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{
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{
"id": "jvasp-29376",
"created_at": "2022-09-04T14:37:07.412734Z",
"updated_at": "2022-09-04T14:37:07.412754Z",
"structure_string": "Pb4 O4\n1.0\n5.961250 -0.001342 0.000442\n-0.001141 5.556011 0.000275\n0.000466 0.000171 4.813886\nPb O\n4 4\ndirect\n0.729471 0.510768 0.190052 Pb\n0.270532 0.010582 0.190184 Pb\n0.270529 0.489232 0.690191 Pb\n0.729469 0.989420 0.690059 Pb\n0.638672 0.911475 0.190327 O\n0.361316 0.411364 0.190432 O\n0.638684 0.588634 0.690324 O\n0.361329 0.088526 0.690427 O\n",
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{
"id": "jvasp-12504",
"created_at": "2022-09-04T14:37:32.886458Z",
"updated_at": "2022-09-04T14:37:32.886475Z",
"structure_string": "Cu8 Br8\n1.0\n6.923995 0.000000 0.000000\n-0.000000 6.923995 0.000000\n0.000000 0.000000 6.923995\nCu Br\n8 8\ndirect\n0.616304 0.616304 0.616304 Cu\n0.883697 0.383697 0.116304 Cu\n0.116304 0.883697 0.383697 Cu\n0.383697 0.116304 0.883697 Cu\n0.383697 0.383697 0.383697 Cu\n0.116304 0.616304 0.883697 Cu\n0.883697 0.116304 0.616304 Cu\n0.616304 0.883697 0.116304 Cu\n0.158033 0.158033 0.158033 Br\n0.341968 0.841968 0.658033 Br\n0.658033 0.341968 0.841968 Br\n0.841968 0.658033 0.341968 Br\n0.841968 0.841968 0.841968 Br\n0.658033 0.158033 0.341968 Br\n0.341968 0.658033 0.158033 Br\n0.158033 0.341968 0.658033 Br\n",
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"spacegroup": 205
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{
"id": "jvasp-7825",
"created_at": "2022-09-04T14:37:07.636364Z",
"updated_at": "2022-09-04T14:37:07.636384Z",
"structure_string": "Ge2 Pt6\n1.0\n4.944664 0.032865 2.750140\n-1.547010 4.696546 2.750140\n0.050913 0.070868 5.525492\nGe Pt\n2 6\ndirect\n0.725318 0.725320 0.496049 Ge\n0.274681 0.274682 0.503950 Ge\n0.731351 0.268650 0.499999 Pt\n0.268648 0.731353 0.499999 Pt\n0.272698 0.272698 0.059861 Pt\n0.727302 0.727304 0.940138 Pt\n0.199659 0.800342 -0.000001 Pt\n0.800341 0.199660 -0.000000 Pt\n",
"nsites": 8,
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"elements": [
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"density": 17.24743195891215,
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"volume": 126.68035104659276,
"volume_molar": 9.536086319109938,
"formula_full": "Ge2 Pt6",
"formula_reduced": "GePt3",
"formula_anonymous": "AB3",
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"spacegroup": 12
},
{
"id": "jvasp-57562",
"created_at": "2022-09-04T14:37:19.079232Z",
"updated_at": "2022-09-04T14:37:19.079259Z",
"structure_string": "Ca2 F4\n1.0\n3.487647 0.000000 0.000000\n0.000000 4.148372 0.000000\n0.000000 0.000000 5.939136\nCa F\n2 4\ndirect\n0.000000 0.144464 0.701912 Ca\n0.000000 0.855536 0.201912 Ca\n0.500000 0.091661 0.980300 F\n0.000000 0.632594 0.850790 F\n0.000000 0.367405 0.350790 F\n0.500000 0.908338 0.480299 F\n",
"nsites": 6,
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"elements": [
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"density": 3.0175642295907843,
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"volume": 85.92775913307614,
"volume_molar": 8.624484344846001,
"formula_full": "Ca2 F4",
"formula_reduced": "CaF2",
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"spacegroup": 26
},
{
"id": "jvasp-20258",
"created_at": "2022-09-04T14:37:33.119902Z",
"updated_at": "2022-09-04T14:37:33.119914Z",
"structure_string": "Nb2 Sb4\n1.0\n3.581292 -0.000000 0.895206\n1.626278 5.151407 1.105158\n0.004988 0.002200 7.591156\nNb Sb\n2 4\ndirect\n0.848089 0.113611 0.190211 Nb\n0.151911 0.886390 0.809791 Nb\n0.594403 0.699418 0.111776 Sb\n0.405597 0.300583 0.888225 Sb\n0.148804 0.238566 0.463826 Sb\n0.851196 0.761435 0.536175 Sb\n",
"nsites": 6,
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"elements": [
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],
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"density": 7.979653510453848,
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"volume": 140.0183971128449,
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"formula_full": "Nb2 Sb4",
"formula_reduced": "NbSb2",
"formula_anonymous": "AB2",
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"spacegroup": 12
},
{
"id": "jvasp-103268",
"created_at": "2022-09-04T14:37:07.635476Z",
"updated_at": "2022-09-04T14:37:07.635496Z",
"structure_string": "Li2 Eu6\n1.0\n7.018910 0.000000 0.000000\n-3.509455 6.078554 -0.000000\n0.000000 -0.000000 5.510111\nLi Eu\n2 6\ndirect\n0.666667 0.333333 0.250000 Li\n0.333332 0.666667 0.750000 Li\n0.830196 0.169804 0.750000 Eu\n0.339608 0.169804 0.750000 Eu\n0.830195 0.660392 0.750000 Eu\n0.169803 0.830196 0.250000 Eu\n0.660391 0.830196 0.250000 Eu\n0.169804 0.339608 0.250000 Eu\n",
"nsites": 8,
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"elements": [
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"Eu"
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"volume": 235.08791303873502,
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"formula_full": "Li2 Eu6",
"formula_reduced": "LiEu3",
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"spacegroup": 194
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{
"id": "jvasp-35737",
"created_at": "2022-09-04T14:37:19.093863Z",
"updated_at": "2022-09-04T14:37:19.093896Z",
"structure_string": "Ce2 Au2\n1.0\n-3.869463 0.000000 0.000000\n0.000000 -0.000000 -4.703348\n-1.934732 -5.654470 -0.000000\nCe Au\n2 2\ndirect\n0.138350 0.750000 0.723300 Ce\n0.861649 0.250000 0.276700 Ce\n0.411426 0.750000 0.177147 Au\n0.588573 0.250000 0.822853 Au\n",
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"volume": 102.90813695784831,
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"formula_full": "Ce2 Au2",
"formula_reduced": "CeAu",
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"spacegroup": 63
},
{
"id": "jvasp-52131",
"created_at": "2022-09-04T14:37:19.102487Z",
"updated_at": "2022-09-04T14:37:19.102515Z",
"structure_string": "Cu8 O7\n1.0\n5.839719 -0.003691 -0.162252\n-0.003691 5.839719 -0.162252\n-2.777189 -2.777189 5.242906\nCu O\n8 7\ndirect\n0.011200 0.002869 0.009322 Cu\n0.991827 0.489487 0.982435 Cu\n0.510575 0.505602 0.517675 Cu\n0.510515 0.008174 0.517567 Cu\n0.494399 0.489426 0.982328 Cu\n0.501581 0.002875 0.009354 Cu\n0.997126 0.498420 0.490647 Cu\n0.997132 0.988801 0.490680 Cu\n0.122463 0.368936 0.741211 O\n0.126714 0.873287 0.750001 O\n0.631065 0.877538 0.758791 O\n0.377022 0.622979 0.250001 O\n0.392858 0.139216 0.282261 O\n0.876745 0.123256 0.250001 O\n0.860785 0.607143 0.217740 O\n",
"nsites": 15,
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"elements": [
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"density": 5.936402968695441,
"density_atomic": 0.08644086171191857,
"volume": 173.52904289629242,
"volume_molar": 6.966775481797007,
"formula_full": "Cu8 O7",
"formula_reduced": "Cu8O7",
"formula_anonymous": "A7B8",
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"spacegroup": 119
},
{
"id": "jvasp-78510",
"created_at": "2022-09-04T14:37:12.326326Z",
"updated_at": "2022-09-04T14:37:12.326345Z",
"structure_string": "Ba1 Sb2\n1.0\n-0.133171 0.000000 4.679036\n-2.558899 4.591623 -0.072818\n-2.558899 -4.591623 -0.072818\nBa Sb\n1 2\ndirect\n-0.000000 0.000000 0.500000 Ba\n0.500000 0.339637 0.160363 Sb\n0.500000 0.660363 0.839637 Sb\n",
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"spacegroup": 65
},
{
"id": "jvasp-20236",
"created_at": "2022-09-04T14:37:32.309613Z",
"updated_at": "2022-09-04T14:37:32.309628Z",
"structure_string": "Er1 Pt3\n1.0\n4.098833 -0.000000 0.000000\n0.000000 4.098833 -0.000000\n-0.000000 -0.000000 4.098833\nEr Pt\n1 3\ndirect\n0.000000 0.000000 0.000000 Er\n0.000000 0.500000 0.500000 Pt\n0.500000 0.500000 0.000000 Pt\n0.500000 0.000000 0.500000 Pt\n",
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"spacegroup": 221
},
{
"id": "jvasp-54885",
"created_at": "2022-09-04T14:37:19.115195Z",
"updated_at": "2022-09-04T14:37:19.115209Z",
"structure_string": "Tl4 Pt2\n1.0\n4.907563 0.000000 2.830769\n2.453781 4.972801 1.415384\n-0.030898 0.000000 5.722949\nTl Pt\n4 2\ndirect\n0.659241 0.181515 0.500000 Tl\n0.840757 0.500000 0.818485 Tl\n0.340758 0.818485 0.500000 Tl\n0.159242 0.500000 0.181515 Tl\n0.250000 -0.000000 0.000000 Pt\n0.749999 -0.000000 0.000000 Pt\n",
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"formula_full": "Tl4 Pt2",
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},
{
"id": "jvasp-17677",
"created_at": "2022-09-04T14:37:32.315666Z",
"updated_at": "2022-09-04T14:37:32.315687Z",
"structure_string": "Fe3 Ge1\n1.0\n3.632466 0.000000 0.000000\n-0.000000 3.632466 0.000000\n-0.000000 -0.000000 3.632466\nFe Ge\n3 1\ndirect\n0.000000 0.500000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.000000 0.000000 Ge\n",
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}