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{
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"results": [
{
"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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"formula_full": "Pr2 Cu18 Sn8",
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{
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"created_at": "2022-09-04T14:36:58.123541Z",
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"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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"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-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,
"nelements": 3,
"elements": [
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"Si",
"Ir"
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"density": 8.016127696564991,
"density_atomic": 0.04899193216988818,
"volume": 204.11524014450447,
"volume_molar": 12.292107074114085,
"formula_full": "Ca4 Si2 Ir4",
"formula_reduced": "Ca2SiIr2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.289968328,
"spacegroup": 15
},
{
"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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"elements": [
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"Ce",
"In"
],
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"density": 8.016371564038153,
"density_atomic": 0.033991598486001987,
"volume": 117.67613699153432,
"volume_molar": 17.716556526401565,
"formula_full": "Yb1 Ce2 In1",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"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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"elements": [
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"Hg"
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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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},
{
"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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"Pd",
"O"
],
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"density": 8.01652114613533,
"density_atomic": 0.056916992207233716,
"volume": 491.9444776360022,
"volume_molar": 10.580567465816705,
"formula_full": "Zr16 Pd8 O4",
"formula_reduced": "Zr4Pd2O",
"formula_anonymous": "AB2C4",
"energy_above_hull": 3.569626128571429,
"spacegroup": 227
},
{
"id": "jvasp-108944",
"created_at": "2022-09-04T14:38:27.402894Z",
"updated_at": "2022-09-04T14:38:27.402922Z",
"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",
"nsites": 8,
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],
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"density": 8.016876002442604,
"density_atomic": 0.07629353026493574,
"volume": 104.85817044013199,
"volume_molar": 7.893383277831826,
"formula_full": "Cr2 Fe2 Ge4",
"formula_reduced": "CrFeGe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.4498787,
"spacegroup": 4
},
{
"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",
"nsites": 10,
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"elements": [
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"B",
"Ru"
],
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"density": 8.016945253177047,
"density_atomic": 0.06619576484707497,
"volume": 151.0670663463431,
"volume_molar": 9.097471377379371,
"formula_full": "Pr2 B4 Ru4",
"formula_reduced": "Pr(BRu)2",
"formula_anonymous": "AB2C2",
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"spacegroup": 70
},
{
"id": "jvasp-36676",
"created_at": "2022-09-04T14:37:27.478045Z",
"updated_at": "2022-09-04T14:37:27.478064Z",
"structure_string": "Cu1 Ni3 N1\n1.0\n3.745256 -0.000000 -0.000000\n-0.000000 3.745256 0.000000\n0.000000 -0.000000 3.745256\nCu Ni N\n1 3 1\ndirect\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500001 0.500001 Ni\n0.500001 0.500001 0.000000 Ni\n0.500001 0.000000 0.500001 Ni\n0.500001 0.500001 0.500001 N\n",
"nsites": 5,
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"density": 8.016968174071756,
"density_atomic": 0.09517556836945168,
"volume": 52.53449058051373,
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"formula_full": "Cu1 Ni3 N1",
"formula_reduced": "CuNi3N",
"formula_anonymous": "ABC3",
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"spacegroup": 221
},
{
"id": "jvasp-36774",
"created_at": "2022-09-04T14:38:02.380572Z",
"updated_at": "2022-09-04T14:38:02.380598Z",
"structure_string": "H2 Au2 O4\n1.0\n3.085827 0.000000 0.000000\n0.000000 4.554483 0.000000\n0.000000 0.000000 6.778039\nH Au O\n2 2 4\ndirect\n0.000000 0.322802 0.742093 H\n0.500000 0.822802 0.257908 H\n0.500000 0.789045 0.756054 Au\n0.000000 0.289046 0.243946 Au\n0.500000 0.545348 0.160346 O\n0.500000 0.029183 0.334637 O\n0.000000 0.529183 0.665363 O\n0.000000 0.045348 0.839654 O\n",
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"elements": [
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"density_atomic": 0.08397988267656795,
"volume": 95.26090945864298,
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"formula_full": "H2 Au2 O4",
"formula_reduced": "HAuO2",
"formula_anonymous": "ABC2",
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},
{
"id": "jvasp-85386",
"created_at": "2022-09-04T14:36:06.982855Z",
"updated_at": "2022-09-04T14:36:06.982878Z",
"structure_string": "Ce4 Zn8 Ru2\n1.0\n5.178041 -0.000000 0.000000\n-0.000000 7.171653 0.000000\n-0.000000 -0.000000 7.171653\nCe Zn Ru\n4 8 2\ndirect\n0.780036 0.250000 0.250000 Ce\n0.000000 0.750000 0.250000 Ce\n0.219964 0.750000 0.750000 Ce\n0.000000 0.250000 0.750000 Ce\n0.289785 0.434578 0.434578 Zn\n0.289785 0.434578 0.065421 Zn\n0.289785 0.065421 0.065421 Zn\n0.710215 0.934578 0.565421 Zn\n0.289785 0.065421 0.434578 Zn\n0.710215 0.934578 0.934578 Zn\n0.710215 0.565421 0.934578 Zn\n0.710215 0.565421 0.565421 Zn\n0.500000 0.250000 0.750000 Ru\n0.500000 0.750000 0.250000 Ru\n",
"nsites": 14,
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"spacegroup": 129
},
{
"id": "jvasp-39772",
"created_at": "2022-09-04T14:37:41.285345Z",
"updated_at": "2022-09-04T14:37:41.285363Z",
"structure_string": "Li1 Si1 Ru2\n1.0\n0.000000 2.906711 2.906712\n2.906712 0.000000 2.906712\n2.906712 2.906712 -0.000001\nLi Si Ru\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Li\n0.750001 0.750000 0.750000 Si\n0.000000 0.000000 0.000000 Ru\n0.500001 0.500001 0.500001 Ru\n",
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"volume": 49.117472011186564,
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}
]
}