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{
"id": "jvasp-38411",
"created_at": "2022-09-04T14:38:01.649867Z",
"updated_at": "2022-09-04T14:38:01.649898Z",
"structure_string": "Pr2 B4 Ru4\n1.0\n-3.256071 4.607242 0.000000\n-3.256071 -4.607242 0.000000\n3.256071 0.000000 5.035063\nPr B Ru\n2 4 4\ndirect\n0.000000 0.000000 0.000000 Pr\n0.250000 0.750000 0.499999 Pr\n0.680815 0.319185 0.000000 B\n0.319185 0.680815 0.000000 B\n0.930816 0.069184 0.499999 B\n0.569184 0.430816 0.499999 B\n0.613465 0.113465 0.226930 Ru\n0.636539 0.636539 0.273080 Ru\n0.363459 0.363459 0.726918 Ru\n0.886534 0.386535 0.773069 Ru\n",
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{
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"structure_string": "Cr2 Fe2 Ge4\n1.0\n4.688173 -0.000000 0.000000\n0.000000 4.731466 0.000368\n-0.000000 -0.006772 4.727188\nCr Fe Ge\n2 2 4\ndirect\n0.635058 0.627119 0.892441 Cr\n0.135058 0.372882 0.107560 Cr\n0.365710 0.862293 0.381611 Fe\n0.865710 0.137708 0.618390 Fe\n0.342018 0.337866 0.587087 Ge\n0.842018 0.662135 0.412914 Ge\n0.657213 0.152262 0.096517 Ge\n0.157213 0.847739 0.903484 Ge\n",
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{
"id": "jvasp-23807",
"created_at": "2022-09-04T14:37:37.820412Z",
"updated_at": "2022-09-04T14:37:37.820423Z",
"structure_string": "Zr16 Pd8 O4\n1.0\n7.673750 -0.000000 4.430442\n2.557917 7.234881 4.430442\n-0.000000 -0.000000 8.860884\nZr Pd O\n16 8 4\ndirect\n0.500000 0.500000 -0.000000 Zr\n0.693806 0.693805 0.056194 Zr\n0.056195 0.056195 0.693805 Zr\n0.056195 0.693805 0.693805 Zr\n0.500000 0.000000 0.500000 Zr\n0.306195 0.943805 0.943804 Zr\n0.500000 0.500000 0.499999 Zr\n0.943805 0.306195 0.306194 Zr\n0.056195 0.693805 0.056194 Zr\n0.693805 0.056195 0.056195 Zr\n0.306195 0.306195 0.943805 Zr\n0.943806 0.943805 0.306194 Zr\n0.943805 0.306195 0.943805 Zr\n0.693805 0.056195 0.693805 Zr\n0.306195 0.943805 0.306194 Zr\n0.000000 0.500000 0.500000 Zr\n0.715239 0.715238 0.354284 Pd\n0.284762 0.284762 0.284761 Pd\n0.284762 0.645716 0.284761 Pd\n0.645716 0.284762 0.284761 Pd\n0.715238 0.354284 0.715238 Pd\n0.715239 0.715238 0.715237 Pd\n0.284762 0.284762 0.645715 Pd\n0.354285 0.715238 0.715238 Pd\n0.000000 0.000000 0.000000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 -0.000000 O\n0.000000 0.500000 -0.000000 O\n",
"nsites": 28,
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"elements": [
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],
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"volume": 491.9444776360022,
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"formula_full": "Zr16 Pd8 O4",
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"formula_anonymous": "AB2C4",
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"spacegroup": 227
},
{
"id": "jvasp-100191",
"created_at": "2022-09-04T14:36:37.213107Z",
"updated_at": "2022-09-04T14:36:37.213127Z",
"structure_string": "La2 Zn1 Hg1\n1.0\n4.694694 0.000000 2.710482\n1.564898 4.426200 2.710482\n0.000000 0.000000 5.420966\nLa Zn Hg\n2 1 1\ndirect\n0.250000 0.250000 0.250000 La\n0.750000 0.750000 0.750000 La\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Hg\n",
"nsites": 4,
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"density": 8.01643418821109,
"density_atomic": 0.03550953488740327,
"volume": 112.64580098510298,
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"formula_full": "La2 Zn1 Hg1",
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"spacegroup": 225
},
{
"id": "jvasp-102588",
"created_at": "2022-09-04T14:36:55.678168Z",
"updated_at": "2022-09-04T14:36:55.678189Z",
"structure_string": "Yb1 Ce2 In1\n1.0\n4.763561 0.000000 2.750243\n1.587854 4.491129 2.750243\n0.000000 0.000000 5.500487\nYb Ce In\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Yb\n0.749999 0.750000 0.750000 Ce\n0.250000 0.250000 0.250000 Ce\n0.499999 0.500000 0.500000 In\n",
"nsites": 4,
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},
{
"id": "jvasp-96770",
"created_at": "2022-09-04T14:36:32.920832Z",
"updated_at": "2022-09-04T14:36:32.920854Z",
"structure_string": "Ca4 Si2 Ir4\n1.0\n5.618137 0.047739 0.891781\n2.592117 4.984643 0.891781\n0.042499 0.026049 7.330265\nCa Si Ir\n4 2 4\ndirect\n0.721916 0.986944 0.139132 Ca\n0.013055 0.278085 0.360868 Ca\n0.278085 0.013055 0.860869 Ca\n0.986946 0.721915 0.639132 Ca\n0.570899 0.429102 0.750000 Si\n0.429103 0.570898 0.250000 Si\n0.777004 0.489495 0.989714 Ir\n0.510506 0.222997 0.510286 Ir\n0.222998 0.510505 0.010286 Ir\n0.489496 0.777003 0.489714 Ir\n",
"nsites": 10,
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"Ir"
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"density": 8.016127696564991,
"density_atomic": 0.04899193216988818,
"volume": 204.11524014450447,
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"formula_full": "Ca4 Si2 Ir4",
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"spacegroup": 15
},
{
"id": "jvasp-18475",
"created_at": "2022-09-04T14:36:58.123541Z",
"updated_at": "2022-09-04T14:36:58.123562Z",
"structure_string": "Pb2 Cl1 O2\n1.0\n3.835583 0.000000 -1.104739\n-0.318113 3.822422 -1.104469\n-0.098210 -0.106234 6.869843\nPb Cl O\n2 1 2\ndirect\n0.847568 0.847513 0.695135 Pb\n0.152432 0.152487 0.304864 Pb\n0.500000 0.500000 -0.000000 Cl\n0.749999 0.249995 0.499998 O\n0.250001 0.750006 0.500001 O\n",
"nsites": 5,
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"elements": [
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],
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"volume": 99.81816755458543,
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"formula_full": "Pb2 Cl1 O2",
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"formula_anonymous": "AB2C2",
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"spacegroup": 139
},
{
"id": "jvasp-119086",
"created_at": "2022-09-04T14:38:48.524802Z",
"updated_at": "2022-09-04T14:38:48.524832Z",
"structure_string": "Pr2 Cu18 Sn8\n1.0\n7.783845 -0.015493 -3.991350\n-2.912731 7.218343 -3.991350\n0.010477 0.015493 8.747514\nPr Cu Sn\n2 18 8\ndirect\n0.750000 0.750000 -0.000000 Pr\n0.250000 0.250000 -0.000000 Pr\n0.077025 0.779910 0.500000 Cu\n0.720089 0.422975 0.500000 Cu\n0.422975 0.922974 0.702885 Cu\n0.922975 0.220089 0.500000 Cu\n0.279911 0.577025 0.500000 Cu\n0.577025 0.077025 0.297114 Cu\n0.779911 0.279911 0.702885 Cu\n0.500000 0.000000 0.500000 Cu\n0.220089 0.720089 0.297114 Cu\n0.447592 0.355364 0.500000 Cu\n0.000000 0.500000 0.500000 Cu\n0.644636 0.144636 0.092229 Cu\n0.947592 0.447593 0.092228 Cu\n0.855363 0.947592 0.499999 Cu\n0.355364 0.855363 0.907771 Cu\n0.052408 0.552407 0.907771 Cu\n0.144636 0.052407 0.500000 Cu\n0.552407 0.644636 0.500000 Cu\n0.029397 0.220868 0.250265 Sn\n0.720868 0.529397 0.250265 Sn\n0.279132 0.470603 0.749734 Sn\n0.529397 0.279131 0.808529 Sn\n0.220868 0.970603 0.191470 Sn\n0.470603 0.720868 0.191470 Sn\n0.779131 0.029397 0.808529 Sn\n0.970603 0.779131 0.749734 Sn\n",
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"volume": 492.0610784908196,
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"formula_full": "Pr2 Cu18 Sn8",
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{
"id": "jvasp-75670",
"created_at": "2022-09-04T14:36:04.316551Z",
"updated_at": "2022-09-04T14:36:04.316582Z",
"structure_string": "Cd1 Fe2 As1\n1.0\n0.000000 3.140449 3.140449\n3.140449 0.000000 3.140449\n3.140449 3.140449 -0.000000\nCd Fe As\n1 2 1\ndirect\n0.750000 0.750000 0.750000 Cd\n0.000000 0.000000 0.000000 Fe\n0.250000 0.250000 0.250000 Fe\n0.500000 0.500000 0.500000 As\n",
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"formula_full": "Cd1 Fe2 As1",
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"spacegroup": 216
},
{
"id": "jvasp-39069",
"created_at": "2022-09-04T14:37:55.303620Z",
"updated_at": "2022-09-04T14:37:55.303643Z",
"structure_string": "Sm1 Dy1 Zn2\n1.0\n0.000000 3.581938 3.581938\n3.581938 -0.000000 3.581938\n3.581938 3.581938 -0.000000\nSm Dy Zn\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Sm\n0.249999 0.249999 0.249999 Dy\n0.000000 0.000000 0.000000 Zn\n0.500001 0.500001 0.500001 Zn\n",
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"volume": 91.91453378928678,
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},
{
"id": "jvasp-107340",
"created_at": "2022-09-04T14:36:46.576791Z",
"updated_at": "2022-09-04T14:36:46.576812Z",
"structure_string": "Ga1 Fe1\n1.0\n2.752517 -0.000000 0.000000\n-1.376259 2.383749 0.000000\n0.000000 0.000000 3.964672\nGa Fe\n1 1\ndirect\n0.000000 0.000000 0.500000 Ga\n0.666667 0.333333 -0.000000 Fe\n",
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{
"id": "jvasp-91790",
"created_at": "2022-09-04T14:36:17.480557Z",
"updated_at": "2022-09-04T14:36:17.480587Z",
"structure_string": "Sm2 Co2 Ge4\n1.0\n-0.000000 -0.000000 -4.213416\n-4.207436 -0.000000 -0.000000\n2.103719 8.287273 -0.000000\nSm Co Ge\n2 2 4\ndirect\n0.750001 0.108564 0.217127 Sm\n0.250000 0.891437 0.782872 Sm\n0.750001 0.317544 0.635086 Co\n0.250000 0.682457 0.364913 Co\n0.750001 0.454710 0.909421 Ge\n0.250000 0.545290 0.090579 Ge\n0.750001 0.749585 0.499169 Ge\n0.250000 0.250416 0.500830 Ge\n",
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"formula_full": "Sm2 Co2 Ge4",
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]
}