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{
"id": "jvasp-90521",
"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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{
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"structure_string": "Na1 Pt1 O1\n1.0\n6.604132 0.000000 0.000000\n0.000000 6.604132 0.000000\n0.000000 0.000000 4.762595\nNa Pt O\n1 1 1\ndirect\n0.302617 0.002190 0.000000 Na\n-0.033312 -0.073324 0.000000 Pt\n0.002722 0.289352 0.000000 O\n",
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{
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"structure_string": "Na1 Pt1 O2\n1.0\n3.236987 -1.535919 -0.279455\n3.236987 1.535919 -0.279455\n-2.880758 0.000000 5.472862\nNa Pt O\n1 1 2\ndirect\n0.500001 0.500001 0.500001 Na\n0.000000 0.000000 0.000000 Pt\n0.336146 0.336146 0.760234 O\n0.663856 0.663856 0.239768 O\n",
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{
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"updated_at": "2022-09-04T14:35:52.040136Z",
"structure_string": "Na6 Th2 P6 O22\n1.0\n6.514513 0.296474 -0.374004\n-2.585618 7.751836 -2.950136\n-0.001155 0.037701 8.874105\nNa Th P O\n6 2 6 22\ndirect\n0.406508 0.181805 0.564441 Na\n0.360811 0.992663 0.131169 Na\n0.639187 0.007337 0.868832 Na\n0.593490 0.818195 0.435559 Na\n0.305614 0.586751 0.040944 Na\n0.694384 0.413249 0.959056 Na\n0.926080 0.665459 0.711969 Th\n0.073918 0.334541 0.288032 Th\n0.147844 0.137641 0.869089 P\n0.100033 0.780947 0.363830 P\n0.852154 0.862359 0.130911 P\n0.595236 0.384508 0.293033 P\n0.899965 0.219053 0.636170 P\n0.404763 0.615492 0.706967 P\n0.908707 0.717633 0.997260 O\n0.501241 0.507140 0.239101 O\n0.889155 0.821729 0.296219 O\n0.498758 0.492860 0.760899 O\n0.709265 0.279196 0.162235 O\n0.699774 0.095262 0.646561 O\n0.110843 0.178271 0.703781 O\n0.911592 0.402319 0.746060 O\n0.406851 0.262509 0.332016 O\n0.934944 0.200442 0.463393 O\n0.988011 0.966253 0.839666 O\n0.620914 0.859477 0.109086 O\n0.011987 0.033747 0.160335 O\n0.300224 0.904738 0.353439 O\n0.379085 0.140523 0.890914 O\n0.091291 0.282367 0.002740 O\n0.088406 0.597681 0.253940 O\n0.290733 0.720804 0.837765 O\n0.593147 0.737491 0.667985 O\n0.226551 0.526181 0.556358 O\n0.065055 0.799558 0.536607 O\n0.773448 0.473819 0.443643 O\n",
"nsites": 36,
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"elements": [
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{
"id": "jvasp-88283",
"created_at": "2022-09-04T14:36:04.100034Z",
"updated_at": "2022-09-04T14:36:04.100064Z",
"structure_string": "Na8 Zn4 P8 O28\n1.0\n7.771738 0.000000 0.000000\n0.000000 7.771738 0.000000\n0.000000 0.000000 10.264515\nNa Zn P O\n8 4 8 28\ndirect\n0.356750 0.356750 0.500000 Na\n0.806126 0.193875 0.500000 Na\n0.643251 0.643251 0.500000 Na\n0.143250 0.856750 0.000000 Na\n0.193875 0.806126 0.500000 Na\n0.856750 0.143250 0.000000 Na\n0.693875 0.693875 0.000000 Na\n0.306126 0.306126 0.000000 Na\n0.500000 0.000000 0.750000 Zn\n0.500000 0.000000 0.250000 Zn\n0.000000 0.500000 0.250000 Zn\n0.000000 0.500000 0.750000 Zn\n0.638731 0.361269 0.791122 P\n0.361269 0.638731 0.791122 P\n0.361269 0.638731 0.208878 P\n0.861269 0.861269 0.291122 P\n0.138731 0.138731 0.708877 P\n0.138731 0.138731 0.291122 P\n0.638731 0.361269 0.208878 P\n0.861269 0.861269 0.708877 P\n0.136318 0.136318 0.143971 O\n0.636319 0.363682 0.356028 O\n0.636319 0.363682 0.643971 O\n0.363682 0.636319 0.643971 O\n0.080863 0.307750 0.355858 O\n0.500000 0.500000 0.848670 O\n0.919137 0.692250 0.355858 O\n0.307750 0.080863 0.644142 O\n0.807750 0.419137 0.855858 O\n0.192250 0.580863 0.855858 O\n0.419137 0.807750 0.144142 O\n0.580863 0.192250 0.144142 O\n0.692250 0.919137 0.644142 O\n0.919137 0.692250 0.644142 O\n0.080863 0.307750 0.644142 O\n0.500000 0.500000 0.151330 O\n0.692250 0.919137 0.355858 O\n0.807750 0.419137 0.144142 O\n0.580863 0.192250 0.855858 O\n0.419137 0.807750 0.855858 O\n0.307750 0.080863 0.355858 O\n0.863682 0.863682 0.856028 O\n0.136318 0.136318 0.856028 O\n0.863682 0.863682 0.143971 O\n0.363682 0.636319 0.356028 O\n0.000000 0.000000 0.348670 O\n0.192250 0.580863 0.144142 O\n0.000000 0.000000 0.651330 O\n",
"nsites": 48,
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"elements": [
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"volume": 619.9757980076134,
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"formula_full": "Na8 Zn4 P8 O28",
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"formula_anonymous": "AB2C2D7",
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},
{
"id": "jvasp-115256",
"created_at": "2022-09-04T14:38:45.025122Z",
"updated_at": "2022-09-04T14:38:45.025148Z",
"structure_string": "Rb1 Na1 O1\n1.0\n4.649540 -0.000000 0.000000\n-2.324770 4.026620 -0.000000\n0.000000 -0.000000 4.676704\nRb Na O\n1 1 1\ndirect\n0.666667 0.333334 0.000000 Rb\n0.000000 0.000000 0.000000 Na\n0.333334 0.666667 0.000000 O\n",
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"formula_full": "Rb1 Na1 O1",
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"spacegroup": 187
},
{
"id": "jvasp-115255",
"created_at": "2022-09-04T14:38:45.474791Z",
"updated_at": "2022-09-04T14:38:45.474818Z",
"structure_string": "Rb1 Na1 O1\n1.0\n4.098007 1.443000 0.000000\n2.178384 6.498847 0.000000\n0.000000 0.000000 4.836615\nRb Na O\n1 1 1\ndirect\n-0.077811 0.454865 0.000000 Rb\n-0.078782 -0.045098 0.000000 Na\n0.421157 -0.045107 0.000000 O\n",
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},
{
"id": "jvasp-115257",
"created_at": "2022-09-04T14:38:43.847595Z",
"updated_at": "2022-09-04T14:38:43.847619Z",
"structure_string": "Rb1 Na1 O1\n1.0\n5.759297 0.000000 0.000000\n0.000000 5.759297 0.000000\n0.000000 0.000000 8.485593\nRb Na O\n1 1 1\ndirect\n0.000000 -0.000000 0.053714 Rb\n0.000000 -0.000000 0.546612 Na\n0.000000 -0.000000 0.784297 O\n",
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},
{
"id": "jvasp-38302",
"created_at": "2022-09-04T14:35:54.156330Z",
"updated_at": "2022-09-04T14:35:54.156361Z",
"structure_string": "Rb1 Na1 O3\n1.0\n4.449675 0.000000 -0.000000\n0.000000 4.449675 -0.000000\n-0.000000 0.000000 4.449675\nRb Na O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500001 0.500001 0.500001 Na\n0.500001 0.500001 0.000000 O\n0.500001 0.000000 0.500001 O\n0.000000 0.500001 0.500001 O\n",
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{
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"structure_string": "Rb2 Na2 O2\n1.0\n4.062790 0.000000 -0.000000\n0.000000 4.062790 0.000000\n-0.000000 0.000000 6.555480\nRb Na O\n2 2 2\ndirect\n0.000000 0.500000 0.641930 Rb\n0.500000 0.000000 0.358070 Rb\n0.500000 0.500000 0.000000 Na\n0.000000 0.000000 0.000000 Na\n0.500000 0.000000 0.804749 O\n0.000000 0.500000 0.195251 O\n",
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},
{
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"updated_at": "2022-09-04T14:37:15.167727Z",
"structure_string": "Rb3 Na1 Ru2 O8\n1.0\n3.027455 -5.243706 -0.000000\n3.027455 5.243706 0.000000\n0.000000 0.000000 7.938523\nRb Na Ru O\n3 1 2 8\ndirect\n0.666666 0.333332 0.649827 Rb\n0.000000 0.000000 0.000000 Rb\n0.333332 0.666666 0.350173 Rb\n0.000000 0.000000 0.500000 Na\n0.666666 0.333332 0.214967 Ru\n0.333332 0.666666 0.785033 Ru\n0.176096 0.823902 0.693905 O\n0.647804 0.823902 0.693905 O\n0.176097 0.352194 0.693905 O\n0.823902 0.176096 0.306095 O\n0.823902 0.647804 0.306095 O\n0.352194 0.176097 0.306095 O\n0.666666 0.333332 -0.006936 O\n0.333332 0.666666 0.006936 O\n",
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{
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"structure_string": "Rb4 Na4 Si8 O20\n1.0\n0.000000 4.910690 -0.001867\n13.708933 0.000000 0.000000\n0.000000 -0.134109 -7.706477\nRb Na Si O\n4 4 8 20\ndirect\n0.278308 0.802795 0.217104 Rb\n0.278308 0.697205 0.717104 Rb\n0.721692 0.302795 0.282896 Rb\n0.721692 0.197205 0.782896 Rb\n0.227620 0.092627 0.033032 Na\n0.227620 0.407373 0.533033 Na\n0.772380 0.907373 0.966968 Na\n0.772380 0.592627 0.466968 Na\n0.796466 0.868990 0.518705 Si\n0.301187 0.954016 0.714395 Si\n0.698813 0.454016 0.785606 Si\n0.203534 0.368990 0.981296 Si\n0.203534 0.131010 0.481296 Si\n0.796466 0.631010 0.018704 Si\n0.301187 0.545983 0.214395 Si\n0.698813 0.045984 0.285606 Si\n0.251936 0.071799 0.669927 O\n0.244292 0.931317 0.912978 O\n0.729305 0.756690 0.499334 O\n0.755708 0.431317 0.587023 O\n0.270695 0.256690 0.000667 O\n0.122084 0.611570 0.072072 O\n0.251936 0.428201 0.169927 O\n0.375419 0.429820 0.831432 O\n0.122084 0.888430 0.572072 O\n0.755708 0.068683 0.087023 O\n0.748064 0.928201 0.330073 O\n0.748064 0.571798 0.830073 O\n0.375420 0.070180 0.331431 O\n0.244292 0.568683 0.412977 O\n0.877916 0.111570 0.427929 O\n0.624580 0.570180 0.168569 O\n0.877916 0.388430 0.927929 O\n0.624580 0.929820 0.668569 O\n0.729305 0.743309 -0.000666 O\n0.270695 0.243310 0.500667 O\n",
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],
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"formula_full": "Rb4 Na4 Si8 O20",
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}
]
}