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{
"id": "jvasp-88665",
"created_at": "2022-09-04T14:36:20.645937Z",
"updated_at": "2022-09-04T14:36:20.645953Z",
"structure_string": "Tb2 Cu2 W4 O16\n1.0\n6.352945 0.012529 -3.057151\n-1.561166 6.469189 -3.009245\n-0.012651 -0.019802 7.361544\nTb Cu W O\n2 2 4 16\ndirect\n0.824266 0.716883 0.551981 Tb\n0.175735 0.283118 0.448018 Tb\n0.274167 0.694222 0.074428 Cu\n0.725833 0.305779 0.925571 Cu\n0.349944 0.889192 0.701987 W\n0.746085 0.703177 0.980308 W\n0.253916 0.296824 0.019691 W\n0.650056 0.110809 0.298012 W\n0.134088 0.982128 0.799841 O\n0.283811 0.980753 0.497312 O\n0.865913 0.017873 0.200158 O\n0.716189 0.019248 0.502687 O\n0.547667 0.452422 0.753265 O\n0.383325 0.183698 0.264473 O\n0.616675 0.816303 0.735526 O\n0.179679 0.628726 0.552694 O\n0.820321 0.371275 0.447305 O\n0.828566 0.667827 0.229503 O\n0.171435 0.332173 0.770496 O\n0.969819 0.693461 0.915305 O\n0.030182 0.306540 0.084694 O\n0.452334 0.547579 0.246734 O\n0.483737 0.828279 0.016312 O\n0.516263 0.171721 0.983687 O\n",
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{
"id": "jvasp-62304",
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"volume": 159.53691506315832,
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},
{
"id": "jvasp-103667",
"created_at": "2022-09-04T14:37:05.186762Z",
"updated_at": "2022-09-04T14:37:05.186784Z",
"structure_string": "Zr3 Sn4 Sb2\n1.0\n5.604049 -0.008015 0.022282\n-2.805161 4.851443 0.022282\n-0.002435 -0.004213 7.678034\nZr Sn Sb\n3 4 2\ndirect\n0.504841 0.010070 0.162651 Zr\n0.989930 0.495158 0.837348 Zr\n0.505620 0.494380 0.499999 Zr\n0.835515 0.164484 0.499999 Sn\n0.169814 0.343024 0.169701 Sn\n0.656977 0.830186 0.830298 Sn\n0.174853 0.825147 0.499999 Sn\n0.834523 0.672070 0.167326 Sb\n0.327929 0.165477 0.832673 Sb\n",
"nsites": 9,
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"elements": [
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"chemical_system": "Sb-Sn-Zr",
"density": 7.897852055290283,
"density_atomic": 0.04314959508921569,
"volume": 208.57669652268316,
"volume_molar": 13.956424730171118,
"formula_full": "Zr3 Sn4 Sb2",
"formula_reduced": "Zr3(Sn2Sb)2",
"formula_anonymous": "A2B3C4",
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"spacegroup": 5
},
{
"id": "jvasp-86058",
"created_at": "2022-09-04T14:36:11.723901Z",
"updated_at": "2022-09-04T14:36:11.723926Z",
"structure_string": "Eu2 Sn2\n1.0\n4.340119 0.000000 -0.000000\n-0.000000 4.194883 -1.754096\n0.000000 0.127644 6.198294\nEu Sn\n2 2\ndirect\n0.750000 0.134370 0.268741 Eu\n0.250000 0.865628 0.731258 Eu\n0.250000 0.593332 0.186666 Sn\n0.750000 0.406666 0.813332 Sn\n",
"nsites": 4,
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"volume": 113.819698721046,
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"formula_full": "Eu2 Sn2",
"formula_reduced": "EuSn",
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"spacegroup": 63
},
{
"id": "jvasp-86657",
"created_at": "2022-09-04T14:35:42.261573Z",
"updated_at": "2022-09-04T14:35:42.261602Z",
"structure_string": "Eu2 Sn2\n1.0\n4.340119 0.000000 -0.000000\n-0.000000 4.194883 -1.754096\n0.000000 0.127644 6.198294\nEu Sn\n2 2\ndirect\n0.750000 0.134370 0.268741 Eu\n0.250000 0.865628 0.731258 Eu\n0.250000 0.593332 0.186666 Sn\n0.750000 0.406666 0.813332 Sn\n",
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{
"id": "jvasp-69747",
"created_at": "2022-09-04T14:36:13.137239Z",
"updated_at": "2022-09-04T14:36:13.137265Z",
"structure_string": "Be1 Zn2 Pd2\n1.0\n-1.657506 1.657506 6.747472\n1.657506 -1.657506 6.747472\n1.657506 1.657506 -6.747472\nBe Zn Pd\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Be\n0.750001 0.250000 0.500001 Zn\n0.250000 0.750001 0.500001 Zn\n0.595512 0.595512 0.000000 Pd\n0.404488 0.404488 0.000000 Pd\n",
"nsites": 5,
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"volume": 74.15002481904395,
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"formula_full": "Be1 Zn2 Pd2",
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"formula_anonymous": "AB2C2",
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"spacegroup": 139
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{
"id": "jvasp-109922",
"created_at": "2022-09-04T14:38:17.542998Z",
"updated_at": "2022-09-04T14:38:17.543024Z",
"structure_string": "Ag6 Br2\n1.0\n6.465941 0.000000 0.000000\n-3.232972 5.599669 0.000000\n-0.000000 -0.000000 4.686327\nAg Br\n6 2\ndirect\n0.148245 0.296490 0.250000 Ag\n0.703510 0.851755 0.250000 Ag\n0.148245 0.851755 0.250000 Ag\n0.851755 0.703510 0.750000 Ag\n0.296490 0.148245 0.750000 Ag\n0.851755 0.148245 0.750000 Ag\n0.333334 0.666667 0.750000 Br\n0.666667 0.333333 0.250000 Br\n",
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"volume": 169.67844797566204,
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"formula_full": "Ag6 Br2",
"formula_reduced": "Ag3Br",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-119016",
"created_at": "2022-09-04T14:38:52.716793Z",
"updated_at": "2022-09-04T14:38:52.716819Z",
"structure_string": "La10 Cr2 Pb6\n1.0\n9.849726 -0.000000 0.000000\n-4.924862 8.530114 0.000000\n-0.000000 0.000000 6.847553\nLa Cr Pb\n10 2 6\ndirect\n0.730872 0.730871 0.750000 La\n0.666667 0.333333 0.500000 La\n0.333333 0.666666 -0.000000 La\n0.666667 0.333333 -0.000000 La\n0.000000 0.730871 0.250000 La\n0.333333 0.666666 0.500000 La\n0.269129 0.269129 0.250000 La\n0.000000 0.269129 0.750000 La\n0.269129 0.000000 0.750000 La\n0.730872 0.000000 0.250000 La\n0.000000 0.000000 0.000000 Cr\n0.000000 0.000000 0.500000 Cr\n0.378824 0.000000 0.250000 Pb\n0.378824 0.378823 0.750000 Pb\n0.621177 0.000000 0.750000 Pb\n0.000000 0.621176 0.750000 Pb\n0.621177 0.621176 0.250000 Pb\n0.000000 0.378823 0.250000 Pb\n",
"nsites": 18,
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"elements": [
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"Cr",
"Pb"
],
"chemical_system": "Cr-La-Pb",
"density": 7.897506515822966,
"density_atomic": 0.03128658186289028,
"volume": 575.3265115020508,
"volume_molar": 19.248317973472826,
"formula_full": "La10 Cr2 Pb6",
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"formula_anonymous": "AB3C5",
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"spacegroup": 193
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{
"id": "jvasp-41503",
"created_at": "2022-09-04T14:37:50.157429Z",
"updated_at": "2022-09-04T14:37:50.157450Z",
"structure_string": "Tm2 Mg1 In1\n1.0\n-0.000000 3.687634 3.687634\n3.687634 0.000000 3.687634\n3.687634 3.687634 0.000000\nTm Mg In\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Tm\n0.499999 0.499999 0.499999 Tm\n0.749999 0.749999 0.749999 Mg\n0.250000 0.250000 0.250000 In\n",
"nsites": 4,
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"elements": [
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],
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"density_atomic": 0.039882884803484744,
"volume": 100.29364775665631,
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"formula_full": "Tm2 Mg1 In1",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-63745",
"created_at": "2022-09-04T14:36:07.548425Z",
"updated_at": "2022-09-04T14:36:07.548436Z",
"structure_string": "Pr2 Ni4 As4\n1.0\n4.254708 0.000000 0.000000\n0.000000 4.254708 0.000000\n0.000000 0.000000 9.482237\nPr Ni As\n2 4 4\ndirect\n0.000000 0.500000 0.752942 Pr\n0.500000 0.000000 0.247058 Pr\n0.500000 0.500000 0.000000 Ni\n0.000000 0.000000 0.000000 Ni\n0.000000 0.500000 0.381995 Ni\n0.500000 0.000000 0.618006 Ni\n0.500000 0.500000 0.500000 As\n0.000000 0.000000 0.500000 As\n0.000000 0.500000 0.128241 As\n0.500000 0.000000 0.871759 As\n",
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"density": 7.896514314901051,
"density_atomic": 0.058257208976092635,
"volume": 171.6525761490524,
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"formula_full": "Pr2 Ni4 As4",
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"spacegroup": 129
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{
"id": "jvasp-79058",
"created_at": "2022-09-04T14:37:13.744984Z",
"updated_at": "2022-09-04T14:37:13.745011Z",
"structure_string": "Na1 Mo3\n1.0\n0.000000 3.197124 3.197124\n3.197124 -0.000000 3.197124\n3.197124 3.197124 -0.000000\nNa Mo\n1 3\ndirect\n0.749999 0.749999 0.749999 Na\n0.000000 0.000000 0.000000 Mo\n0.500000 0.500000 0.500000 Mo\n0.249999 0.249999 0.249999 Mo\n",
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{
"id": "jvasp-50070",
"created_at": "2022-09-04T14:37:01.689075Z",
"updated_at": "2022-09-04T14:37:01.689089Z",
"structure_string": "Sc1 Tl1 O2\n1.0\n3.256632 -0.000000 -0.000000\n-1.628316 0.940109 6.441309\n1.628316 -2.820327 0.000000\nSc Tl O\n1 1 2\ndirect\n0.499999 0.500000 0.500000 Sc\n0.000000 0.000000 0.000000 Tl\n0.221400 0.664201 0.221401 O\n0.778599 0.335799 0.778600 O\n",
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]
}