca",
"formula_anonymous": "AB2",
"energy_above_hull": 0.3416022222222222,
"spacegroup": 194
},
{
"id": "jvasp-38480",
"created_at": "2022-09-04T14:38:30.475350Z",
"updated_at": "2022-09-04T14:38:30.475366Z",
"structure_string": "Li3 Ca1\n1.0\n-2.296215 2.296215 4.837044\n2.296215 -2.296215 4.837044\n2.296215 2.296215 -4.837044\nLi Ca\n3 1\ndirect\n0.750001 0.250000 0.500000 Li\n0.250000 0.750001 0.500000 Li\n0.499999 0.499999 0.000000 Li\n0.000000 0.000000 0.000000 Ca\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Li",
"Ca"
],
"chemical_system": "Ca-Li",
"density": 0.99130750180029,
"density_atomic": 0.039209821279442586,
"volume": 102.01525713398672,
"volume_molar": 15.358755953211556,
"formula_full": "Li3 Ca1",
"formula_reduced": "Li3Ca",
"formula_anonymous": "AB3",
"energy_above_hull": 0.4720016666666668,
"spacegroup": 139
},
{
"id": "jvasp-19712",
"created_at": "2022-09-04T14:38:28.407970Z",
"updated_at": "2022-09-04T14:38:28.407987Z",
"structure_string": "Li2 Cd2\n1.0\n4.093798 -0.000000 2.363556\n1.364600 3.859670 2.363556\n-0.000000 -0.000000 4.727111\nLi Cd\n2 2\ndirect\n0.625000 0.625000 0.625001 Li\n0.375000 0.375000 0.375000 Li\n0.125000 0.125000 0.125000 Cd\n0.875000 0.875000 0.875001 Cd\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Li",
"Cd"
],
"chemical_system": "Cd-Li",
"density": 5.306845083424886,
"density_atomic": 0.05355346889024533,
"volume": 74.69170686585707,
"volume_molar": 11.245099308771245,
"formula_full": "Li2 Cd2",
"formula_reduced": "LiCd",
"formula_anonymous": "AB",
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"spacegroup": 227
},
{
"id": "jvasp-108930",
"created_at": "2022-09-04T14:38:28.257354Z",
"updated_at": "2022-09-04T14:38:28.257382Z",
"structure_string": "Li1 Cd3\n1.0\n3.155816 -0.000000 0.000000\n-1.577908 2.733017 0.000000\n-0.000000 -0.000000 9.640690\nLi Cd\n1 3\ndirect\n0.333334 0.666667 -0.000000 Li\n0.333334 0.666667 0.500000 Cd\n0.000000 0.000000 0.230869 Cd\n0.000000 0.000000 0.769131 Cd\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Li",
"Cd"
],
"chemical_system": "Cd-Li",
"density": 6.8732957530400585,
"density_atomic": 0.04810584707063475,
"volume": 83.14997538920211,
"volume_molar": 12.518521399607774,
"formula_full": "Li1 Cd3",
"formula_reduced": "LiCd3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0077775,
"spacegroup": 187
},
{
"id": "jvasp-40435",
"created_at": "2022-09-04T14:38:03.218775Z",
"updated_at": "2022-09-04T14:38:03.218801Z",
"structure_string": "Li3 Cd1\n1.0\n-0.000000 3.289440 3.289440\n3.289440 -0.000000 3.289440\n3.289440 3.289440 -0.000000\nLi Cd\n3 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.250001 0.250001 0.250001 Li\n0.749999 0.749999 0.749999 Cd\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Li",
"Cd"
],
"chemical_system": "Cd-Li",
"density": 3.107908762025646,
"density_atomic": 0.05619065415921978,
"volume": 71.18621521411276,
"volume_molar": 10.717335204776013,
"formula_full": "Li3 Cd1",
"formula_reduced": "Li3Cd",
"formula_anonymous": "AB3",
"energy_above_hull": 0.4266350000000001,
"spacegroup": 225
},
{
"id": "jvasp-38446",
"created_at": "2022-09-04T14:38:02.411784Z",
"updated_at": "2022-09-04T14:38:02.411813Z",
"structure_string": "Li3 Cd1\n1.0\n-2.139668 2.139668 3.895982\n2.139668 -2.139668 3.895982\n2.139668 2.139668 -3.895982\nLi Cd\n3 1\ndirect\n0.750000 0.250000 0.500000 Li\n0.250000 0.750000 0.500000 Li\n0.500000 0.500000 0.000000 Li\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Li",
"Cd"
],
"chemical_system": "Cd-Li",
"density": 3.100947745024046,
"density_atomic": 0.05606479972497364,
"volume": 71.34601424819199,
"volume_molar": 10.741393511689443,
"formula_full": "Li3 Cd1",
"formula_reduced": "Li3Cd",
"formula_anonymous": "AB3",
"energy_above_hull": 0.4263800000000001,
"spacegroup": 139
},
{
"id": "jvasp-39389",
"created_at": "2022-09-04T14:37:50.371540Z",
"updated_at": "2022-09-04T14:37:50.371569Z",
"structure_string": "Li1 Cd3\n1.0\n-0.000000 3.432752 3.432752\n3.432752 0.000000 3.432752\n3.432752 3.432752 0.000000\nLi Cd\n1 3\ndirect\n0.749999 0.749999 0.749999 Li\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.500000 Cd\n0.250001 0.250001 0.250001 Cd\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Li",
"Cd"
],
"chemical_system": "Cd-Li",
"density": 7.064312042307211,
"density_atomic": 0.04944276035498185,
"volume": 80.90163193319687,
"volume_molar": 12.180025380385562,
"formula_full": "Li1 Cd3",
"formula_reduced": "LiCd3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-108643",
"created_at": "2022-09-04T14:38:18.051441Z",
"updated_at": "2022-09-04T14:38:18.051450Z",
"structure_string": "Li1 Ce3\n1.0\n4.697411 -0.000000 0.000000\n0.000000 4.697411 0.000000\n0.000000 0.000000 4.697411\nLi Ce\n1 3\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 -0.000000 Ce\n-0.000000 0.500000 0.500000 Ce\n0.500000 0.000000 0.500000 Ce\n",
"nsites": 4,
"nelements": 2,
"elements": [
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"Ce"
],
"chemical_system": "Ce-Li",
"density": 6.845341652568296,
"density_atomic": 0.03859084694087916,
"volume": 103.65152146383222,
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"formula_full": "Li1 Ce3",
"formula_reduced": "LiCe3",
"formula_anonymous": "AB3",
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"spacegroup": 221
},
{
"id": "jvasp-23864",
"created_at": "2022-09-04T14:37:35.318328Z",
"updated_at": "2022-09-04T14:37:35.318348Z",
"structure_string": "Li1 Cl1\n1.0\n3.120028 0.000000 1.801349\n1.040009 2.941591 1.801349\n0.000000 0.000000 3.602698\nLi Cl\n1 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.500001 0.500000 0.500000 Cl\n",
"nsites": 2,
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"elements": [
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],
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"density": 2.1290450685389906,
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"volume": 33.06500845364851,
"volume_molar": 9.956106756923061,
"formula_full": "Li1 Cl1",
"formula_reduced": "LiCl",
"formula_anonymous": "AB",
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"spacegroup": 225
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]
}