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{
"id": "jvasp-59846",
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"structure_string": "Ca4 Ni4 P8 O28\n1.0\n0.000000 7.278300 -0.027866\n8.669420 0.000000 0.000000\n0.000000 -4.080511 -8.050480\nCa Ni P O\n4 4 8 28\ndirect\n0.266112 0.952979 0.104860 Ca\n0.733889 0.452979 0.395140 Ca\n0.266112 0.547021 0.604860 Ca\n0.733889 0.047021 0.895141 Ca\n0.771521 0.070778 0.381683 Ni\n0.228479 0.929222 0.618317 Ni\n0.228479 0.570778 0.118317 Ni\n0.771521 0.429222 0.881683 Ni\n0.041686 0.272424 0.233998 P\n0.524898 0.753476 0.463919 P\n0.041686 0.227576 0.733998 P\n0.524898 0.746524 0.963919 P\n0.958315 0.772424 0.266002 P\n0.475102 0.253476 0.036082 P\n0.958315 0.727576 0.766002 P\n0.475102 0.246524 0.536082 P\n0.053703 0.124689 0.147775 O\n0.885386 0.236017 0.803856 O\n0.458370 0.894441 0.857569 O\n0.609442 0.276532 0.947982 O\n0.390559 0.723468 0.052019 O\n0.541630 0.394441 0.642431 O\n0.458370 0.605559 0.357569 O\n0.053704 0.375311 0.647775 O\n0.114615 0.736017 0.696145 O\n0.443219 0.104716 0.620856 O\n0.986546 0.582461 0.873870 O\n0.556781 0.895284 0.379145 O\n0.254383 0.307817 0.396307 O\n0.013455 0.082461 0.626131 O\n0.114615 0.763983 0.196145 O\n0.013455 0.417539 0.126131 O\n0.986546 0.917539 0.373870 O\n0.609442 0.223468 0.447982 O\n0.541630 0.105559 0.142431 O\n0.556781 0.604716 0.879145 O\n0.390559 0.776532 0.552019 O\n0.745617 0.807817 0.103694 O\n0.443219 0.395284 0.120856 O\n0.946297 0.875311 0.852226 O\n0.946297 0.624689 0.352226 O\n0.254383 0.192183 0.896307 O\n0.885386 0.263983 0.303856 O\n0.745617 0.692183 0.603694 O\n",
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{
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"structure_string": "Ca4 Ni6 O16\n1.0\n2.932932 -5.079986 -0.000000\n2.932932 5.079986 -0.000000\n-0.000000 0.000000 10.353581\nCa Ni O\n4 6 16\ndirect\n0.666667 0.333333 0.973443 Ca\n0.333333 0.666667 0.473443 Ca\n0.666667 0.333333 0.563850 Ca\n0.333333 0.666667 0.063850 Ca\n0.164977 0.329953 0.753423 Ni\n0.835023 0.164976 0.253423 Ni\n0.329953 0.164977 0.253423 Ni\n0.835023 0.670046 0.253423 Ni\n0.670046 0.835023 0.753423 Ni\n0.164976 0.835023 0.753423 Ni\n0.478790 0.521209 0.654821 O\n0.957582 0.478790 0.154821 O\n0.333333 0.666667 0.844576 O\n0.000000 0.000000 0.161355 O\n0.000000 0.000000 0.661355 O\n0.521209 0.478790 0.154821 O\n0.042417 0.521209 0.654821 O\n0.151572 0.848427 0.346179 O\n0.151573 0.303146 0.346179 O\n0.303146 0.151573 0.846179 O\n0.848427 0.151572 0.846179 O\n0.478790 0.957582 0.654821 O\n0.696854 0.848427 0.346179 O\n0.848427 0.696854 0.846179 O\n0.521209 0.042417 0.154821 O\n0.666667 0.333333 0.344576 O\n",
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{
"id": "jvasp-91565",
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"updated_at": "2022-09-04T14:35:54.384713Z",
"structure_string": "Ca4 O4\n1.0\n-2.402139 -2.402107 -0.000000\n-2.402139 2.402107 0.000000\n0.000000 0.000000 -9.679814\nCa O\n4 4\ndirect\n0.749995 0.250005 0.375004 Ca\n0.250005 0.749995 0.624995 Ca\n0.750006 0.249994 0.875004 Ca\n0.249994 0.750006 0.124996 Ca\n0.749962 0.250039 0.124997 O\n0.250039 0.749962 0.875003 O\n0.750039 0.249961 0.624996 O\n0.249961 0.750039 0.375003 O\n",
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{
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"updated_at": "2022-09-04T14:36:35.275746Z",
"structure_string": "Ca4 P2 O1\n1.0\n4.319117 0.000000 -1.232562\n-0.351741 4.304771 -1.232562\n-0.009044 -0.009813 8.152067\nCa P O\n4 2 1\ndirect\n0.826773 0.826772 0.653545 Ca\n0.173228 0.173228 0.346456 Ca\n0.000000 0.500000 0.000000 Ca\n0.500000 0.000000 0.000000 Ca\n0.636307 0.636307 0.272615 P\n0.363694 0.363694 0.727386 P\n0.000000 0.000000 0.000000 O\n",
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{
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"created_at": "2022-09-04T14:38:10.561540Z",
"updated_at": "2022-09-04T14:38:10.561560Z",
"structure_string": "Ca4 P4 Pt4\n1.0\n4.318346 0.000000 0.000000\n0.000000 6.591569 0.000000\n0.000000 0.000000 8.405725\nCa P Pt\n4 4 4\ndirect\n0.000000 0.864549 0.127384 Ca\n0.000000 0.931878 0.585222 Ca\n0.000000 0.431878 0.414778 Ca\n0.000000 0.364549 0.872615 Ca\n0.500000 0.169288 0.071033 P\n0.500000 0.747480 0.383572 P\n0.500000 0.669288 0.928967 P\n0.500000 0.247480 0.616427 P\n0.500000 0.116483 0.342592 Pt\n0.500000 0.496123 0.169449 Pt\n0.500000 0.996123 0.830551 Pt\n0.500000 0.616483 0.657408 Pt\n",
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"density": 7.388068422870409,
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"volume": 239.266235516894,
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"formula_full": "Ca4 P4 Pt4",
"formula_reduced": "CaPPt",
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{
"id": "jvasp-45400",
"created_at": "2022-09-04T14:37:05.940805Z",
"updated_at": "2022-09-04T14:37:05.940823Z",
"structure_string": "Ca4 P4 S12\n1.0\n0.000000 6.548404 0.002718\n7.283498 0.000000 0.000000\n0.000000 -6.192883 -9.184805\nCa P S\n4 4 12\ndirect\n0.712639 0.618612 0.752767 Ca\n0.287362 0.118611 0.747234 Ca\n0.287361 0.381389 0.247234 Ca\n0.712639 0.881389 0.252766 Ca\n0.363467 0.609857 0.933312 P\n0.636533 0.109857 0.566689 P\n0.636533 0.390144 0.066689 P\n0.363467 0.890144 0.433311 P\n0.778282 0.304504 0.952618 S\n0.221719 0.804504 0.547383 S\n0.113913 0.493018 0.737748 S\n0.886088 0.993018 0.762252 S\n0.886087 0.506983 0.262252 S\n0.416640 0.190965 0.066347 S\n0.583361 0.809035 0.933653 S\n0.416640 0.309035 0.566348 S\n0.778281 0.195496 0.452618 S\n0.583360 0.690965 0.433653 S\n0.113913 0.006982 0.237748 S\n0.221718 0.695496 0.047382 S\n",
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{
"id": "jvasp-87924",
"created_at": "2022-09-04T14:35:42.740092Z",
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"structure_string": "Ca4 Pb2 Au4\n1.0\n3.754961 0.000000 -0.000000\n-0.000000 8.169854 -0.000000\n0.000000 -0.000000 8.169854\nCa Pb Au\n4 2 4\ndirect\n0.500000 0.172397 0.672397 Ca\n0.500000 0.327603 0.172397 Ca\n0.500000 0.672397 0.827603 Ca\n0.500000 0.827603 0.327603 Ca\n0.000000 0.000000 0.000000 Pb\n0.000000 0.500000 0.500000 Pb\n0.000000 0.624101 0.124101 Au\n0.000000 0.875898 0.624101 Au\n0.000000 0.124101 0.375898 Au\n0.000000 0.375898 0.875898 Au\n",
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{
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"created_at": "2022-09-04T14:37:16.336622Z",
"updated_at": "2022-09-04T14:37:16.336649Z",
"structure_string": "Ca4 Pb2 N4\n1.0\n3.567131 0.000000 0.000000\n0.000000 3.571601 0.000000\n-0.000000 -0.000000 13.965414\nCa Pb N\n4 2 4\ndirect\n0.750000 0.751770 0.080531 Ca\n0.750000 0.751770 0.419469 Ca\n0.250000 0.248230 0.919469 Ca\n0.250000 0.248230 0.580531 Ca\n0.750000 0.643884 0.750000 Pb\n0.250000 0.356116 0.250000 Pb\n0.750000 0.773851 0.590748 N\n0.750000 0.773851 0.909251 N\n0.250000 0.226149 0.409252 N\n0.250000 0.226149 0.090748 N\n",
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"formula_full": "Ca4 Pb2 N4",
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{
"id": "jvasp-12362",
"created_at": "2022-09-04T14:38:15.336479Z",
"updated_at": "2022-09-04T14:38:15.336496Z",
"structure_string": "Ca4 Pb2 O8\n1.0\n3.416172 0.000000 0.000000\n0.000000 5.874429 0.000000\n0.000000 -0.000000 9.828445\nCa Pb O\n4 2 8\ndirect\n0.500000 0.426863 0.818333 Ca\n0.500000 0.573137 0.181666 Ca\n0.500000 0.926863 0.681666 Ca\n0.500000 0.073137 0.318334 Ca\n0.000000 0.500000 0.500000 Pb\n0.000000 0.000000 0.000000 Pb\n0.000000 0.140433 0.797347 O\n0.000000 0.859567 0.202653 O\n0.000000 0.640433 0.702652 O\n0.000000 0.359567 0.297347 O\n0.500000 0.257448 0.547761 O\n0.500000 0.742552 0.452238 O\n0.500000 0.242552 0.047762 O\n0.500000 0.757448 0.952238 O\n",
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{
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"structure_string": "Ca4 Pb4 O12\n1.0\n5.712273 0.000000 0.000000\n0.000000 5.971596 0.000000\n0.000000 0.000000 8.253439\nCa Pb O\n4 4 12\ndirect\n0.980947 0.062135 0.250000 Ca\n0.480947 0.437865 0.750000 Ca\n0.519053 0.562136 0.250000 Ca\n0.019053 0.937865 0.750000 Ca\n0.500000 0.000000 0.000000 Pb\n0.000000 0.500000 0.000000 Pb\n0.000000 0.500000 0.500000 Pb\n0.500000 0.000000 0.500000 Pb\n0.632004 0.063670 0.750000 O\n0.132004 0.436330 0.250000 O\n0.688965 0.305680 0.069307 O\n0.188965 0.194320 0.930693 O\n0.811034 0.805681 0.430693 O\n0.188965 0.194320 0.569307 O\n0.311034 0.694320 0.930693 O\n0.811034 0.805681 0.069307 O\n0.367995 0.936330 0.250000 O\n0.688965 0.305680 0.430693 O\n0.311034 0.694320 0.569307 O\n0.867995 0.563671 0.750000 O\n",
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{
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"updated_at": "2022-09-04T14:36:57.409252Z",
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{
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"structure_string": "Ca4 Re4 N12\n1.0\n-3.078018 5.165935 -1.625504\n0.072911 -0.008206 -7.324004\n-5.199470 -5.093293 0.818715\nCa Re N\n4 4 12\ndirect\n0.750001 0.915363 0.915364 Ca\n0.750001 0.304464 0.304465 Ca\n0.250000 0.084635 0.084636 Ca\n0.250000 0.695534 0.695535 Ca\n0.261900 0.619243 0.200119 Re\n0.238100 0.200119 0.619244 Re\n0.738100 0.380755 0.799881 Re\n0.761901 0.799880 0.380757 Re\n0.539065 0.656445 0.361117 N\n0.338364 0.384523 0.112158 N\n0.658838 0.992647 0.229035 N\n0.161637 0.112157 0.384523 N\n0.838364 0.887841 0.615477 N\n0.341163 0.007352 0.770965 N\n0.841163 0.229033 0.992647 N\n0.158837 0.770965 0.007353 N\n0.661637 0.615475 0.887842 N\n0.960936 0.361115 0.656446 N\n0.039065 0.638883 0.343554 N\n0.460936 0.343553 0.638883 N\n",
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]
}