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{
"id": "jvasp-43010",
"created_at": "2022-09-04T14:38:14.919234Z",
"updated_at": "2022-09-04T14:38:14.919245Z",
"structure_string": "Li3 Mn4 O8\n1.0\n-0.000000 4.010872 4.010872\n4.010872 -0.000000 4.010872\n4.142272 4.142272 -0.131400\nLi Mn O\n3 4 8\ndirect\n0.144830 0.144830 0.065508 Li\n-0.000000 -0.000000 0.500000 Li\n0.855169 0.855169 0.934491 Li\n0.500000 0.500000 -0.000000 Mn\n0.500000 -0.000000 0.500000 Mn\n-0.000000 0.500000 0.500000 Mn\n0.500000 0.500000 0.500000 Mn\n0.724597 0.256322 0.262758 O\n0.256322 0.256322 0.262758 O\n0.256322 0.724597 0.262758 O\n0.266726 0.266726 0.699820 O\n0.743677 0.275403 0.737241 O\n0.733273 0.733273 0.300179 O\n0.743677 0.743677 0.737241 O\n0.275403 0.743677 0.737241 O\n",
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{
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"structure_string": "Li3 Fe2 Si2 O8\n1.0\n5.003691 0.012395 0.013947\n-0.047986 5.313935 -0.003771\n0.007367 -0.064235 6.377099\nLi Fe Si O\n3 2 2 8\ndirect\n0.501893 0.176681 0.002317 Li\n0.005479 0.821332 0.501477 Li\n0.998777 0.342552 0.754176 Li\n0.005985 0.829645 0.017207 Fe\n0.501497 0.167351 0.500351 Fe\n0.009980 0.325715 0.252745 Si\n0.503419 0.678181 0.754769 Si\n0.894396 0.185685 0.035140 O\n0.333787 0.279253 0.253255 O\n0.934405 0.624263 0.254129 O\n0.891549 0.188932 0.469407 O\n0.394199 0.827575 0.547872 O\n0.836149 0.684905 0.761863 O\n0.400654 0.379838 0.746472 O\n0.385758 0.827647 0.961501 O\n",
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"volume": 169.56460421587317,
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"formula_full": "Li3 Fe2 Si2 O8",
"formula_reduced": "Li3Fe2(SiO4)2",
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"spacegroup": 1
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{
"id": "jvasp-45931",
"created_at": "2022-09-04T14:38:09.363732Z",
"updated_at": "2022-09-04T14:38:09.363765Z",
"structure_string": "Li3 Ti1 Co3 O8\n1.0\n5.091197 1.503203 -2.403774\n1.605541 -5.437805 0.000000\n1.605541 -2.481880 -4.838388\nLi Ti Co O\n3 1 3 8\ndirect\n0.500000 0.000001 -0.000001 Li\n0.500000 0.000000 0.500000 Li\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Ti\n-0.000000 -0.000000 0.500000 Co\n-0.000000 0.500000 0.000000 Co\n-0.000000 0.499999 0.500000 Co\n0.221895 0.241535 0.019640 O\n0.221894 0.241534 0.516930 O\n0.221895 0.738825 0.019640 O\n0.209609 0.736536 0.526928 O\n0.790391 0.263464 0.473072 O\n0.778106 0.261175 0.980360 O\n0.778106 0.758465 0.483070 O\n0.778106 0.758465 0.980360 O\n",
"nsites": 15,
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],
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"density_atomic": 0.1117570505431198,
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"formula_full": "Li3 Ti1 Co3 O8",
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"formula_anonymous": "AB3C3D8",
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"spacegroup": 166
},
{
"id": "jvasp-9606",
"created_at": "2022-09-04T14:38:15.841161Z",
"updated_at": "2022-09-04T14:38:15.841174Z",
"structure_string": "Li8 Sn1 O6\n1.0\n4.875259 0.007129 3.516728\n1.803302 4.529492 3.516728\n0.010495 0.007129 6.011274\nLi Sn O\n8 1 6\ndirect\n0.494831 0.100937 0.766227 Li\n0.766227 0.494831 0.100938 Li\n0.100936 0.766227 0.494832 Li\n0.505168 0.899063 0.233774 Li\n0.233772 0.505169 0.899063 Li\n0.899062 0.233773 0.505169 Li\n0.345572 0.345572 0.345572 Li\n0.654427 0.654428 0.654428 Li\n0.000000 0.000000 0.000000 Sn\n0.236585 0.905604 0.612609 O\n0.387391 0.763414 0.094396 O\n0.094395 0.387391 0.763415 O\n0.763414 0.094396 0.387391 O\n0.612608 0.236586 0.905605 O\n0.905604 0.612609 0.236586 O\n",
"nsites": 15,
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],
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"density": 3.388661408975747,
"density_atomic": 0.11327386150625585,
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"formula_full": "Li8 Sn1 O6",
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"formula_anonymous": "AB6C8",
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"spacegroup": 148
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{
"id": "jvasp-45795",
"created_at": "2022-09-04T14:38:07.692112Z",
"updated_at": "2022-09-04T14:38:07.692132Z",
"structure_string": "Li3 Mn1 Fe3 O8\n1.0\n5.629781 -0.001021 -0.009302\n-2.813734 4.859440 -0.012111\n-2.806476 -1.628647 4.793410\nLi Mn Fe O\n3 1 3 8\ndirect\n0.999999 0.500000 0.500000 Li\n-0.000000 0.000000 0.500000 Li\n0.499999 -0.000000 0.500000 Li\n-0.000000 -0.000000 0.000000 Mn\n0.000001 0.500000 0.000000 Fe\n0.500001 0.500000 0.000001 Fe\n0.500000 -0.000001 0.000000 Fe\n0.015327 0.256025 0.774574 O\n0.520833 0.257099 0.784529 O\n0.519912 0.762670 0.781652 O\n0.024465 0.762672 0.781642 O\n0.975534 0.237327 0.218358 O\n0.480087 0.237329 0.218348 O\n0.479167 0.742900 0.215472 O\n0.984673 0.743975 0.225426 O\n",
"nsites": 15,
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],
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"density": 4.7121312638514175,
"density_atomic": 0.11464228476616703,
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"formula_full": "Li3 Mn1 Fe3 O8",
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"formula_anonymous": "AB3C3D8",
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"spacegroup": 12
},
{
"id": "jvasp-47127",
"created_at": "2022-09-04T14:38:06.665404Z",
"updated_at": "2022-09-04T14:38:06.665423Z",
"structure_string": "Li3 Si1 Ni3 O8\n1.0\n0.000000 5.041935 -0.020995\n5.557870 0.000000 0.000000\n0.000000 -1.879139 -4.730441\nLi Si Ni O\n3 1 3 8\ndirect\n0.000000 0.500000 0.000000 Li\n0.499999 0.756285 -0.000000 Li\n0.499999 0.243715 -0.000000 Li\n0.499999 0.000000 0.499999 Si\n-0.000000 0.753800 0.500000 Ni\n-0.000000 0.246200 0.500000 Ni\n0.499999 0.500000 0.499999 Ni\n0.728647 0.000000 0.297749 O\n0.763357 0.500000 0.280178 O\n0.716639 0.759883 0.716160 O\n0.283359 0.759883 0.283839 O\n0.716639 0.240117 0.716160 O\n0.271352 0.000000 0.702250 O\n0.236642 0.500000 0.719821 O\n0.283359 0.240117 0.283839 O\n",
"nsites": 15,
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"elements": [
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],
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"density": 4.414473776199293,
"density_atomic": 0.11297080038546212,
"volume": 132.77767306967144,
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"formula_full": "Li3 Si1 Ni3 O8",
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"spacegroup": 10
},
{
"id": "jvasp-10261",
"created_at": "2022-09-04T14:38:10.871778Z",
"updated_at": "2022-09-04T14:38:10.871805Z",
"structure_string": "Li8 Ce1 O6\n1.0\n5.027948 0.021733 3.746383\n1.892575 4.658207 3.746383\n0.032138 0.021733 6.270136\nLi Ce O\n8 1 6\ndirect\n0.357040 0.357039 0.357039 Li\n0.500438 0.898634 0.228790 Li\n0.228792 0.500436 0.898634 Li\n0.898635 0.228790 0.500436 Li\n0.499564 0.101365 0.771209 Li\n0.771210 0.499563 0.101365 Li\n0.642962 0.642961 0.642960 Li\n0.101367 0.771209 0.499563 Li\n0.000000 0.000000 0.000000 Ce\n0.241935 0.897986 0.602338 O\n0.102015 0.397661 0.758066 O\n0.758067 0.102014 0.397661 O\n0.602340 0.241933 0.897986 O\n0.897987 0.602338 0.241933 O\n0.397662 0.758066 0.102013 O\n",
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"formula_full": "Li8 Ce1 O6",
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"spacegroup": 148
},
{
"id": "jvasp-24356",
"created_at": "2022-09-04T14:38:30.431875Z",
"updated_at": "2022-09-04T14:38:30.431900Z",
"structure_string": "Cu6 Pb1 O8\n1.0\n5.718069 0.000000 3.301329\n1.906023 5.391047 3.301329\n-0.000000 0.000000 6.602657\nCu Pb O\n6 1 8\ndirect\n0.500000 0.000000 0.500000 Cu\n0.500000 0.500000 0.000000 Cu\n-0.000000 0.500000 0.500000 Cu\n-0.000000 0.500000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.000000 0.000000 Cu\n0.000000 0.000000 0.000000 Pb\n0.144202 0.144203 0.144203 O\n0.855797 0.432608 0.855798 O\n0.144202 0.567393 0.144203 O\n0.432607 0.855798 0.855798 O\n0.144202 0.144203 0.567393 O\n0.567393 0.144203 0.144203 O\n0.855797 0.855798 0.432608 O\n0.855797 0.855798 0.855798 O\n",
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],
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},
{
"id": "jvasp-111961",
"created_at": "2022-09-04T14:38:28.276101Z",
"updated_at": "2022-09-04T14:38:28.276131Z",
"structure_string": "Li3 Fe3 Ni1 O8\n1.0\n4.933104 0.019227 2.938861\n1.679299 4.638516 2.938861\n0.027296 0.019227 5.742096\nLi Fe Ni O\n3 3 1 8\ndirect\n-0.000000 0.500000 -0.000000 Li\n0.500000 0.000000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.500000 0.000001 0.500000 Fe\n0.000000 0.500001 0.500000 Fe\n0.499999 0.500001 -0.000000 Fe\n0.000000 0.000000 0.000000 Ni\n0.741881 0.741883 0.741881 O\n0.237805 0.738551 0.237805 O\n0.738550 0.237806 0.237805 O\n0.258118 0.258119 0.258118 O\n0.237805 0.237806 0.738550 O\n0.762194 0.261451 0.762195 O\n0.261450 0.762196 0.762194 O\n0.762194 0.762196 0.261449 O\n",
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{
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"created_at": "2022-09-04T14:38:16.033897Z",
"updated_at": "2022-09-04T14:38:16.033917Z",
"structure_string": "Ca1 Au2 F12\n1.0\n6.065712 0.000000 0.000000\n0.000000 6.065712 -0.000000\n0.000000 0.000000 6.636317\nCa Au F\n1 2 12\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.000000 0.239190 Au\n0.000000 0.500000 0.760810 Au\n0.000000 0.500000 0.053213 F\n0.500000 0.000000 0.946787 F\n0.000000 0.500000 0.471644 F\n0.255903 0.207591 0.227174 F\n0.207591 0.744097 0.772826 F\n0.792409 0.255903 0.772826 F\n0.744097 0.792409 0.227174 F\n0.744097 0.207591 0.227174 F\n0.207591 0.255903 0.772826 F\n0.792409 0.744097 0.772826 F\n0.255903 0.792409 0.227174 F\n0.500000 0.000000 0.528357 F\n",
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{
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"created_at": "2022-09-04T14:38:09.141470Z",
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"structure_string": "Li4 Ni3 O2 F6\n1.0\n5.099952 -0.004421 -0.004536\n-0.884988 -5.015197 0.004945\n-1.706288 0.270166 -5.596808\nLi Ni O F\n4 3 2 6\ndirect\n0.981899 0.261946 0.872488 Li\n0.018100 0.738053 0.127514 Li\n0.988041 0.239066 0.369444 Li\n0.011958 0.760933 0.630558 Li\n0.500000 -0.000000 0.000000 Ni\n0.501894 0.499189 0.239711 Ni\n0.498105 0.500811 0.760291 Ni\n0.725318 0.361026 0.055964 O\n0.274682 0.638973 0.944038 O\n0.231471 0.130506 0.174910 F\n0.779645 0.867525 0.310648 F\n0.760779 0.399583 0.566247 F\n0.239220 0.600417 0.433755 F\n0.768529 0.869494 0.825092 F\n0.220354 0.132475 0.689354 F\n",
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],
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"formula_full": "Li4 Ni3 O2 F6",
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},
{
"id": "jvasp-22902",
"created_at": "2022-09-04T14:38:28.191402Z",
"updated_at": "2022-09-04T14:38:28.191422Z",
"structure_string": "Tm3 Ga9 Ru3\n1.0\n6.374977 0.000000 -0.000000\n-0.000000 6.374977 0.000000\n0.000000 -0.000000 6.374977\nTm Ga Ru\n3 9 3\ndirect\n0.000000 0.500000 0.500000 Tm\n0.500000 0.500000 0.000000 Tm\n0.500000 0.000000 0.500000 Tm\n0.500000 0.500000 0.500000 Ga\n0.212873 0.212873 0.212873 Ga\n0.212873 0.787127 0.212873 Ga\n0.212873 0.212873 0.787127 Ga\n0.787127 0.212873 0.212873 Ga\n0.787127 0.787127 0.212873 Ga\n0.212873 0.787127 0.787127 Ga\n0.787127 0.212873 0.787127 Ga\n0.787127 0.787127 0.787127 Ga\n0.500000 0.000000 0.000000 Ru\n0.000000 0.000000 0.500000 Ru\n0.000000 0.500000 0.000000 Ru\n",
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],
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}
]
}