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{
"id": "jvasp-50400",
"created_at": "2022-09-04T14:38:08.231500Z",
"updated_at": "2022-09-04T14:38:08.231518Z",
"structure_string": "Rb4 H4 O4\n1.0\n4.005124 -0.000000 0.000000\n-0.000000 6.484173 0.000000\n0.000000 0.000000 7.930076\nRb H O\n4 4 4\ndirect\n0.250000 0.992186 0.808226 Rb\n0.749999 0.507813 0.308225 Rb\n0.250000 0.492186 0.691775 Rb\n0.749999 0.007814 0.191775 Rb\n0.749999 0.066208 0.544403 H\n0.250000 0.433792 0.044402 H\n0.749999 0.566208 0.955598 H\n0.250000 0.933792 0.455598 H\n0.250000 0.790567 0.417556 O\n0.749999 0.709432 0.917556 O\n0.250000 0.290568 0.082445 O\n0.749999 0.209432 0.582445 O\n",
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{
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"structure_string": "Rb2 H6 O4\n1.0\n4.224777 0.000000 0.000000\n-2.112388 5.518776 0.000000\n0.000000 0.000000 5.929076\nRb H O\n2 6 4\ndirect\n0.845547 0.691093 0.268017 Rb\n0.154453 0.308908 0.768017 Rb\n0.489788 0.979575 0.020172 H\n0.510213 0.020426 0.520172 H\n0.303756 0.217272 0.298846 H\n0.696245 0.782729 0.798846 H\n0.086484 0.782729 0.798846 H\n0.913517 0.217272 0.298846 H\n0.839442 0.678883 0.758955 O\n0.468251 0.936502 0.859267 O\n0.160559 0.321118 0.258954 O\n0.531749 0.063499 0.359266 O\n",
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"spacegroup": 36
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{
"id": "jvasp-118469",
"created_at": "2022-09-04T14:38:33.790400Z",
"updated_at": "2022-09-04T14:38:33.790430Z",
"structure_string": "Rb2 H2 O2\n1.0\n4.130908 0.000000 -0.002421\n0.000000 4.176241 0.000000\n-2.060824 0.000000 5.422229\nRb H O\n2 2 2\ndirect\n0.139510 0.761540 0.278805 Rb\n0.860491 0.261539 0.721195 Rb\n0.467020 0.898045 0.934128 H\n0.532982 0.398045 0.065871 H\n0.399763 0.738453 0.800099 O\n0.600239 0.238453 0.199901 O\n",
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"volume": 93.5216547096566,
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"formula_full": "Rb2 H2 O2",
"formula_reduced": "RbHO",
"formula_anonymous": "ABC",
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"spacegroup": 36
},
{
"id": "jvasp-118467",
"created_at": "2022-09-04T14:38:49.847838Z",
"updated_at": "2022-09-04T14:38:49.847859Z",
"structure_string": "Rb2 H2 O2\n1.0\n4.144136 0.000000 -0.031674\n0.000000 4.172710 0.000000\n-1.408270 0.000000 5.800585\nRb H O\n2 2 2\ndirect\n0.826181 0.750000 0.211569 Rb\n0.173821 0.250000 0.788433 Rb\n0.521045 0.750000 0.579850 H\n0.478957 0.250000 0.420152 H\n0.675805 0.750000 0.731610 O\n0.324197 0.250000 0.268392 O\n",
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],
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"density_atomic": 0.05992856466627645,
"volume": 100.11920080869841,
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"formula_full": "Rb2 H2 O2",
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"spacegroup": 11
},
{
"id": "jvasp-118464",
"created_at": "2022-09-04T14:38:52.942679Z",
"updated_at": "2022-09-04T14:38:52.942703Z",
"structure_string": "Rb1 H1 O1\n1.0\n3.849218 -1.704284 0.000000\n-1.608409 5.292010 0.000000\n0.000000 0.000000 4.468978\nRb H O\n1 1 1\ndirect\n0.018402 0.421683 0.000000 Rb\n-0.097619 -0.135134 0.000000 H\n0.207047 0.015293 0.000000 O\n",
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"elements": [
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"volume": 78.78323072484592,
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"formula_full": "Rb1 H1 O1",
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"spacegroup": 38
},
{
"id": "jvasp-51007",
"created_at": "2022-09-04T14:37:13.950989Z",
"updated_at": "2022-09-04T14:37:13.950997Z",
"structure_string": "Rb2 H2 O2\n1.0\n2.069959 0.000000 5.426715\n0.000000 4.186996 0.000000\n-2.069959 0.000000 5.426715\nRb H O\n2 2 2\ndirect\n0.360587 0.260293 0.360587 Rb\n0.639412 0.760294 0.639412 Rb\n0.032431 0.398042 0.032431 H\n0.967568 0.898042 0.967568 H\n0.098988 0.237058 0.098988 O\n0.901011 0.737058 0.901011 O\n",
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"volume": 94.06570157831173,
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"formula_full": "Rb2 H2 O2",
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},
{
"id": "jvasp-38237",
"created_at": "2022-09-04T14:37:48.271533Z",
"updated_at": "2022-09-04T14:37:48.271557Z",
"structure_string": "Rb3 Ho1\n1.0\n0.000000 5.005178 5.005178\n5.005178 0.000000 5.005178\n5.005178 5.005178 0.000000\nRb Ho\n3 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Rb\n0.250001 0.250001 0.250001 Rb\n0.750000 0.750000 0.750000 Ho\n",
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"elements": [
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"Ho"
],
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"volume": 250.7775046281818,
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"formula_full": "Rb3 Ho1",
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"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-29908",
"created_at": "2022-09-04T14:36:49.299623Z",
"updated_at": "2022-09-04T14:36:49.299646Z",
"structure_string": "Zr1 P2 H2 O6\n1.0\n5.461459 -0.000009 -0.000029\n-2.730737 4.729764 0.000084\n-0.000018 0.000066 5.390100\nZr P H O\n1 2 2 6\ndirect\n0.000000 0.000000 0.000000 Zr\n0.666669 0.333347 0.695685 P\n0.333330 0.666652 0.304314 P\n0.666664 0.333353 0.435592 H\n0.333336 0.666647 0.564407 H\n0.359966 0.141533 0.779696 O\n0.781572 0.640053 0.779682 O\n0.858479 0.218448 0.779678 O\n0.640033 0.858467 0.220303 O\n0.218427 0.359947 0.220317 O\n0.141521 0.781552 0.220321 O\n",
"nsites": 11,
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"elements": [
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],
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"density_atomic": 0.07900382654977711,
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"volume_molar": 7.622593769183689,
"formula_full": "Zr1 P2 H2 O6",
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},
{
"id": "jvasp-12585",
"created_at": "2022-09-04T14:38:09.632134Z",
"updated_at": "2022-09-04T14:38:09.632160Z",
"structure_string": "Zr1 P2 H2 O6\n1.0\n2.751580 -4.765877 0.000000\n2.751580 4.765877 -0.000000\n-0.000000 -0.000000 5.333934\nZr P H O\n1 2 2 6\ndirect\n0.000000 0.000000 0.000000 Zr\n0.333333 0.666667 0.307288 P\n0.666667 0.333333 0.692711 P\n0.333333 0.666667 0.570402 H\n0.666667 0.333333 0.429597 H\n0.179689 0.820311 0.222638 O\n0.359379 0.179689 0.777362 O\n0.820311 0.640621 0.777362 O\n0.820311 0.179689 0.777362 O\n0.640621 0.820311 0.222638 O\n0.179689 0.359379 0.222638 O\n",
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},
{
"id": "jvasp-30076",
"created_at": "2022-09-04T14:38:03.371784Z",
"updated_at": "2022-09-04T14:38:03.371815Z",
"structure_string": "Zn2 P4 H8 O8\n1.0\n6.476849 0.000000 0.000000\n0.000000 5.409727 0.000000\n0.000000 0.000000 7.301069\nZn P H O\n2 4 8 8\ndirect\n0.500000 0.500000 0.000000 Zn\n0.000000 0.500000 0.000000 Zn\n0.250000 0.000000 0.853165 P\n0.750000 0.000000 0.146835 P\n0.250000 0.500000 0.380683 P\n0.750000 0.500000 0.619317 P\n0.250000 0.707143 0.499589 H\n0.750000 0.707143 0.500411 H\n0.750000 0.292857 0.500411 H\n0.250000 0.292857 0.499589 H\n0.074983 0.000000 0.736968 H\n0.574983 0.000000 0.263032 H\n0.425017 0.000000 0.736968 H\n0.925017 0.000000 0.263032 H\n0.047881 0.500000 0.273496 O\n0.250000 0.761762 0.966504 O\n0.750000 0.761762 0.033496 O\n0.750000 0.238238 0.033496 O\n0.250000 0.238238 0.966504 O\n0.452119 0.500000 0.273496 O\n0.547881 0.500000 0.726504 O\n0.952119 0.500000 0.726504 O\n",
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{
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"created_at": "2022-09-04T14:37:03.240383Z",
"updated_at": "2022-09-04T14:37:03.240399Z",
"structure_string": "Zn4 P2 H2 O10\n1.0\n5.553683 0.029463 0.041485\n0.294231 5.733682 0.009684\n1.445450 1.324817 6.241800\nZn P H O\n4 2 2 10\ndirect\n0.385315 0.248683 0.508577 Zn\n0.614685 0.751317 0.491421 Zn\n0.026099 0.737373 0.811892 Zn\n0.973901 0.262627 0.188107 Zn\n0.832397 0.249955 0.726518 P\n0.167603 0.750045 0.273480 P\n0.434678 0.905993 0.825347 H\n0.565322 0.094007 0.174652 H\n0.027849 0.248097 0.513298 O\n0.972151 0.751903 0.486701 O\n0.405543 0.619715 0.329196 O\n0.594457 0.380285 0.670802 O\n0.771083 0.992762 0.851996 O\n0.939655 0.387698 0.865980 O\n0.228917 0.007238 0.148003 O\n0.360311 0.889121 0.705893 O\n0.060345 0.612302 0.134019 O\n0.639689 0.110879 0.294105 O\n",
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},
{
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"formula_full": "V2 P4 H12 O12",
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}
]
}