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{
"id": "jvasp-26114",
"created_at": "2022-09-04T14:38:33.845037Z",
"updated_at": "2022-09-04T14:38:33.845062Z",
"structure_string": "Na6 P2 S2 O6\n1.0\n6.221332 0.005986 0.555110\n0.508316 6.200534 0.555110\n0.006490 0.005986 6.246044\nNa P S O\n6 2 2 6\ndirect\n0.494318 0.118006 0.811058 Na\n0.811059 0.494319 0.118005 Na\n0.118006 0.811058 0.494318 Na\n0.618006 0.994318 0.311058 Na\n0.311059 0.618006 0.994318 Na\n0.994318 0.311059 0.618005 Na\n0.093010 0.093010 0.093010 P\n0.593010 0.593010 0.593009 P\n0.414264 0.414264 0.414263 S\n0.914264 0.914264 0.914263 S\n0.136868 0.305890 0.955719 O\n0.955719 0.136869 0.305889 O\n0.305890 0.955719 0.136868 O\n0.805889 0.636868 0.455719 O\n0.455720 0.805889 0.636867 O\n0.636868 0.455720 0.805888 O\n",
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{
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"structure_string": "Na6 P2 S6 O2\n1.0\n5.907320 0.000000 0.000000\n0.000000 7.344971 -1.442535\n0.000000 -0.008726 7.485281\nNa P S O\n6 2 6 2\ndirect\n0.252970 0.085909 0.318160 Na\n0.705065 0.369456 0.630544 Na\n0.205065 0.630544 0.369456 Na\n0.252970 0.681839 0.914090 Na\n0.752970 0.914090 0.681839 Na\n0.752970 0.318160 0.085909 Na\n0.145784 0.205302 0.794697 P\n0.645784 0.794697 0.205302 P\n0.273379 0.951544 0.687123 S\n0.229346 0.381075 0.618925 S\n0.729346 0.618925 0.381075 S\n0.773379 0.048455 0.312876 S\n0.273379 0.312877 0.048455 S\n0.773379 0.687123 0.951544 S\n0.885207 0.195514 0.804486 O\n0.385206 0.804486 0.195514 O\n",
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"formula_full": "Na6 P2 S6 O2",
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{
"id": "jvasp-89096",
"created_at": "2022-09-04T14:35:55.512452Z",
"updated_at": "2022-09-04T14:35:55.512478Z",
"structure_string": "Na2 Sn4 P6 O24\n1.0\n7.572103 -0.083713 4.850975\n2.610977 7.108203 4.850975\n-0.121355 -0.083713 8.991884\nNa Sn P O\n2 4 6 24\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.499999 Na\n0.644949 0.644950 0.644949 Sn\n0.855050 0.855051 0.855049 Sn\n0.355050 0.355050 0.355050 Sn\n0.144950 0.144950 0.144950 Sn\n0.042963 0.750000 0.457036 P\n0.542963 0.957037 0.249999 P\n0.249999 0.542964 0.957036 P\n0.457036 0.042964 0.749999 P\n0.957036 0.250001 0.542962 P\n0.750000 0.457037 0.042963 P\n0.618359 0.012849 0.790870 O\n0.881639 0.709130 0.487151 O\n0.709129 0.487152 0.881639 O\n0.487152 0.881640 0.709128 O\n0.012848 0.790871 0.618360 O\n0.790871 0.618360 0.012847 O\n0.773021 0.418073 0.562621 O\n0.512848 0.118361 0.290870 O\n0.418072 0.562622 0.773021 O\n0.562621 0.773022 0.418071 O\n0.937377 0.081928 0.726978 O\n0.081927 0.726979 0.937378 O\n0.726978 0.937378 0.081927 O\n0.226978 0.581928 0.437378 O\n0.290871 0.512848 0.118360 O\n0.581927 0.437379 0.226978 O\n0.062622 0.918072 0.273021 O\n0.918072 0.273022 0.062621 O\n0.273021 0.062622 0.918072 O\n0.381640 0.987152 0.209128 O\n0.209129 0.381640 0.987151 O\n0.987151 0.209130 0.381639 O\n0.437378 0.226979 0.581927 O\n0.118360 0.290871 0.512848 O\n",
"nsites": 36,
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"elements": [
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],
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"density_atomic": 0.07314197687840521,
"volume": 492.19342348167805,
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"formula_full": "Na2 Sn4 P6 O24",
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"formula_anonymous": "AB2C3D12",
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},
{
"id": "jvasp-35200",
"created_at": "2022-09-04T14:38:14.759817Z",
"updated_at": "2022-09-04T14:38:14.759845Z",
"structure_string": "Na2 Sr2 P6 O18\n1.0\n6.874642 0.000139 0.017779\n0.909408 7.108095 -0.007660\n1.307560 0.666686 7.583093\nNa Sr P O\n2 2 6 18\ndirect\n0.460077 0.371707 0.349058 Na\n0.539923 0.628293 0.650942 Na\n0.011629 0.729791 0.642420 Sr\n0.988371 0.270209 0.357580 Sr\n0.397779 0.881111 0.273610 P\n0.206133 0.662619 0.050791 P\n0.602221 0.118889 0.726390 P\n0.164011 0.209644 0.732633 P\n0.835989 0.790356 0.267366 P\n0.793867 0.337382 0.949208 P\n0.259028 0.652717 0.856093 O\n0.354155 0.733074 0.424453 O\n0.645845 0.266926 0.575547 O\n0.313175 0.831274 0.103309 O\n0.686825 0.168727 0.896691 O\n0.231128 0.489576 0.174653 O\n0.768872 0.510424 0.825347 O\n0.740972 0.347283 0.143907 O\n0.633020 0.854053 0.195171 O\n0.028700 0.255029 0.919119 O\n0.822675 0.616391 0.396633 O\n0.177325 0.383609 0.603366 O\n0.662182 0.914961 0.700874 O\n0.366980 0.145947 0.804828 O\n0.916231 0.946726 0.337913 O\n0.083769 0.053274 0.662087 O\n0.971300 0.744971 0.080881 O\n0.337818 0.085039 0.299126 O\n",
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"formula_full": "Na2 Sr2 P6 O18",
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},
{
"id": "jvasp-88041",
"created_at": "2022-09-04T14:36:13.701739Z",
"updated_at": "2022-09-04T14:36:13.701772Z",
"structure_string": "Na4 Sr2 P8 O24\n1.0\n5.000683 0.000000 0.000000\n-0.000000 9.889241 -0.000000\n-0.000000 0.000000 9.889241\nNa Sr P O\n4 2 8 24\ndirect\n0.500000 0.000000 0.500000 Na\n0.500000 0.500000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.500000 0.000000 0.000000 Na\n0.500000 0.250000 0.250000 Sr\n0.500000 0.750000 0.750000 Sr\n0.000000 0.963214 0.250000 P\n0.000000 0.463214 0.750000 P\n0.000000 0.750000 0.463214 P\n0.000000 0.750000 0.036786 P\n0.000000 0.036786 0.750000 P\n0.000000 0.250000 0.536786 P\n0.000000 0.536786 0.250000 P\n0.000000 0.250000 0.963214 P\n0.771563 0.312878 0.037449 O\n0.771563 0.037449 0.187122 O\n0.771563 0.462551 0.312878 O\n0.771563 0.812878 0.962551 O\n0.228437 0.687122 0.962551 O\n0.771563 0.962551 0.687122 O\n0.771563 0.687122 0.537448 O\n0.228437 0.812878 0.537448 O\n0.771563 0.187122 0.462551 O\n0.771563 0.537448 0.812878 O\n0.228437 0.312878 0.462551 O\n0.867101 0.640115 0.140115 O\n0.228437 0.462551 0.187122 O\n0.228437 0.187122 0.037449 O\n0.867101 0.140115 0.859885 O\n0.867101 0.359885 0.640115 O\n0.867101 0.859885 0.359885 O\n0.228437 0.962551 0.812878 O\n0.132899 0.859885 0.140115 O\n0.132899 0.359885 0.859885 O\n0.132899 0.140115 0.640115 O\n0.132899 0.640115 0.359885 O\n0.228437 0.037449 0.312878 O\n0.228437 0.537448 0.687122 O\n",
"nsites": 38,
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"elements": [
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],
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"density": 3.0523993744242746,
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"formula_full": "Na4 Sr2 P8 O24",
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},
{
"id": "jvasp-107713",
"created_at": "2022-09-04T14:36:58.304730Z",
"updated_at": "2022-09-04T14:36:58.304760Z",
"structure_string": "Na2 Pt1 O6\n1.0\n5.844210 0.000000 0.000000\n-2.922105 5.061234 0.000000\n-0.000000 -0.000000 3.829991\nNa Pt O\n2 1 6\ndirect\n0.333333 0.666666 -0.000000 Na\n0.666666 0.333333 -0.000000 Na\n0.000000 0.000000 0.000000 Pt\n0.272935 -0.000000 0.285701 O\n0.727065 -0.000000 0.714299 O\n-0.000000 0.272935 0.285701 O\n-0.000001 0.727065 0.714299 O\n0.727064 0.727065 0.285701 O\n0.272935 0.272935 0.714299 O\n",
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"density": 4.940560836412625,
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"volume": 113.28697576995701,
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"formula_full": "Na2 Pt1 O6",
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"formula_anonymous": "AB2C6",
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},
{
"id": "jvasp-34700",
"created_at": "2022-09-04T14:38:12.174139Z",
"updated_at": "2022-09-04T14:38:12.174167Z",
"structure_string": "Na8 Pt4 O12\n1.0\n5.469389 -0.001368 -0.463668\n-2.793728 4.702054 -0.463668\n-0.021160 -0.037173 10.706085\nNa Pt O\n8 4 12\ndirect\n0.084707 0.915292 0.750000 Na\n0.159231 0.318739 -0.000085 Na\n0.915292 0.084707 0.250000 Na\n0.681260 0.840768 0.500085 Na\n0.840768 0.681260 0.000085 Na\n0.500000 -0.000000 -0.000000 Na\n0.318739 0.159232 0.499915 Na\n-0.000000 0.500000 0.500000 Na\n0.750530 0.249470 0.750000 Pt\n0.417463 0.582537 0.750000 Pt\n0.249469 0.750530 0.250000 Pt\n0.582536 0.417463 0.250000 Pt\n0.048979 0.240178 0.645026 O\n0.311870 0.480275 0.355023 O\n0.590787 0.119525 0.355142 O\n0.480275 0.311870 0.855023 O\n0.688130 0.519724 0.644977 O\n0.119525 0.590787 0.855142 O\n0.880474 0.409213 0.144858 O\n0.759822 0.951020 0.854975 O\n0.409213 0.880474 0.644858 O\n0.951020 0.759822 0.354974 O\n0.240177 0.048979 0.145025 O\n0.519724 0.688129 0.144977 O\n",
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"formula_full": "Na8 Pt4 O12",
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{
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"created_at": "2022-09-04T14:37:44.458743Z",
"updated_at": "2022-09-04T14:37:44.458755Z",
"structure_string": "Na8 Pt4 O12\n1.0\n5.436618 0.065244 -1.014294\n-2.094061 5.017544 -1.014400\n-0.024809 -0.037936 9.999800\nNa Pt O\n8 4 12\ndirect\n0.619424 0.869419 0.738838 Na\n0.295510 0.545507 0.091015 Na\n0.380576 0.130579 0.261161 Na\n0.869421 0.619421 0.238839 Na\n0.545505 0.295508 0.591015 Na\n0.704489 0.454491 0.908985 Na\n0.130579 0.380577 0.761161 Na\n0.454494 0.704489 0.408985 Na\n0.791414 0.041415 0.082831 Pt\n0.208586 0.958582 0.917169 Pt\n0.958582 0.208582 0.417170 Pt\n0.041417 0.791416 0.582830 Pt\n0.914592 0.664587 0.750000 O\n0.085407 0.335411 0.250000 O\n0.532674 0.243136 0.071175 O\n0.038494 0.828036 0.071172 O\n0.756865 0.467325 0.428828 O\n0.961505 0.171961 0.928828 O\n0.171963 0.961502 0.428825 O\n0.467326 0.756862 0.928826 O\n0.335415 0.085411 0.750000 O\n0.243134 0.532673 0.571172 O\n0.828037 0.038495 0.571175 O\n0.664584 0.914587 0.250000 O\n",
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},
{
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"created_at": "2022-09-04T14:38:41.914254Z",
"updated_at": "2022-09-04T14:38:41.914277Z",
"structure_string": "Na1 Pt1 O1\n1.0\n4.194506 0.000000 0.000000\n0.000000 4.194506 0.000000\n-0.000000 0.000000 16.042169\nNa Pt O\n1 1 1\ndirect\n0.000000 0.000000 0.275601 Na\n0.000000 0.000000 0.605774 Pt\n0.000000 0.000000 0.152064 O\n",
"nsites": 3,
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"elements": [
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"density_atomic": 0.010629100847026248,
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"formula_full": "Na1 Pt1 O1",
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"spacegroup": 99
},
{
"id": "jvasp-110328",
"created_at": "2022-09-04T14:38:38.151123Z",
"updated_at": "2022-09-04T14:38:38.151155Z",
"structure_string": "Na2 Pt1 O6\n1.0\n5.851123 0.138928 0.966103\n-2.699596 5.192988 0.966103\n0.064492 0.109111 3.755535\nNa Pt O\n2 1 6\ndirect\n0.646516 0.353484 0.499999 Na\n0.353483 0.646517 0.499999 Na\n-0.000000 -0.000000 0.499999 Pt\n0.912627 0.222750 0.809015 O\n0.222749 0.912628 0.809015 O\n0.701036 0.701038 0.781279 O\n0.087372 0.777250 0.190982 O\n0.777250 0.087372 0.190982 O\n0.298962 0.298963 0.218718 O\n",
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"volume": 114.30348438183086,
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"formula_full": "Na2 Pt1 O6",
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"spacegroup": 12
},
{
"id": "jvasp-107309",
"created_at": "2022-09-04T14:37:00.982049Z",
"updated_at": "2022-09-04T14:37:00.982080Z",
"structure_string": "Na2 Pt1 O3\n1.0\n4.057778 -0.014403 -3.827393\n-0.405341 2.999780 -4.685267\n0.022309 0.014403 5.577993\nNa Pt O\n2 1 3\ndirect\n0.672448 0.672448 0.000001 Na\n0.327553 0.327553 0.000001 Na\n0.000000 0.000000 0.000000 Pt\n0.500000 0.000000 0.500000 O\n0.135350 0.635350 0.499999 O\n0.864651 0.364650 0.500001 O\n",
"nsites": 6,
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"volume": 68.41904124986453,
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"formula_full": "Na2 Pt1 O3",
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"spacegroup": 71
},
{
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"created_at": "2022-09-04T14:35:42.221238Z",
"updated_at": "2022-09-04T14:35:42.221273Z",
"structure_string": "Na4 Pt1 O4\n1.0\n0.000043 -2.317154 -2.317007\n2.226764 4.624866 -2.307273\n6.708389 -0.004226 2.320541\nNa Pt O\n4 1 4\ndirect\n0.996167 0.018899 0.976461 Na\n0.827680 0.463074 0.195490 Na\n0.399577 0.179078 0.622810 Na\n0.567992 0.734886 0.403770 Na\n0.197853 0.598978 0.799628 Pt\n0.396785 0.725687 0.071004 O\n0.998913 0.472274 0.528257 O\n0.768478 0.835028 0.704707 O\n0.627248 0.362936 0.894558 O\n",
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"elements": [
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"volume": 119.7468636691074,
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"formula_full": "Na4 Pt1 O4",
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"formula_anonymous": "AB4C4",
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"spacegroup": 12
}
]
}