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{
"id": "jvasp-17527",
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"structure_string": "Mn1 Co2 Ge1\n1.0\n3.509453 -0.000000 2.026184\n1.169818 3.308745 2.026184\n-0.000000 -0.000000 4.052368\nMn Co Ge\n1 2 1\ndirect\n0.500000 0.499999 0.500000 Mn\n0.750000 0.749999 0.749999 Co\n0.250000 0.250000 0.250000 Co\n0.000000 0.000000 0.000000 Ge\n",
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{
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{
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{
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"updated_at": "2022-09-04T14:36:34.214965Z",
"structure_string": "Al1 Fe3\n1.0\n3.509389 -0.000000 2.026147\n1.169797 3.308684 2.026147\n-0.000000 -0.000000 4.052293\nAl Fe\n1 3\ndirect\n0.000000 0.000000 0.000000 Al\n0.500001 0.499999 0.500000 Fe\n0.250000 0.250000 0.250000 Fe\n0.750001 0.749999 0.750000 Fe\n",
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{
"id": "jvasp-119144",
"created_at": "2022-09-04T14:38:35.495055Z",
"updated_at": "2022-09-04T14:38:35.495066Z",
"structure_string": "Sr2 Ca2 Ti4 O12\n1.0\n5.495092 0.000000 0.000000\n0.000000 5.522604 0.000000\n-0.000000 -0.000000 7.752269\nSr Ca Ti O\n2 2 4 12\ndirect\n0.252033 0.984309 0.500000 Sr\n0.747967 0.484310 0.500000 Sr\n0.244287 0.038409 -0.000000 Ca\n0.755713 0.538409 -0.000000 Ca\n0.253904 0.510445 0.755117 Ti\n0.746096 0.010446 0.244883 Ti\n0.253904 0.510445 0.244883 Ti\n0.746096 0.010446 0.755117 Ti\n0.679331 0.976887 -0.000000 O\n0.320669 0.476887 -0.000000 O\n0.968913 0.274443 0.789074 O\n0.031087 0.774443 0.210926 O\n0.528425 0.715742 0.272881 O\n0.968913 0.274443 0.210926 O\n0.528425 0.715742 0.727119 O\n0.471574 0.215742 0.272881 O\n0.202147 0.499128 0.500000 O\n0.031087 0.774443 0.789074 O\n0.471574 0.215742 0.727119 O\n0.797852 -0.000871 0.500000 O\n",
"nsites": 20,
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{
"id": "jvasp-8569",
"created_at": "2022-09-04T14:37:04.642428Z",
"updated_at": "2022-09-04T14:37:04.642436Z",
"structure_string": "Ga1 Bi1 O3\n1.0\n3.888867 0.000000 0.000000\n0.000000 3.888867 0.000000\n-0.000000 0.000000 3.888867\nGa Bi O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Ga\n0.000000 0.000000 0.000000 Bi\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n0.000000 0.500000 0.500000 O\n",
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{
"id": "jvasp-44457",
"created_at": "2022-09-04T14:38:10.961258Z",
"updated_at": "2022-09-04T14:38:10.961292Z",
"structure_string": "Na6 Mn2 Si2 C2 O14\n1.0\n0.000000 5.213041 -0.046256\n6.414646 0.000000 0.000000\n0.000000 -0.164957 -9.144013\nNa Mn Si C O\n6 2 2 2 14\ndirect\n0.219832 0.750000 0.096357 Na\n0.740556 0.998107 0.260576 Na\n0.740556 0.501894 0.260576 Na\n0.259443 0.498107 0.739424 Na\n0.259443 0.001893 0.739424 Na\n0.780167 0.250000 0.903643 Na\n0.216215 0.250000 0.354720 Mn\n0.783784 0.750000 0.645280 Mn\n0.687249 0.250000 0.572316 Si\n0.312751 0.750000 0.427684 Si\n0.282729 0.250000 0.054260 C\n0.717270 0.750000 0.945740 C\n0.487400 0.750000 0.894328 O\n0.749379 0.047230 0.679458 O\n0.749379 0.452771 0.679458 O\n0.370667 0.250000 0.542056 O\n0.160806 0.750000 0.580847 O\n0.839193 0.250000 0.419153 O\n0.764969 0.750000 0.084606 O\n0.250620 0.547230 0.320542 O\n0.250620 0.952771 0.320542 O\n0.512599 0.250000 0.105672 O\n0.086457 0.250000 0.143782 O\n0.913542 0.750000 0.856218 O\n0.629332 0.750000 0.457944 O\n0.235030 0.250000 0.915394 O\n",
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"density_atomic": 0.08501648910973938,
"volume": 305.8230264771246,
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"formula_full": "Na6 Mn2 Si2 C2 O14",
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{
"id": "jvasp-92602",
"created_at": "2022-09-04T14:35:49.875870Z",
"updated_at": "2022-09-04T14:35:49.875896Z",
"structure_string": "Na1 Mo1 O3\n1.0\n3.888779 0.000000 0.000000\n-0.000000 3.888779 0.000000\n-0.000000 -0.000000 3.888779\nNa Mo O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Mo\n0.500000 0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n",
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},
{
"id": "jvasp-115293",
"created_at": "2022-09-04T14:38:45.275699Z",
"updated_at": "2022-09-04T14:38:45.275744Z",
"structure_string": "V1 Pb1 O3\n1.0\n3.880410 -0.000000 -0.000000\n-0.000000 3.880410 0.000000\n-0.000000 -0.000000 3.905528\nV Pb O\n1 1 3\ndirect\n0.500000 0.500000 0.632044 V\n0.000000 0.000000 0.131996 Pb\n0.000000 0.500000 0.632057 O\n0.500000 0.000000 0.632057 O\n0.500000 0.500000 0.132048 O\n",
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"formula_full": "V1 Pb1 O3",
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},
{
"id": "jvasp-39126",
"created_at": "2022-09-04T14:37:54.837230Z",
"updated_at": "2022-09-04T14:37:54.837255Z",
"structure_string": "Sc2 Al2 C2 O2\n1.0\n1.640476 0.947128 10.093025\n-1.640476 0.947128 10.093025\n0.000000 -1.894259 10.093025\nSc Al C O\n2 2 2 2\ndirect\n0.000000 0.000000 0.000000 Sc\n0.500001 0.500001 0.500000 Sc\n0.738711 0.738711 0.738709 Al\n0.261290 0.261290 0.261290 Al\n0.618382 0.618382 0.618381 C\n0.381619 0.381619 0.381618 C\n0.200001 0.200001 0.200001 O\n0.800000 0.800000 0.799997 O\n",
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{
"id": "jvasp-25585",
"created_at": "2022-09-04T14:38:27.415062Z",
"updated_at": "2022-09-04T14:38:27.415074Z",
"structure_string": "Ca2 Mg5 Si8 O22 F2\n1.0\n5.272691 0.014526 0.640163\n1.945797 8.438209 4.707356\n0.017768 -0.002750 10.316402\nCa Mg Si O F\n2 5 8 22 2\ndirect\n0.500000 0.277189 0.445624 Ca\n0.500000 0.722812 0.554376 Ca\n0.500000 0.088279 0.823444 Mg\n0.000000 0.000000 0.000000 Mg\n0.500000 0.911722 0.176556 Mg\n0.000001 0.824314 0.351371 Mg\n0.000000 0.175686 0.648629 Mg\n0.701228 0.367792 0.832504 Si\n0.805765 0.881513 0.657110 Si\n0.298773 0.799704 0.832504 Si\n0.805765 0.538623 0.342890 Si\n0.298772 0.632209 0.167496 Si\n0.194236 0.461378 0.657110 Si\n0.701228 0.200297 0.167496 Si\n0.194235 0.118488 0.342890 Si\n0.209602 0.114914 0.499308 O\n0.591249 0.533842 0.238376 O\n0.104844 0.787267 0.726924 O\n0.209602 0.614222 0.500692 O\n0.291693 0.656418 0.000000 O\n0.895157 0.212733 0.273075 O\n0.725139 0.051183 0.660964 O\n0.790399 0.385779 0.499307 O\n0.725140 0.712148 0.339035 O\n0.218771 0.971364 0.831188 O\n0.895157 0.485809 0.726924 O\n0.274861 0.287852 0.660965 O\n0.790399 0.885086 0.500692 O\n0.781230 0.028637 0.168812 O\n0.408752 0.466159 0.761624 O\n0.708308 0.343583 -0.000000 O\n0.274861 0.948817 0.339035 O\n0.408751 0.227783 0.238376 O\n0.591249 0.772218 0.761624 O\n0.218771 0.802551 0.168812 O\n0.104843 0.514191 0.273076 O\n0.781230 0.197449 0.831187 O\n0.712893 0.896989 -0.000000 F\n0.287107 0.103011 -0.000000 F\n",
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{
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"structure_string": "Na6 Li6 S6 O24\n1.0\n7.596430 -0.000000 0.000000\n-3.798215 6.578701 -0.000000\n-0.000000 0.000000 9.884198\nNa Li S O\n6 6 6 24\ndirect\n0.543346 0.516898 0.489201 Na\n0.483102 0.026448 0.489201 Na\n0.973552 0.456655 0.489201 Na\n0.456655 0.973552 0.989201 Na\n0.026448 0.483102 0.989201 Na\n0.516899 0.543345 0.989201 Na\n0.037782 0.792457 0.761372 Li\n0.207543 0.245325 0.761372 Li\n0.754676 0.962218 0.761372 Li\n0.792457 0.037782 0.261372 Li\n0.245325 0.207543 0.261372 Li\n0.962219 0.754675 0.261372 Li\n0.000000 0.000000 0.501852 S\n0.666667 0.333333 0.195416 S\n0.333333 0.666667 0.695416 S\n0.000000 0.000000 0.001852 S\n0.333333 0.666667 0.263357 S\n0.666667 0.333333 0.763357 S\n0.787478 0.886699 0.952042 O\n0.473991 0.312856 0.814721 O\n0.687144 0.161135 0.814721 O\n0.838866 0.526009 0.814721 O\n0.312856 0.473991 0.314721 O\n0.161135 0.687144 0.314721 O\n0.526010 0.838865 0.314721 O\n0.000000 0.000000 0.155139 O\n0.000000 0.000000 0.655139 O\n0.666667 0.333333 0.344876 O\n0.333333 0.666667 0.844876 O\n0.229954 0.775519 0.643216 O\n0.224481 0.454434 0.643216 O\n0.545566 0.770046 0.643216 O\n0.775520 0.229954 0.143216 O\n0.454435 0.224481 0.143216 O\n0.770046 0.545565 0.143216 O\n0.212522 0.099221 0.452042 O\n0.900779 0.113301 0.452042 O\n0.886700 0.787478 0.452042 O\n0.333333 0.666667 0.113706 O\n0.113301 0.900778 0.952042 O\n0.666667 0.333333 0.613706 O\n0.099222 0.212522 0.952042 O\n",
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]
}