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{
"id": "jvasp-15148",
"created_at": "2022-09-04T14:36:08.703064Z",
"updated_at": "2022-09-04T14:36:08.703096Z",
"structure_string": "Dy1 Si2 Pt2\n1.0\n3.938255 0.000000 -1.534474\n-0.597881 3.892607 -1.534474\n-0.035437 -0.041295 5.730089\nDy Si Pt\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Dy\n0.619350 0.619349 0.238699 Si\n0.380651 0.380653 0.761304 Si\n0.250000 0.750001 0.500001 Pt\n0.750001 0.250001 0.500001 Pt\n",
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"volume": 87.34361077743407,
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"formula_full": "Dy1 Si2 Pt2",
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{
"id": "jvasp-70152",
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"updated_at": "2022-09-04T14:36:01.969146Z",
"structure_string": "Sr2 Be1 Sb2\n1.0\n-3.152721 3.152721 6.484643\n3.152721 -3.152721 6.484643\n3.152721 3.152721 -6.484643\nSr Be Sb\n2 1 2\ndirect\n0.750000 0.250000 0.500000 Sr\n0.250000 0.750000 0.500000 Sr\n0.000000 0.000000 0.000000 Be\n0.824349 0.824349 0.000000 Sb\n0.175650 0.175650 0.000000 Sb\n",
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"volume": 257.82031949785846,
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"formula_full": "Sr2 Be1 Sb2",
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},
{
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"updated_at": "2022-09-04T14:36:08.060580Z",
"structure_string": "Th1 Si2 Ir2\n1.0\n4.270882 -0.000000 -0.000000\n0.000000 4.270882 0.000000\n-2.135441 -2.135441 4.989381\nTh Si Ir\n1 2 2\ndirect\n0.022996 0.022996 0.045992 Th\n0.773000 0.273001 0.546000 Si\n0.273001 0.773000 0.546000 Si\n0.656599 0.656599 0.313198 Ir\n0.389404 0.389404 0.778807 Ir\n",
"nsites": 5,
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"elements": [
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"Si",
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"density": 12.273034338450824,
"density_atomic": 0.054939941225295635,
"volume": 91.00847013097791,
"volume_molar": 10.961316349620091,
"formula_full": "Th1 Si2 Ir2",
"formula_reduced": "Th(SiIr)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.842747,
"spacegroup": 139
},
{
"id": "jvasp-70426",
"created_at": "2022-09-04T14:36:05.225862Z",
"updated_at": "2022-09-04T14:36:05.225892Z",
"structure_string": "Li2 Be1 Cl2\n1.0\n-2.417380 2.417380 6.343019\n2.417380 -2.417380 6.343019\n2.417380 2.417380 -6.343019\nLi Be Cl\n2 1 2\ndirect\n0.748279 0.748279 0.000000 Li\n0.251721 0.251721 0.000000 Li\n0.000000 0.000000 0.000000 Be\n0.750000 0.250000 0.500000 Cl\n0.250000 0.750000 0.500000 Cl\n",
"nsites": 5,
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"elements": [
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"Be",
"Cl"
],
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"density": 1.0505262904189014,
"density_atomic": 0.03372284072524261,
"volume": 148.26746182913772,
"volume_molar": 17.857750505259887,
"formula_full": "Li2 Be1 Cl2",
"formula_reduced": "Li2BeCl2",
"formula_anonymous": "AB2C2",
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"spacegroup": 139
},
{
"id": "jvasp-92738",
"created_at": "2022-09-04T14:36:01.925786Z",
"updated_at": "2022-09-04T14:36:01.925810Z",
"structure_string": "Sm2 In1 Ni2\n1.0\n0.000000 0.000000 -3.748593\n-3.955881 0.000000 0.000000\n1.977941 7.197225 0.000000\nSm In Ni\n2 1 2\ndirect\n0.500000 0.637167 0.274335 Sm\n0.500000 0.362832 0.725665 Sm\n0.000000 0.000000 0.000000 In\n0.000000 0.800561 0.601122 Ni\n0.000000 0.199439 0.398878 Ni\n",
"nsites": 5,
"nelements": 3,
"elements": [
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"Ni"
],
"chemical_system": "In-Ni-Sm",
"density": 8.291601852325464,
"density_atomic": 0.04684825466729689,
"volume": 106.72756190190204,
"volume_molar": 12.854568014897348,
"formula_full": "Sm2 In1 Ni2",
"formula_reduced": "Sm2InNi2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.880492504,
"spacegroup": 65
},
{
"id": "jvasp-99519",
"created_at": "2022-09-04T14:36:02.022732Z",
"updated_at": "2022-09-04T14:36:02.022762Z",
"structure_string": "Ba2 Pd1 N2\n1.0\n3.941644 -0.000000 -1.171046\n-0.347649 3.926718 -1.170157\n0.021306 0.021453 7.290862\nBa Pd N\n2 1 2\ndirect\n0.853426 0.853427 0.206852 Ba\n0.146574 0.146573 0.793147 Ba\n0.500000 0.500000 0.499999 Pd\n0.355730 0.355730 0.211460 N\n0.644270 0.644270 0.788538 N\n",
"nsites": 5,
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"elements": [
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"density_atomic": 0.04422758844499178,
"volume": 113.05160818837699,
"volume_molar": 13.616253953095496,
"formula_full": "Ba2 Pd1 N2",
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"spacegroup": 139
},
{
"id": "jvasp-15347",
"created_at": "2022-09-04T14:36:07.231290Z",
"updated_at": "2022-09-04T14:36:07.231300Z",
"structure_string": "Ca1 Co2 Ge2\n1.0\n3.731278 0.000000 -1.348050\n-0.487029 3.699358 -1.348050\n0.017845 0.020349 5.887337\nCa Co Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.750000 0.250000 0.500000 Co\n0.249999 0.750001 0.500000 Co\n0.368532 0.368533 0.737064 Ge\n0.631467 0.631468 0.262936 Ge\n",
"nsites": 5,
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"elements": [
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],
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"density": 6.180416631176906,
"density_atomic": 0.06137260086705846,
"volume": 81.46957973690395,
"volume_molar": 9.812425536673585,
"formula_full": "Ca1 Co2 Ge2",
"formula_reduced": "Ca(CoGe)2",
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"spacegroup": 139
},
{
"id": "jvasp-92383",
"created_at": "2022-09-04T14:36:07.116838Z",
"updated_at": "2022-09-04T14:36:07.116865Z",
"structure_string": "U1 Cr2 Si2\n1.0\n3.698088 0.000000 -1.290396\n-0.450266 3.670574 -1.290396\n-0.035794 -0.040453 5.841712\nU Cr Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 U\n0.250000 0.749999 0.499999 Cr\n0.750001 0.250000 0.499999 Cr\n0.616534 0.616534 0.233067 Si\n0.383466 0.383466 0.766932 Si\n",
"nsites": 5,
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"elements": [
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"Cr",
"Si"
],
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"density": 8.37934511438722,
"density_atomic": 0.0633633797677415,
"volume": 78.90993217734759,
"volume_molar": 9.50413437868081,
"formula_full": "U1 Cr2 Si2",
"formula_reduced": "U(CrSi)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 4.613165599999999,
"spacegroup": 139
},
{
"id": "jvasp-70027",
"created_at": "2022-09-04T14:36:08.110828Z",
"updated_at": "2022-09-04T14:36:08.110862Z",
"structure_string": "Be1 Fe2 Si2\n1.0\n-1.669869 1.669869 5.501690\n1.669869 -1.669869 5.501690\n1.669869 1.669869 -5.501690\nBe Fe Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Be\n0.604669 0.604669 0.000000 Fe\n0.395331 0.395331 0.000000 Fe\n0.750000 0.250000 0.500000 Si\n0.250000 0.750000 0.500000 Si\n",
"nsites": 5,
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"elements": [
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],
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"density": 4.786192638548445,
"density_atomic": 0.08147963828619083,
"volume": 61.36502450388762,
"volume_molar": 7.390976306065209,
"formula_full": "Be1 Fe2 Si2",
"formula_reduced": "Be(FeSi)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.20952086,
"spacegroup": 139
},
{
"id": "jvasp-92522",
"created_at": "2022-09-04T14:36:04.573446Z",
"updated_at": "2022-09-04T14:36:04.573473Z",
"structure_string": "Ho2 In1 Ni2\n1.0\n0.000000 0.000000 -3.625700\n-3.887830 -0.000000 0.000000\n1.943916 7.095792 0.000000\nHo In Ni\n2 1 2\ndirect\n0.500000 0.638578 0.277159 Ho\n0.500000 0.361420 0.722841 Ho\n0.000000 0.000000 0.000000 In\n0.000000 0.801737 0.603477 Ni\n0.000000 0.198261 0.396522 Ni\n",
"nsites": 5,
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"elements": [
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"density": 9.331167175205652,
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"formula_full": "Ho2 In1 Ni2",
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"formula_anonymous": "AB2C2",
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"spacegroup": 65
},
{
"id": "jvasp-15318",
"created_at": "2022-09-04T14:36:05.891240Z",
"updated_at": "2022-09-04T14:36:05.891270Z",
"structure_string": "Ho1 Si2 Cu2\n1.0\n3.733636 -0.000000 -1.374816\n-0.506241 3.699157 -1.374816\n-0.008116 -0.009302 5.735149\nHo Si Cu\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ho\n0.617346 0.617346 0.234691 Si\n0.382654 0.382655 0.765309 Si\n0.250000 0.750001 0.500000 Cu\n0.750000 0.250001 0.500000 Cu\n",
"nsites": 5,
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"elements": [
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"density": 7.308260137597684,
"density_atomic": 0.0631996203639398,
"volume": 79.11439928289317,
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"formula_full": "Ho1 Si2 Cu2",
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"formula_anonymous": "AB2C2",
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"spacegroup": 139
},
{
"id": "jvasp-70726",
"created_at": "2022-09-04T14:36:08.088372Z",
"updated_at": "2022-09-04T14:36:08.088414Z",
"structure_string": "Hf2 Be1 Si2\n1.0\n-1.692521 1.692521 7.523157\n1.692521 -1.692521 7.523157\n1.692521 1.692521 -7.523157\nHf Be Si\n2 1 2\ndirect\n0.603088 0.603088 0.000000 Hf\n0.396913 0.396913 0.000000 Hf\n0.000000 0.000000 0.000000 Be\n0.750000 0.250000 0.500000 Si\n0.250000 0.750000 0.500000 Si\n",
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"elements": [
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"volume": 86.20416476405723,
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"formula_full": "Hf2 Be1 Si2",
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"formula_anonymous": "AB2C2",
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"spacegroup": 139
}
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