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{
"id": "jvasp-79697",
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"updated_at": "2022-09-04T14:36:52.171900Z",
"structure_string": "Li2 Zn1 Pd1\n1.0\n-8.488284 -0.000000 -4.900714\n-5.556740 0.134252 -0.176871\n-4.744962 2.430307 -1.582912\nLi Zn Pd\n2 1 1\ndirect\n0.744702 0.000000 0.000000 Li\n0.255297 0.000000 0.000000 Li\n0.000000 0.000000 0.000000 Zn\n0.500000 0.000000 0.000000 Pd\n",
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{
"id": "jvasp-80069",
"created_at": "2022-09-04T14:36:46.220983Z",
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"structure_string": "Li1 Zn2 Pd1\n1.0\n-0.000000 3.050593 3.050593\n3.050593 0.000000 3.050593\n3.050593 3.050593 -0.000000\nLi Zn Pd\n1 2 1\ndirect\n0.250000 0.250000 0.250000 Li\n0.499999 0.499999 0.499999 Zn\n0.000000 0.000000 0.000000 Zn\n0.750000 0.750000 0.750000 Pd\n",
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{
"id": "jvasp-40357",
"created_at": "2022-09-04T14:37:49.832172Z",
"updated_at": "2022-09-04T14:37:49.832204Z",
"structure_string": "Li1 Zn1 Pd2\n1.0\n-0.000000 3.020360 3.020360\n3.020360 0.000000 3.020360\n3.020360 3.020360 0.000000\nLi Zn Pd\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Li\n0.750000 0.750000 0.750000 Zn\n0.000000 0.000000 0.000000 Pd\n0.500000 0.500000 0.500000 Pd\n",
"nsites": 4,
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"elements": [
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],
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"density": 8.593642142339489,
"density_atomic": 0.07258616731318879,
"volume": 55.106918412445324,
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"formula_full": "Li1 Zn1 Pd2",
"formula_reduced": "LiZnPd2",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-41098",
"created_at": "2022-09-04T14:38:12.543455Z",
"updated_at": "2022-09-04T14:38:12.543485Z",
"structure_string": "Li1 Yb2 Pd1\n1.0\n-0.000000 3.526494 3.526494\n3.526494 0.000000 3.526494\n3.526494 3.526494 -0.000000\nYb Li Pd\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Yb\n0.499999 0.499999 0.499999 Yb\n0.250000 0.250000 0.250000 Li\n0.749999 0.749999 0.749999 Pd\n",
"nsites": 4,
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"elements": [
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"Li",
"Pd"
],
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"density": 8.6979999840472,
"density_atomic": 0.04560374912340136,
"volume": 87.71208676673072,
"volume_molar": 13.205363321564642,
"formula_full": "Li1 Yb2 Pd1",
"formula_reduced": "LiYb2Pd",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.078006775,
"spacegroup": 225
},
{
"id": "jvasp-109052",
"created_at": "2022-09-04T14:37:48.672354Z",
"updated_at": "2022-09-04T14:37:48.672384Z",
"structure_string": "Li1 Y1 Pd2\n1.0\n4.062268 -0.000000 2.345352\n1.354089 3.829943 2.345352\n-0.000000 -0.000000 4.690703\nLi Y Pd\n1 1 2\ndirect\n0.500000 0.500000 0.499999 Li\n0.000000 0.000000 0.000000 Y\n0.250000 0.250000 0.250000 Pd\n0.750001 0.749999 0.749999 Pd\n",
"nsites": 4,
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"elements": [
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"Y",
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],
"chemical_system": "Li-Pd-Y",
"density": 7.023739704659262,
"density_atomic": 0.05481017306396585,
"volume": 72.97915289068375,
"volume_molar": 10.987268281331461,
"formula_full": "Li1 Y1 Pd2",
"formula_reduced": "LiYPd2",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-51132",
"created_at": "2022-09-04T14:37:03.154065Z",
"updated_at": "2022-09-04T14:37:03.154093Z",
"structure_string": "Li1 Pd1 W2\n1.0\n-0.000000 3.094240 3.094240\n3.094240 -0.000000 3.094240\n3.094240 3.094240 0.000000\nLi Pd W\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Pd\n0.750000 0.750000 0.750000 W\n0.250000 0.250000 0.250000 W\n",
"nsites": 4,
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"elements": [
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"Pd",
"W"
],
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"density": 13.481530770384088,
"density_atomic": 0.06750998437769831,
"volume": 59.250495121154046,
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"formula_full": "Li1 Pd1 W2",
"formula_reduced": "LiPdW2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.717068925,
"spacegroup": 225
},
{
"id": "jvasp-40450",
"created_at": "2022-09-04T14:38:10.517803Z",
"updated_at": "2022-09-04T14:38:10.517822Z",
"structure_string": "Li1 Tm1 Pd2\n1.0\n0.000003 3.274269 3.274263\n3.274265 0.000004 3.274262\n3.274265 3.274267 0.000004\nLi Tm Pd\n1 1 2\ndirect\n0.250000 0.250001 0.250002 Li\n0.749998 0.750001 0.750002 Tm\n0.000000 0.000000 0.000000 Pd\n0.499999 0.500000 0.500002 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Tm",
"Pd"
],
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"density": 9.194112681964821,
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"volume": 70.20544715019545,
"volume_molar": 10.569677121430448,
"formula_full": "Li1 Tm1 Pd2",
"formula_reduced": "LiTmPd2",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-16814",
"created_at": "2022-09-04T14:38:19.363505Z",
"updated_at": "2022-09-04T14:38:19.363525Z",
"structure_string": "Li1 Tl1 Pd2\n1.0\n3.736004 0.000000 -1.838577\n-0.904808 3.624783 -1.838577\n0.049260 0.063068 4.815183\nLi Tl Pd\n1 1 2\ndirect\n0.499999 0.500000 -0.000001 Li\n0.000000 0.000000 0.000000 Tl\n0.249999 0.750000 0.499999 Pd\n0.749999 0.250000 0.499999 Pd\n",
"nsites": 4,
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"density": 10.65978933258144,
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"volume": 66.07460699567828,
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"formula_full": "Li1 Tl1 Pd2",
"formula_reduced": "LiTlPd2",
"formula_anonymous": "ABC2",
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"spacegroup": 139
},
{
"id": "jvasp-99386",
"created_at": "2022-09-04T14:36:31.127042Z",
"updated_at": "2022-09-04T14:36:31.127063Z",
"structure_string": "Li1 Tl2 Pd1\n1.0\n4.187092 -0.000000 2.417419\n1.395697 3.947628 2.417419\n0.000000 -0.000000 4.834837\nLi Tl Pd\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Li\n0.250000 0.250000 0.250000 Tl\n0.750000 0.750000 0.750001 Tl\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 4,
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"elements": [
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],
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"volume": 79.91541538164326,
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"formula_full": "Li1 Tl2 Pd1",
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"spacegroup": 225
},
{
"id": "jvasp-80031",
"created_at": "2022-09-04T14:37:13.799892Z",
"updated_at": "2022-09-04T14:37:13.799918Z",
"structure_string": "Li2 Tl1 Pd1\n1.0\n0.000000 3.167903 3.167903\n3.167903 -0.000000 3.167903\n3.167903 3.167903 0.000000\nLi Tl Pd\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.499999 0.499999 0.499999 Li\n0.749998 0.749998 0.749998 Tl\n0.250000 0.250000 0.250000 Pd\n",
"nsites": 4,
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"elements": [
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],
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"formula_full": "Li2 Tl1 Pd1",
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},
{
"id": "jvasp-101405",
"created_at": "2022-09-04T14:36:44.634079Z",
"updated_at": "2022-09-04T14:36:44.634106Z",
"structure_string": "Li1 Ti1 Pd2\n1.0\n3.769694 0.000000 2.176434\n1.256565 3.554102 2.176434\n0.000000 0.000000 4.352868\nLi Ti Pd\n1 1 2\ndirect\n0.499999 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Ti\n0.249999 0.250000 0.250000 Pd\n0.749998 0.750000 0.750000 Pd\n",
"nsites": 4,
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"elements": [
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],
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},
{
"id": "jvasp-41723",
"created_at": "2022-09-04T14:37:31.606280Z",
"updated_at": "2022-09-04T14:37:31.606301Z",
"structure_string": "Li1 Te1 Pd2\n1.0\n-0.000000 3.229038 3.229038\n3.229038 -0.000000 3.229038\n3.229038 3.229038 0.000000\nLi Te Pd\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Li\n0.750000 0.750000 0.750000 Te\n0.000000 0.000000 0.000000 Pd\n0.500001 0.500001 0.500001 Pd\n",
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"elements": [
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}
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}