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{
"id": "jvasp-76892",
"created_at": "2022-09-04T14:37:52.756793Z",
"updated_at": "2022-09-04T14:37:52.756807Z",
"structure_string": "Mg2 Zn1 Ga1\n1.0\n-9.790964 0.000000 -5.652814\n-6.378575 0.192114 -0.257613\n-5.480410 2.732509 -1.813282\nMg Zn Ga\n2 1 1\ndirect\n0.753871 0.000000 -0.000000 Mg\n0.246128 0.000000 -0.000000 Mg\n0.000000 0.000000 0.000000 Zn\n0.500000 0.000000 -0.000000 Ga\n",
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{
"id": "jvasp-41700",
"created_at": "2022-09-04T14:37:41.510441Z",
"updated_at": "2022-09-04T14:37:41.510463Z",
"structure_string": "Ca2 Mg1 Tl1\n1.0\n-0.000000 3.859515 3.859515\n3.859515 -0.000000 3.859515\n3.859515 3.859515 0.000000\nCa Mg Tl\n2 1 1\ndirect\n0.499999 0.499999 0.499999 Ca\n0.000000 0.000000 0.000000 Ca\n0.250001 0.250001 0.250001 Mg\n0.750000 0.750000 0.750000 Tl\n",
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"formula_full": "Ca2 Mg1 Tl1",
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{
"id": "jvasp-41174",
"created_at": "2022-09-04T14:37:40.487299Z",
"updated_at": "2022-09-04T14:37:40.487314Z",
"structure_string": "Nd1 Mg1 Hg2\n1.0\n0.000000 3.648471 3.648471\n3.648471 0.000000 3.648471\n3.648471 3.648471 0.000000\nNd Mg Hg\n1 1 2\ndirect\n0.749999 0.749999 0.749999 Nd\n0.250000 0.250000 0.250000 Mg\n0.000000 0.000000 0.000000 Hg\n0.500001 0.500001 0.500001 Hg\n",
"nsites": 4,
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"elements": [
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"density": 9.739871061971622,
"density_atomic": 0.04118103901673164,
"volume": 97.13208057656877,
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"formula_full": "Nd1 Mg1 Hg2",
"formula_reduced": "NdMgHg2",
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"spacegroup": 225
},
{
"id": "jvasp-39064",
"created_at": "2022-09-04T14:37:41.548562Z",
"updated_at": "2022-09-04T14:37:41.548572Z",
"structure_string": "Sm1 Er1 Zn2\n1.0\n-0.000000 3.567999 3.567999\n3.567999 0.000000 3.567999\n3.567999 3.567999 0.000000\nSm Er Zn\n1 1 2\ndirect\n0.750001 0.750001 0.750001 Sm\n0.250001 0.250001 0.250001 Er\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Zn\n",
"nsites": 4,
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"Er",
"Zn"
],
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"density": 8.196838310817501,
"density_atomic": 0.04403072370189102,
"volume": 90.84565648027741,
"volume_molar": 13.67713326897092,
"formula_full": "Sm1 Er1 Zn2",
"formula_reduced": "SmErZn2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-20409",
"created_at": "2022-09-04T14:37:40.348987Z",
"updated_at": "2022-09-04T14:37:40.349007Z",
"structure_string": "Sr2 Ge2\n1.0\n4.207644 0.000000 -0.000000\n-0.000000 4.425836 -1.873188\n0.000000 0.009939 6.188602\nSr Ge\n2 2\ndirect\n0.749999 0.136921 0.273844 Sr\n0.250000 0.863080 0.726156 Sr\n0.749999 0.427592 0.855182 Ge\n0.250000 0.572409 0.144818 Ge\n",
"nsites": 4,
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"elements": [
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"Ge"
],
"chemical_system": "Ge-Sr",
"density": 4.615112272847083,
"density_atomic": 0.034684707025949425,
"volume": 115.32460104124254,
"volume_molar": 17.36252451403013,
"formula_full": "Sr2 Ge2",
"formula_reduced": "SrGe",
"formula_anonymous": "AB",
"energy_above_hull": 0.0,
"spacegroup": 63
},
{
"id": "jvasp-40923",
"created_at": "2022-09-04T14:37:41.487721Z",
"updated_at": "2022-09-04T14:37:41.487737Z",
"structure_string": "Er1 Mg1 Cd2\n1.0\n0.000000 3.559507 3.559507\n3.559507 -0.000000 3.559507\n3.559507 3.559507 -0.000000\nEr Mg Cd\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Er\n0.750002 0.750002 0.750002 Mg\n0.000000 0.000000 0.000000 Cd\n0.500001 0.500001 0.500001 Cd\n",
"nsites": 4,
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"elements": [
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"Mg",
"Cd"
],
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"density": 7.66559140789762,
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"volume": 90.198548682487,
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"formula_full": "Er1 Mg1 Cd2",
"formula_reduced": "ErMgCd2",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-86102",
"created_at": "2022-09-04T14:37:40.302713Z",
"updated_at": "2022-09-04T14:37:40.302745Z",
"structure_string": "Dy1 Ga2 Cu3\n1.0\n5.284899 0.000000 -0.000000\n-2.642450 4.576856 0.000000\n-0.000000 -0.000000 3.978897\nDy Ga Cu\n1 2 3\ndirect\n0.000000 0.000000 0.000000 Dy\n0.666667 0.333333 0.000000 Ga\n0.333333 0.666668 0.000000 Ga\n0.500000 0.000000 0.500000 Cu\n0.000000 0.500000 0.500000 Cu\n0.500000 0.500000 0.500000 Cu\n",
"nsites": 6,
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"elements": [
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"Ga",
"Cu"
],
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"density": 8.498900819947274,
"density_atomic": 0.06234255728244014,
"volume": 96.24244274769273,
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"formula_full": "Dy1 Ga2 Cu3",
"formula_reduced": "DyGa2Cu3",
"formula_anonymous": "AB2C3",
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"spacegroup": 191
},
{
"id": "jvasp-40262",
"created_at": "2022-09-04T14:37:53.067999Z",
"updated_at": "2022-09-04T14:37:53.068027Z",
"structure_string": "Sr2 Cd1 Sn1\n1.0\n0.000000 4.020668 4.020668\n4.020668 -0.000000 4.020668\n4.020668 4.020668 0.000000\nSr Cd Sn\n2 1 1\ndirect\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Sr\n0.250000 0.250000 0.250000 Cd\n0.750000 0.750000 0.750000 Sn\n",
"nsites": 4,
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"volume": 129.994397646719,
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"formula_full": "Sr2 Cd1 Sn1",
"formula_reduced": "Sr2CdSn",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-39994",
"created_at": "2022-09-04T14:37:41.576356Z",
"updated_at": "2022-09-04T14:37:41.576375Z",
"structure_string": "Ca1 Cd1 Hg2\n1.0\n-0.000000 3.640393 3.640393\n3.640393 -0.000000 3.640393\n3.640393 3.640393 0.000000\nCa Cd Hg\n1 1 2\ndirect\n0.249999 0.249999 0.249999 Ca\n0.749999 0.749999 0.749999 Cd\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.500000 Hg\n",
"nsites": 4,
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"elements": [
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"Cd",
"Hg"
],
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"density": 9.528499115048625,
"density_atomic": 0.04145578887182647,
"volume": 96.48833393008755,
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"formula_full": "Ca1 Cd1 Hg2",
"formula_reduced": "CaCdHg2",
"formula_anonymous": "ABC2",
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},
{
"id": "jvasp-39219",
"created_at": "2022-09-04T14:37:47.836130Z",
"updated_at": "2022-09-04T14:37:47.836147Z",
"structure_string": "Ho1 Lu1 Zn2\n1.0\n0.000072 3.500914 3.500801\n3.501037 -0.000039 3.500912\n3.500939 3.500927 0.000058\nHo Lu Zn\n1 1 2\ndirect\n0.250003 0.249993 0.250006 Ho\n0.749997 0.750003 0.749996 Lu\n0.999998 0.000004 0.999997 Zn\n0.500001 0.500002 0.500001 Zn\n",
"nsites": 4,
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],
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"volume": 85.81664491875256,
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"formula_full": "Ho1 Lu1 Zn2",
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"formula_anonymous": "ABC2",
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},
{
"id": "jvasp-58243",
"created_at": "2022-09-04T14:37:40.239873Z",
"updated_at": "2022-09-04T14:37:40.239895Z",
"structure_string": "Ba1 Li1 F3\n1.0\n4.009088 0.000000 -0.000000\n-0.000000 4.009088 0.000000\n-0.000000 -0.000000 4.009088\nBa Li F\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Li\n0.000000 0.500000 0.500000 F\n0.500000 0.500000 0.000000 F\n0.500000 0.000000 0.500000 F\n",
"nsites": 5,
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"Li",
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],
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"density": 5.186527968250374,
"density_atomic": 0.07759491054860523,
"volume": 64.43721585152178,
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"formula_full": "Ba1 Li1 F3",
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"formula_anonymous": "ABC3",
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},
{
"id": "jvasp-39651",
"created_at": "2022-09-04T14:37:41.719519Z",
"updated_at": "2022-09-04T14:37:41.719529Z",
"structure_string": "Yb2 Cd1 Pb1\n1.0\n0.000000 3.787645 3.787645\n3.787645 0.000000 3.787645\n3.787645 3.787645 0.000000\nYb Cd Pb\n2 1 1\ndirect\n0.500002 0.500002 0.500002 Yb\n0.000000 0.000000 0.000000 Yb\n0.250000 0.250000 0.250000 Cd\n0.750000 0.750000 0.750000 Pb\n",
"nsites": 4,
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],
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"volume": 108.6770393574867,
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"formula_full": "Yb2 Cd1 Pb1",
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}
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