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{
"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",
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{
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"structure_string": "Li4 S4\n1.0\n4.501513 0.009090 -6.239048\n-0.462583 4.477692 -6.239048\n-0.008182 -0.009090 7.693457\nLi S\n4 4\ndirect\n0.722874 0.722874 -0.000001 Li\n0.277126 0.277126 -0.000000 Li\n0.000001 0.500000 0.500000 Li\n0.500000 0.000000 0.500000 Li\n0.040125 0.717108 -0.000000 S\n0.717108 0.040124 -0.000001 S\n0.959876 0.959876 0.676984 S\n0.282891 0.282891 0.323015 S\n",
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{
"id": "jvasp-104976",
"created_at": "2022-09-04T14:36:52.755475Z",
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"structure_string": "Ag1 Pd1\n1.0\n2.730725 0.007314 4.109336\n1.246293 2.429746 4.109336\n0.011935 0.007314 4.933899\nAg Pd\n1 1\ndirect\n0.000000 0.000000 0.000000 Ag\n0.500000 0.499999 0.500002 Pd\n",
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"spacegroup": 166
},
{
"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,
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"elements": [
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"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-42018",
"created_at": "2022-09-04T14:37:31.098538Z",
"updated_at": "2022-09-04T14:37:31.098553Z",
"structure_string": "Sr2 Li1 Pt1\n1.0\n0.000000 3.765284 3.765284\n3.765284 0.000000 3.765284\n3.765284 3.765284 -0.000000\nSr Li Pt\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.499999 0.499999 0.499999 Sr\n0.249999 0.249999 0.249999 Li\n0.749999 0.749999 0.749999 Pt\n",
"nsites": 4,
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"elements": [
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"Li",
"Pt"
],
"chemical_system": "Li-Pt-Sr",
"density": 5.86776080157224,
"density_atomic": 0.03746595258536042,
"volume": 106.76360065546484,
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"formula_full": "Sr2 Li1 Pt1",
"formula_reduced": "Sr2LiPt",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.426368505,
"spacegroup": 225
},
{
"id": "jvasp-17431",
"created_at": "2022-09-04T14:37:36.976531Z",
"updated_at": "2022-09-04T14:37:36.976552Z",
"structure_string": "Cd1 Cu2 Sn1 Se4\n1.0\n5.375027 -0.000000 -2.447910\n-1.114835 5.258142 -2.447910\n0.005399 0.006663 7.136946\nCd Cu Sn Se\n1 2 1 4\ndirect\n0.000000 0.000000 0.000000 Cd\n0.250001 0.749999 0.500000 Cu\n0.750001 0.250000 0.500000 Cu\n0.500001 0.500000 0.000000 Sn\n0.395418 0.395417 0.281817 Se\n0.886401 0.886399 0.281817 Se\n0.113601 0.604582 0.718184 Se\n0.604583 0.113600 0.718184 Se\n",
"nsites": 8,
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"volume": 201.88438952744755,
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"formula_full": "Cd1 Cu2 Sn1 Se4",
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"formula_anonymous": "ABC2D4",
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"spacegroup": 121
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{
"id": "jvasp-43916",
"created_at": "2022-09-04T14:36:58.711851Z",
"updated_at": "2022-09-04T14:36:58.711866Z",
"structure_string": "Li8 V4 F16\n1.0\n5.973006 0.000000 0.000000\n0.000000 5.973006 0.000000\n0.000000 0.000000 8.446868\nLi V F\n8 4 16\ndirect\n0.250734 0.250734 0.375000 Li\n0.250734 0.749267 0.125000 Li\n0.284077 0.500000 0.750000 Li\n0.500000 0.284077 0.000000 Li\n0.500000 0.715924 0.500000 Li\n0.715924 0.500000 0.250000 Li\n0.749267 0.250734 0.625000 Li\n0.749267 0.749267 0.875000 Li\n0.731570 0.000000 0.250000 V\n0.268431 0.000000 0.750000 V\n0.000000 0.731570 0.500000 V\n0.000000 0.268431 0.000000 V\n0.747538 0.021014 0.003119 F\n0.747538 0.978987 0.496881 F\n0.744532 0.499708 0.011508 F\n0.744532 0.500293 0.488492 F\n0.500293 0.744532 0.261508 F\n0.500293 0.255469 0.238492 F\n0.499708 0.744532 0.738493 F\n0.021014 0.747538 0.746882 F\n0.255469 0.500293 0.511508 F\n0.255469 0.499708 0.988493 F\n0.252463 0.978987 0.503119 F\n0.252463 0.021014 0.996882 F\n0.978987 0.252463 0.246881 F\n0.021014 0.252463 0.753119 F\n0.499708 0.255469 0.761508 F\n0.978987 0.747538 0.253119 F\n",
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"V",
"F"
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"density_atomic": 0.09291298693640238,
"volume": 301.3572259727868,
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"formula_full": "Li8 V4 F16",
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"formula_anonymous": "AB2C4",
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"spacegroup": 91
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{
"id": "jvasp-111041",
"created_at": "2022-09-04T14:38:40.246383Z",
"updated_at": "2022-09-04T14:38:40.246410Z",
"structure_string": "La2 Ga7 Co1\n1.0\n4.311538 0.000000 0.000000\n0.000000 4.311538 0.000000\n0.000000 0.000000 10.581451\nLa Ga Co\n2 7 1\ndirect\n0.500000 0.000000 0.758212 La\n-0.000000 0.500000 0.241788 La\n-0.000000 0.500000 0.880172 Ga\n0.500000 0.000000 0.359750 Ga\n0.500000 0.000000 0.119827 Ga\n-0.000000 0.500000 0.640250 Ga\n0.000000 0.000000 0.500000 Ga\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Ga\n0.500000 0.500000 -0.000000 Co\n",
"nsites": 10,
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],
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"density": 6.962910167014372,
"density_atomic": 0.0508382202779161,
"volume": 196.7024011724493,
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"formula_full": "La2 Ga7 Co1",
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"formula_anonymous": "AB2C7",
"energy_above_hull": 0.4260107175000002,
"spacegroup": 115
},
{
"id": "jvasp-68796",
"created_at": "2022-09-04T14:36:13.096350Z",
"updated_at": "2022-09-04T14:36:13.096374Z",
"structure_string": "Li1 Be1 Zn1\n1.0\n1.286661 -2.228562 0.000000\n1.286661 2.228562 -0.000000\n0.000000 -0.000000 6.453163\nLi Be Zn\n1 1 1\ndirect\n0.333333 0.666667 0.324378 Li\n0.000000 0.000000 0.997251 Be\n0.666667 0.333333 0.678370 Zn\n",
"nsites": 3,
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"volume": 37.00764836462924,
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"spacegroup": 156
},
{
"id": "jvasp-37626",
"created_at": "2022-09-04T14:37:54.404522Z",
"updated_at": "2022-09-04T14:37:54.404541Z",
"structure_string": "Zr1 Cu2 Hg1\n1.0\n0.000000 3.203223 3.203223\n3.203223 -0.000000 3.203223\n3.203223 3.203223 -0.000000\nZr Cu Hg\n1 2 1\ndirect\n0.750000 0.750000 0.750000 Zr\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.250000 0.250000 0.250000 Hg\n",
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},
{
"id": "jvasp-117855",
"created_at": "2022-09-04T14:38:52.982970Z",
"updated_at": "2022-09-04T14:38:52.982998Z",
"structure_string": "Pb1 Se1 Br1\n1.0\n5.588370 -0.000000 -0.000000\n-2.794185 4.839670 0.000000\n-0.000000 -0.000000 3.131506\nPb Se Br\n1 1 1\ndirect\n0.333334 0.666666 0.000000 Pb\n0.666667 0.333333 0.000000 Se\n0.000000 0.000000 0.000000 Br\n",
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"formula_full": "Pb1 Se1 Br1",
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},
{
"id": "jvasp-122583",
"created_at": "2022-09-04T14:38:54.650264Z",
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"structure_string": "Mg1 Sn7\n1.0\n6.622115 0.000000 0.000000\n-0.000000 6.622115 0.000000\n0.000000 -0.000000 6.622115\nMg Sn\n1 7\ndirect\n0.000000 0.000000 0.500000 Mg\n0.247726 0.247726 0.747726 Sn\n0.000000 0.500000 0.000000 Sn\n0.247726 0.752275 0.252274 Sn\n0.500000 0.000000 0.000000 Sn\n0.752275 0.247726 0.252274 Sn\n0.500000 0.500000 0.500000 Sn\n0.752275 0.752275 0.747726 Sn\n",
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