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{
"id": "jvasp-39249",
"created_at": "2022-09-04T14:37:58.666408Z",
"updated_at": "2022-09-04T14:37:58.666419Z",
"structure_string": "Lu2 O6\n1.0\n2.270067 -3.931872 -0.000000\n2.270067 3.931872 0.000000\n-0.000000 -0.000000 4.531764\nLu O\n2 6\ndirect\n0.333334 0.666668 0.250000 Lu\n0.666668 0.333334 0.749999 Lu\n0.177360 0.822641 0.749999 O\n0.645282 0.822642 0.749999 O\n0.177360 0.354719 0.749999 O\n0.822641 0.177360 0.250000 O\n0.354719 0.177360 0.250000 O\n0.822642 0.645282 0.250000 O\n",
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{
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"structure_string": "Li3 Mn3 B3 O9\n1.0\n4.095203 -7.093099 -0.000000\n4.095203 7.093099 -0.000000\n-0.000000 -0.000000 3.133130\nLi Mn B O\n3 3 3 9\ndirect\n0.285142 0.299776 0.500000 Li\n0.014632 0.714858 0.500000 Li\n0.700224 0.985367 0.500000 Li\n0.990181 0.360409 0.000000 Mn\n0.370228 0.009819 0.000000 Mn\n0.639590 0.629771 0.000000 Mn\n0.000000 0.000000 0.000000 B\n0.666667 0.333333 0.500000 B\n0.333333 0.666667 0.500000 B\n0.748593 0.528501 0.500000 O\n0.424042 0.861828 0.500000 O\n0.138172 0.562214 0.500000 O\n0.437785 0.575957 0.500000 O\n0.080176 0.885038 0.000000 O\n0.114961 0.195137 0.000000 O\n0.804862 0.919823 0.000000 O\n0.779908 0.251406 0.500000 O\n0.471498 0.220091 0.500000 O\n",
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"formula_full": "Li3 Mn3 B3 O9",
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"spacegroup": 174
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{
"id": "jvasp-29805",
"created_at": "2022-09-04T14:37:30.398333Z",
"updated_at": "2022-09-04T14:37:30.398362Z",
"structure_string": "Cd1 H2 O2\n1.0\n3.550123 0.000149 0.008300\n-1.774933 3.074274 0.000000\n-0.017001 -0.009815 4.632534\nCd H O\n1 2 2\ndirect\n0.000000 0.063151 -0.000000 Cd\n0.666149 0.396436 0.547457 H\n0.333851 0.730287 0.452542 H\n0.666304 0.396286 0.758709 O\n0.333696 0.729981 0.241290 O\n",
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"volume": 50.56151511690824,
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"formula_full": "Cd1 H2 O2",
"formula_reduced": "Cd(HO)2",
"formula_anonymous": "AB2C2",
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"spacegroup": 164
},
{
"id": "jvasp-29803",
"created_at": "2022-09-04T14:37:28.504882Z",
"updated_at": "2022-09-04T14:37:28.504922Z",
"structure_string": "Cd1 H2 O2\n1.0\n3.550723 -0.000001 -0.000007\n-1.775362 3.075027 -0.000003\n-0.000011 -0.000010 4.631201\nCd H O\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Cd\n0.666662 0.333331 0.547371 H\n0.333338 0.666670 0.452629 H\n0.666665 0.333334 0.758690 O\n0.333336 0.666667 0.241309 O\n",
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"volume": 50.56607988658891,
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"spacegroup": 164
},
{
"id": "jvasp-27661",
"created_at": "2022-09-04T14:37:20.166148Z",
"updated_at": "2022-09-04T14:37:20.166158Z",
"structure_string": "Zn4 Fe6 O16\n1.0\n2.848062 -4.932989 -0.000000\n2.848062 4.932989 0.000000\n-0.000000 -0.000000 9.358417\nZn Fe O\n4 6 16\ndirect\n0.666667 0.333333 0.971143 Zn\n0.333333 0.666667 0.471143 Zn\n0.666667 0.333333 0.571603 Zn\n0.333333 0.666667 0.071603 Zn\n0.162113 0.324226 0.754732 Fe\n0.837887 0.162112 0.254731 Fe\n0.324226 0.162113 0.254731 Fe\n0.837886 0.675773 0.254731 Fe\n0.675773 0.837886 0.754732 Fe\n0.162112 0.837887 0.754732 Fe\n0.482378 0.517621 0.639352 O\n0.964756 0.482378 0.139351 O\n0.333333 0.666667 0.859443 O\n0.000000 0.000000 0.147216 O\n0.000000 0.000000 0.647216 O\n0.517621 0.482378 0.139351 O\n0.035244 0.517621 0.639352 O\n0.157229 0.842770 0.358282 O\n0.157230 0.314460 0.358282 O\n0.314460 0.157230 0.858282 O\n0.842770 0.157229 0.858282 O\n0.482378 0.964756 0.639352 O\n0.685539 0.842770 0.358282 O\n0.842770 0.685539 0.858282 O\n0.517621 0.035244 0.139351 O\n0.666667 0.333333 0.359443 O\n",
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"volume": 262.96138285852714,
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"formula_full": "Zn4 Fe6 O16",
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"spacegroup": 186
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{
"id": "jvasp-58596",
"created_at": "2022-09-04T14:37:05.576208Z",
"updated_at": "2022-09-04T14:37:05.576240Z",
"structure_string": "Zn2 Ni4 O8\n1.0\n5.851872 -0.017216 -0.017187\n2.911026 5.076477 -0.017187\n2.906932 1.678319 4.747001\nZn Ni O\n2 4 8\ndirect\n0.125000 0.625001 0.624999 Zn\n0.625000 0.125000 0.624999 Zn\n0.996733 0.996733 0.003266 Ni\n0.253268 0.253268 0.246732 Ni\n0.625000 0.625000 0.124999 Ni\n0.625000 0.625000 0.624999 Ni\n0.393715 0.393715 0.365073 O\n0.405998 0.857267 0.368367 O\n0.393715 0.393715 0.847497 O\n0.857267 0.405998 0.368367 O\n0.392734 0.844003 0.881631 O\n0.844002 0.392734 0.881631 O\n0.856286 0.856285 0.402501 O\n0.856285 0.856285 0.884926 O\n",
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"density": 5.788446694666971,
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"volume": 141.59587319223579,
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"formula_full": "Zn2 Ni4 O8",
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"formula_anonymous": "AB2C4",
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{
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"created_at": "2022-09-04T14:38:43.180505Z",
"updated_at": "2022-09-04T14:38:43.180538Z",
"structure_string": "Ti3 Be9\n1.0\n4.260929 0.002315 6.176037\n1.925459 3.801069 6.176037\n0.003765 0.002315 7.503261\nTi Be\n3 9\ndirect\n0.857454 0.857450 0.857452 Ti\n0.142548 0.142548 0.142548 Ti\n0.000000 0.000000 0.000000 Ti\n0.417783 0.921452 0.417782 Be\n0.417784 0.417780 0.921453 Be\n0.921455 0.417780 0.417782 Be\n0.582220 0.078545 0.582218 Be\n0.582219 0.582218 0.078547 Be\n0.078548 0.582218 0.582218 Be\n0.665933 0.665929 0.665931 Be\n0.334070 0.334069 0.334069 Be\n0.500001 0.499999 0.500000 Be\n",
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"volume": 121.36828558364762,
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"formula_full": "Ti3 Be9",
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{
"id": "jvasp-44767",
"created_at": "2022-09-04T14:38:07.740561Z",
"updated_at": "2022-09-04T14:38:07.740588Z",
"structure_string": "Li2 V2 Fe2 O8\n1.0\n5.839708 -0.239325 -0.090237\n0.207213 5.840936 0.090237\n-3.007133 -2.818431 4.145023\nLi V Fe O\n2 2 2 8\ndirect\n0.000000 -0.000000 0.500000 Li\n-0.000000 0.500001 0.000000 Li\n0.376928 0.626928 0.750000 V\n0.623072 0.373072 0.250000 V\n0.000000 0.000000 0.000000 Fe\n0.500000 -0.000001 0.499999 Fe\n0.253576 0.255769 0.502193 O\n0.261916 0.752920 0.508997 O\n0.743923 0.752920 0.991002 O\n0.746424 0.248617 0.002193 O\n0.253575 0.751382 -0.002193 O\n0.256077 0.247080 0.008997 O\n0.738084 0.247080 0.491002 O\n0.746424 0.744231 0.497806 O\n",
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{
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"updated_at": "2022-09-04T14:36:22.266195Z",
"structure_string": "Y4 Ni4 B16\n1.0\n-3.775221 3.775221 4.258806\n3.775221 -3.775221 4.258806\n3.775221 3.775221 -4.258806\nY Ni B\n4 4 16\ndirect\n0.250000 0.750000 0.500000 Y\n0.204059 0.204059 0.000000 Y\n0.795941 0.795941 0.000000 Y\n0.750000 0.250000 0.500000 Y\n0.500000 0.728419 0.228418 Ni\n0.500000 0.271582 0.771581 Ni\n0.728419 0.500000 0.228418 Ni\n0.271582 0.500000 0.771581 Ni\n0.887635 0.887635 0.469475 B\n0.418160 0.418160 0.530525 B\n0.418160 0.887635 0.000000 B\n0.887635 0.418160 0.000000 B\n0.274965 0.111344 0.386309 B\n0.581841 0.581841 0.469475 B\n0.112365 0.112365 0.530525 B\n0.888656 0.725035 0.613691 B\n0.111344 0.274965 0.386309 B\n0.274965 0.888656 0.163621 B\n0.725035 0.111344 0.836379 B\n0.111344 0.725035 0.836379 B\n0.888656 0.274965 0.163621 B\n0.725035 0.888656 0.613691 B\n0.581841 0.112366 0.000000 B\n0.112366 0.581841 0.000000 B\n",
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{
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"created_at": "2022-09-04T14:37:19.843767Z",
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"structure_string": "Pd1 N2\n1.0\n2.475775 2.475775 0.000000\n2.475775 0.000000 -2.475775\n0.000000 2.475775 -2.475775\nPd N\n1 2\ndirect\n0.000000 0.000000 0.000000 Pd\n0.249999 0.249999 0.249999 N\n0.749998 0.749998 0.749998 N\n",
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{
"id": "jvasp-43300",
"created_at": "2022-09-04T14:36:14.909834Z",
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"structure_string": "Li2 Ti3 Fe1 O8\n1.0\n5.730276 -0.142466 -0.100739\n2.741758 5.033798 -0.100739\n2.741758 1.582956 4.779490\nLi Ti Fe O\n2 3 1 8\ndirect\n0.120506 0.120505 0.120505 Li\n0.879496 0.879495 0.879494 Li\n-0.000000 0.500001 0.500000 Ti\n0.500001 0.000000 0.500000 Ti\n0.500001 0.500000 -0.000000 Ti\n0.500001 0.500000 0.500000 Fe\n0.259037 0.259037 0.259037 O\n0.260101 0.260101 0.717150 O\n0.260101 0.717151 0.260101 O\n0.717151 0.260101 0.260101 O\n0.282850 0.739900 0.739899 O\n0.739900 0.282850 0.739899 O\n0.739900 0.739899 0.282849 O\n0.740964 0.740964 0.740963 O\n",
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"formula_full": "Li2 Ti3 Fe1 O8",
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{
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"created_at": "2022-09-04T14:36:48.499924Z",
"updated_at": "2022-09-04T14:36:48.499939Z",
"structure_string": "Ni1 O2\n1.0\n2.635634 -0.043881 3.867599\n1.160162 2.366963 3.867599\n-0.071699 -0.043881 4.679716\nNi O\n1 2\ndirect\n0.500001 0.499999 0.500002 Ni\n0.761827 0.761826 0.761830 O\n0.238173 0.238171 0.238173 O\n",
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}
]
}