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{
"id": "jvasp-43597",
"created_at": "2022-09-04T14:36:09.560808Z",
"updated_at": "2022-09-04T14:36:09.560825Z",
"structure_string": "Li4 Mn4 F16\n1.0\n6.285638 -0.000000 0.000000\n0.000000 6.305176 0.000000\n0.000000 0.000000 6.555029\nLi Mn F\n4 4 16\ndirect\n0.249979 0.250000 0.250034 Li\n0.250021 0.750000 0.750034 Li\n0.749979 0.250000 0.249966 Li\n0.750021 0.750000 0.749966 Li\n-0.000007 0.250000 0.749916 Mn\n0.500007 0.750000 0.249916 Mn\n0.499993 0.250000 0.750084 Mn\n0.000007 0.750000 0.250084 Mn\n0.750055 0.250000 0.945738 F\n0.750062 0.750000 0.054257 F\n0.749938 0.250000 0.554257 F\n0.749946 0.750000 0.445738 F\n0.500002 0.540216 0.750085 F\n0.500002 0.959785 0.750085 F\n0.499998 0.459785 0.249915 F\n0.249938 0.250000 0.945743 F\n0.250055 0.250000 0.554262 F\n0.250062 0.750000 0.445743 F\n0.999998 0.459785 0.250085 F\n0.249946 0.750000 0.054262 F\n0.000002 0.540216 0.749915 F\n0.000002 0.959785 0.749915 F\n0.499998 0.040216 0.249915 F\n0.999998 0.040216 0.250085 F\n",
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{
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"structure_string": "Sc2 Fe2 O6\n1.0\n3.289510 0.000000 0.000000\n-1.644755 2.848799 0.000000\n-0.000000 -0.000000 11.552156\nSc Fe O\n2 2 6\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.000000 0.500000 Sc\n0.333332 0.666667 0.750000 Fe\n0.666666 0.333333 0.250000 Fe\n0.000000 0.000000 0.250000 O\n0.000000 0.000000 0.750000 O\n0.333332 0.666667 0.584830 O\n0.333332 0.666667 0.915171 O\n0.666666 0.333333 0.415170 O\n0.666666 0.333333 0.084830 O\n",
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{
"id": "jvasp-55817",
"created_at": "2022-09-04T14:38:13.392794Z",
"updated_at": "2022-09-04T14:38:13.392825Z",
"structure_string": "V4 Cd4 O12\n1.0\n5.307203 -0.000000 0.000000\n-0.000000 5.379474 0.000000\n0.000000 0.000000 7.583733\nV Cd O\n4 4 12\ndirect\n0.500000 0.000000 0.500000 V\n0.000000 0.500000 0.500000 V\n0.000000 0.500000 0.000000 V\n0.500000 0.000000 0.000000 V\n0.007989 0.964704 0.750000 Cd\n0.507989 0.535295 0.250000 Cd\n0.492010 0.464704 0.750000 Cd\n0.992010 0.035296 0.250000 Cd\n0.586952 0.021598 0.750000 O\n0.086952 0.478401 0.250000 O\n0.704893 0.291148 0.044510 O\n0.204893 0.208852 0.955489 O\n0.795106 0.791148 0.455490 O\n0.204893 0.208852 0.544510 O\n0.295107 0.708851 0.955489 O\n0.795106 0.791148 0.044510 O\n0.913047 0.521598 0.750000 O\n0.704893 0.291148 0.455490 O\n0.295107 0.708851 0.544510 O\n0.413047 0.978401 0.250000 O\n",
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{
"id": "jvasp-119346",
"created_at": "2022-09-04T14:38:48.077116Z",
"updated_at": "2022-09-04T14:38:48.077139Z",
"structure_string": "Li4 Mn2 F8\n1.0\n5.182909 -0.000000 2.992354\n1.727636 4.886494 2.992354\n-0.000000 -0.000000 5.984708\nLi Mn F\n4 2 8\ndirect\n0.625001 0.625000 0.124999 Li\n0.625001 0.625000 0.624999 Li\n0.625000 0.125000 0.625000 Li\n0.125001 0.625000 0.625000 Li\n0.250000 0.250000 0.250000 Mn\n0.000000 0.000000 0.000000 Mn\n0.864355 0.864353 0.406936 F\n0.864354 0.406937 0.864353 F\n0.864355 0.864353 0.864353 F\n0.406938 0.864353 0.864353 F\n0.843063 0.385646 0.385645 F\n0.385646 0.385646 0.385646 F\n0.385647 0.843062 0.385645 F\n0.385646 0.385646 0.843063 F\n",
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{
"id": "jvasp-15688",
"created_at": "2022-09-04T14:36:44.881477Z",
"updated_at": "2022-09-04T14:36:44.881497Z",
"structure_string": "Ho1 Ni2 B2 C1\n1.0\n3.368876 -0.000000 -1.067635\n-0.338346 3.351842 -1.067635\n-0.024952 -0.027597 5.770252\nHo Ni B C\n1 2 2 1\ndirect\n0.000000 0.000000 0.000000 Ho\n0.250000 0.749999 0.499999 Ni\n0.750001 0.249999 0.499999 Ni\n0.357328 0.357327 0.714654 B\n0.642673 0.642672 0.285344 B\n0.500000 0.500000 -0.000001 C\n",
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"elements": [
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{
"id": "jvasp-105334",
"created_at": "2022-09-04T14:36:57.835934Z",
"updated_at": "2022-09-04T14:36:57.835953Z",
"structure_string": "Zr1 Ti1 Ni2 H2\n1.0\n5.141027 0.029506 0.000000\n-4.071496 3.139100 0.000000\n-0.000000 0.000000 3.995579\nZr Ti Ni H\n1 1 2 2\ndirect\n0.166673 0.833327 -0.000000 Zr\n0.882867 0.117135 0.500000 Ti\n0.588258 0.411743 0.500000 Ni\n0.434377 0.565624 -0.000000 Ni\n0.100052 0.899947 0.500000 H\n0.827774 0.172228 -0.000000 H\n",
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"density_atomic": 0.09236247379319448,
"volume": 64.96144758351087,
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},
{
"id": "jvasp-111970",
"created_at": "2022-09-04T14:38:51.099873Z",
"updated_at": "2022-09-04T14:38:51.099899Z",
"structure_string": "Li4 V2 Co2 O10\n1.0\n6.541460 0.000000 0.000000\n0.000000 6.541460 0.000000\n0.000000 -0.000000 4.554377\nLi V Co O\n4 2 2 10\ndirect\n0.750000 0.250000 0.000000 Li\n0.250000 0.250000 0.000000 Li\n0.250000 0.750000 0.000000 Li\n0.750000 0.750000 0.000000 Li\n0.000000 0.500000 0.620835 V\n0.500000 0.000000 0.379166 V\n0.500000 0.500000 0.500000 Co\n0.000000 0.000000 0.500000 Co\n0.224974 0.000000 0.256684 O\n0.775026 0.000000 0.256684 O\n0.000000 0.775026 0.743317 O\n0.500000 0.724974 0.256684 O\n0.500000 0.275026 0.256684 O\n0.275026 0.500000 0.743317 O\n0.000000 0.500000 0.254883 O\n0.500000 0.000000 0.745117 O\n0.724974 0.500000 0.743317 O\n0.000000 0.224974 0.743317 O\n",
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"volume": 194.8849750280036,
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"formula_full": "Li4 V2 Co2 O10",
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{
"id": "jvasp-43531",
"created_at": "2022-09-04T14:36:12.543140Z",
"updated_at": "2022-09-04T14:36:12.543172Z",
"structure_string": "Li2 V2 F8\n1.0\n0.000000 4.563715 -0.072222\n5.557818 0.000000 0.000000\n0.000000 -0.237007 -5.118682\nLi V F\n2 2 8\ndirect\n0.499999 0.365942 0.750000 Li\n0.499999 0.634058 0.250000 Li\n-0.000000 0.844688 0.750000 V\n-0.000000 0.155312 0.250000 V\n0.224291 0.115893 0.918386 F\n0.224291 0.884107 0.418386 F\n0.262230 0.626235 0.912303 F\n0.262231 0.373765 0.412304 F\n0.737768 0.626235 0.587696 F\n0.737768 0.373765 0.087696 F\n0.775707 0.115893 0.581613 F\n0.775707 0.884107 0.081613 F\n",
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"volume": 129.92690624544102,
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"formula_full": "Li2 V2 F8",
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},
{
"id": "jvasp-43590",
"created_at": "2022-09-04T14:35:47.589968Z",
"updated_at": "2022-09-04T14:35:47.589990Z",
"structure_string": "Li2 Fe2 F8\n1.0\n4.982286 0.051219 0.382194\n-0.110941 4.628823 0.076296\n-0.430036 -0.102249 5.598038\nLi Fe F\n2 2 8\ndirect\n0.749991 -0.000008 0.649252 Li\n0.250009 0.000008 0.350748 Li\n0.750026 0.499955 0.172501 Fe\n0.249974 0.500044 0.827500 Fe\n0.586080 0.237613 0.380710 F\n0.076185 0.274440 0.111039 F\n0.086059 0.237601 0.619309 F\n0.576145 0.274436 0.888980 F\n0.423855 0.725563 0.111020 F\n0.913941 0.762398 0.380691 F\n0.923815 0.725559 0.888961 F\n0.413920 0.762387 0.619290 F\n",
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"formula_full": "Li2 Fe2 F8",
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{
"id": "jvasp-66866",
"created_at": "2022-09-04T14:36:20.877858Z",
"updated_at": "2022-09-04T14:36:20.877888Z",
"structure_string": "Be1 V1 Co1\n1.0\n1.258373 -2.179565 -0.000000\n1.258373 2.179565 0.000000\n0.000000 -0.000000 5.922032\nBe V Co\n1 1 1\ndirect\n0.000000 0.000000 0.981390 Be\n0.666666 0.333331 0.337197 V\n0.333331 0.666666 0.681412 Co\n",
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{
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"created_at": "2022-09-04T14:38:08.397066Z",
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"structure_string": "Li4 Mn4 F12\n1.0\n5.034152 0.129143 -0.085661\n-2.403897 4.424951 -0.085347\n-0.162382 -0.280901 9.598932\nLi Mn F\n4 4 12\ndirect\n0.313412 0.649743 0.540360 Li\n0.350352 0.686660 0.959629 Li\n0.686589 0.350278 0.459640 Li\n0.649645 0.313359 0.040370 Li\n-0.007431 0.007557 0.749999 Mn\n0.007431 -0.007535 0.250001 Mn\n0.327831 0.672092 0.250002 Mn\n0.672169 0.327928 0.749998 Mn\n0.972035 0.333460 0.616652 F\n0.666625 0.028032 0.883345 F\n0.370213 0.342398 0.874151 F\n0.645616 0.985580 0.369330 F\n0.354380 0.014438 0.630669 F\n0.342325 0.370123 0.374142 F\n0.333373 0.971987 0.116655 F\n0.027965 0.666559 0.383347 F\n0.657675 0.629897 0.625858 F\n0.014305 0.354303 0.130688 F\n0.629786 0.657622 0.125849 F\n0.985696 0.645717 0.869312 F\n",
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{
"id": "jvasp-48005",
"created_at": "2022-09-04T14:35:50.500167Z",
"updated_at": "2022-09-04T14:35:50.500188Z",
"structure_string": "Fe8 O8 F8\n1.0\n0.000000 9.305118 -0.008660\n3.011029 0.000000 0.000000\n0.000000 -0.005227 -9.275559\nFe O F\n8 8 8\ndirect\n0.982194 0.000000 0.005622 Fe\n0.993699 0.000000 0.514893 Fe\n0.771079 0.500000 0.747768 Fe\n0.781469 0.500000 0.258532 Fe\n0.481751 0.000000 0.496881 Fe\n0.488211 0.000000 0.013258 Fe\n0.239352 0.500000 0.724082 Fe\n0.264915 0.500000 0.251311 Fe\n0.140412 0.000000 0.642711 O\n0.343789 0.000000 0.339974 O\n0.395551 0.500000 0.106534 O\n0.398168 0.500000 0.590938 O\n0.857545 0.000000 0.358865 O\n0.846651 0.000000 0.850655 O\n0.905070 0.500000 0.104970 O\n0.899893 0.500000 0.598748 O\n0.648877 0.000000 0.649610 F\n0.656147 0.000000 0.153565 F\n0.592271 0.500000 0.901839 F\n0.601196 0.500000 0.395208 F\n0.344370 0.000000 0.845322 F\n0.156684 0.000000 0.152716 F\n0.104401 0.500000 0.903676 F\n0.106301 0.500000 0.392321 F\n",
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]
}