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{
"id": "jvasp-117082",
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"structure_string": "Li8 Co2 O2 F10\n1.0\n4.858402 -0.018727 -2.204937\n-2.654661 6.711814 0.000827\n0.105741 0.041283 6.483885\nLi Co O F\n8 2 2 10\ndirect\n0.725651 0.681638 0.618723 Li\n0.725651 0.181637 0.618721 Li\n0.274732 0.318877 0.383120 Li\n0.274731 0.818878 0.383121 Li\n0.670170 0.167737 0.198381 Li\n0.670171 0.667738 0.198383 Li\n0.330204 0.832782 0.803461 Li\n0.330203 0.332782 0.803459 Li\n0.000173 0.500258 0.000914 Co\n0.000172 0.000253 0.000914 Co\n0.000172 0.750256 0.000909 O\n0.000173 0.250253 0.000909 O\n0.000177 0.750265 0.500901 F\n0.000178 0.250263 0.500900 F\n0.703422 0.426059 0.122734 F\n0.703421 0.926058 0.122733 F\n0.296905 0.574448 0.879079 F\n0.296907 0.074450 0.879080 F\n0.628758 0.407405 0.678724 F\n0.628758 0.907406 0.678725 F\n0.371592 0.593104 0.323105 F\n0.371592 0.093104 0.323104 F\n",
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{
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"structure_string": "Li4 Ti2 Ni2 O8\n1.0\n2.957132 0.000017 0.000006\n-0.000061 9.507629 1.839992\n-0.000011 0.007349 5.098403\nLi Ti Ni O\n4 2 2 8\ndirect\n0.000000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Li\n0.500000 0.750000 0.250000 Li\n0.500000 0.250000 0.750000 Li\n0.000001 0.750001 0.749999 Ti\n0.000000 0.249999 0.250000 Ti\n0.500000 0.000000 0.500000 Ni\n0.500000 0.500000 0.000000 Ni\n0.000000 0.127726 0.604361 O\n0.000000 0.627726 0.104365 O\n1.000000 0.872274 0.395639 O\n1.000000 0.372274 0.895635 O\n0.500000 0.863719 0.869537 O\n0.500000 0.363720 0.369536 O\n0.500000 0.136282 0.130463 O\n0.500000 0.636282 0.630464 O\n",
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{
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"created_at": "2022-09-04T14:38:50.200986Z",
"updated_at": "2022-09-04T14:38:50.201003Z",
"structure_string": "Li2 V2 Ni2 O8\n1.0\n4.668330 0.000000 2.028107\n-0.000000 6.159700 0.000000\n-0.003284 -0.000000 5.089843\nLi V Ni O\n2 2 2 8\ndirect\n0.335428 0.750000 0.335427 Li\n0.664573 0.250000 0.664572 Li\n0.352307 0.250000 0.352306 V\n0.647694 0.750000 0.647693 V\n0.000000 0.500000 -0.000000 Ni\n0.000000 0.000000 0.000000 Ni\n0.234783 0.025708 0.234783 O\n0.234783 0.474292 0.234783 O\n0.765218 0.974292 0.765217 O\n0.765218 0.525708 0.765217 O\n0.731904 0.250000 0.233935 O\n0.766066 0.750000 0.268097 O\n0.233935 0.250000 0.731903 O\n0.268098 0.750000 0.766065 O\n",
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"formula_full": "Li2 V2 Ni2 O8",
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{
"id": "jvasp-117087",
"created_at": "2022-09-04T14:38:48.506680Z",
"updated_at": "2022-09-04T14:38:48.506706Z",
"structure_string": "Li4 Fe6 Co2 O16\n1.0\n5.571043 0.000000 0.000000\n-2.785522 4.824664 0.000000\n-0.000000 -0.000000 9.204304\nLi Fe Co O\n4 6 2 16\ndirect\n0.333333 0.666666 0.893238 Li\n0.000000 0.000000 0.996024 Li\n0.000000 0.000000 0.496024 Li\n0.666666 0.333333 0.393238 Li\n0.825930 0.651859 0.712189 Fe\n0.348140 0.174070 0.712189 Fe\n0.825930 0.174070 0.712189 Fe\n0.174070 0.348140 0.212189 Fe\n0.174070 0.825929 0.212189 Fe\n0.651860 0.825929 0.212189 Fe\n0.333333 0.666666 0.487432 Co\n0.666666 0.333333 0.987432 Co\n0.332229 0.166115 0.102764 O\n0.833885 0.667770 0.102764 O\n0.666666 0.333333 0.597236 O\n0.519721 0.039444 0.842747 O\n0.519721 0.480278 0.842747 O\n0.667770 0.833885 0.602763 O\n0.480278 0.519721 0.342747 O\n0.039444 0.519721 0.342747 O\n0.166115 0.332229 0.602763 O\n0.000000 0.000000 0.806607 O\n0.000000 0.000000 0.306607 O\n0.333333 0.666666 0.097236 O\n0.960556 0.480278 0.842747 O\n0.166115 0.833885 0.602763 O\n0.480278 0.960555 0.342747 O\n0.833885 0.166115 0.102764 O\n",
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"formula_full": "Li4 Fe6 Co2 O16",
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{
"id": "jvasp-117088",
"created_at": "2022-09-04T14:38:46.531452Z",
"updated_at": "2022-09-04T14:38:46.531474Z",
"structure_string": "Li4 Mn4 P4 O16\n1.0\n6.045864 0.000039 0.000117\n-0.000181 6.761349 -3.412003\n-0.000034 0.043316 8.490025\nLi Mn P O\n4 4 4 16\ndirect\n0.766607 0.259315 0.518604 Li\n0.266597 0.259369 0.518609 Li\n0.266597 0.740636 0.481398 Li\n0.766607 0.740683 0.481393 Li\n0.016605 0.315102 0.199959 Mn\n0.016581 0.684899 0.800043 Mn\n0.516610 0.115143 0.799979 Mn\n0.516591 0.884858 0.200023 Mn\n0.016649 0.917691 0.253545 P\n0.516651 0.335820 0.253502 P\n0.516641 0.664180 0.746500 P\n0.016657 0.082310 0.746456 P\n0.016604 0.150807 0.346868 O\n0.516600 0.196035 0.346844 O\n0.228781 0.847192 0.312675 O\n0.728802 0.465428 0.312633 O\n0.728780 0.534565 0.687360 O\n0.228801 0.152806 0.687330 O\n0.804464 0.847140 0.312570 O\n0.516774 0.211137 0.054962 O\n0.304447 0.534624 0.687465 O\n0.804484 0.152861 0.687425 O\n0.016796 0.843880 0.055006 O\n0.516789 0.788866 0.945041 O\n0.016600 0.849194 0.653134 O\n0.016784 0.156124 0.944995 O\n0.304469 0.465384 0.312547 O\n0.516600 0.803966 0.653157 O\n",
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],
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"formula_full": "Li4 Mn4 P4 O16",
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{
"id": "jvasp-117089",
"created_at": "2022-09-04T14:38:43.182796Z",
"updated_at": "2022-09-04T14:38:43.182811Z",
"structure_string": "Mn3 Co1 P4 O16\n1.0\n5.803843 -0.000000 0.000000\n0.000000 4.744632 -0.002895\n-0.000000 -0.043876 9.671048\nMn Co P O\n3 1 4 16\ndirect\n-0.000000 0.427690 0.780346 Mn\n0.500000 0.572329 0.224029 Mn\n0.500000 0.922911 0.720925 Mn\n-0.000000 0.067514 0.274476 Co\n0.500000 0.118513 0.407261 P\n0.500000 0.389192 0.910016 P\n-0.000000 0.609510 0.090071 P\n-0.000000 0.884331 0.591169 P\n0.792508 0.733351 0.666408 O\n0.500000 0.798044 0.382183 O\n0.500000 0.708246 0.883687 O\n0.210063 0.761057 0.162378 O\n0.789936 0.761057 0.162378 O\n-0.000000 0.673809 0.933125 O\n0.500000 0.335881 0.066011 O\n-0.000000 0.203370 0.620460 O\n0.292341 0.237495 0.836836 O\n-0.000000 0.292545 0.108856 O\n0.207491 0.733351 0.666408 O\n0.707888 0.270871 0.336699 O\n0.292112 0.270871 0.336699 O\n0.500000 0.161725 0.565582 O\n0.707658 0.237495 0.836836 O\n-0.000000 0.828827 0.437169 O\n",
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],
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"formula_full": "Mn3 Co1 P4 O16",
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{
"id": "jvasp-117090",
"created_at": "2022-09-04T14:38:48.236410Z",
"updated_at": "2022-09-04T14:38:48.236435Z",
"structure_string": "Na8 Fe4 O8\n1.0\n5.665247 -0.461399 -0.077051\n-1.340016 7.767774 -0.127321\n-0.091698 -0.111591 6.028728\nNa Fe O\n8 4 8\ndirect\n0.502076 0.016380 0.249502 Na\n0.013203 0.036492 0.253178 Na\n0.986696 0.963535 0.746837 Na\n0.497783 0.983582 0.750590 Na\n0.896416 0.330821 0.876532 Na\n0.350857 0.312887 0.632459 Na\n0.649283 0.687146 0.367596 Na\n0.103788 0.669180 0.123430 Na\n0.177151 0.638475 0.593807 Fe\n0.822723 0.361472 0.406071 Fe\n0.608008 0.640232 0.864864 Fe\n0.392114 0.359725 0.135241 Fe\n0.808035 0.146378 0.538100 O\n0.293246 0.145015 0.970378 O\n0.706636 0.854988 0.029651 O\n0.191791 0.853614 0.461901 O\n0.739720 0.469720 0.143091 O\n0.221943 0.467691 0.353379 O\n0.778136 0.532293 0.646604 O\n0.260386 0.530368 0.856793 O\n",
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{
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"created_at": "2022-09-04T14:38:46.551828Z",
"updated_at": "2022-09-04T14:38:46.551857Z",
"structure_string": "Li4 Nb2 Fe3 Co3 O16\n1.0\n5.764494 0.026191 0.064086\n2.892945 4.986076 0.064086\n-0.076987 -0.044572 9.396277\nLi Nb Fe Co O\n4 2 3 3 16\ndirect\n0.668388 0.668389 0.101192 Li\n0.000298 0.000298 0.004780 Li\n-0.000023 -0.000023 0.503669 Li\n0.334450 0.334451 0.604737 Li\n0.667179 0.667181 0.505935 Nb\n0.331443 0.331444 0.004260 Nb\n0.830514 0.830517 0.783154 Fe\n0.175512 0.655757 0.283302 Fe\n0.655755 0.175513 0.283302 Fe\n0.167848 0.167849 0.285561 Co\n0.337484 0.831134 0.784729 Co\n0.831131 0.337487 0.784729 Co\n0.163103 0.163104 0.901478 O\n0.161862 0.673866 0.900057 O\n0.331703 0.331704 0.390971 O\n0.482901 0.036223 0.166482 O\n0.036222 0.482902 0.166482 O\n0.837267 0.837269 0.399887 O\n0.966297 0.516543 0.666371 O\n0.518159 0.518161 0.666112 O\n0.833338 0.327887 0.401179 O\n-0.001572 -0.001572 0.194073 O\n-0.001431 -0.001431 0.692157 O\n0.668279 0.668282 0.887799 O\n0.485420 0.485422 0.162088 O\n0.327886 0.833340 0.401179 O\n0.516541 0.966300 0.666371 O\n0.673864 0.161864 0.900057 O\n",
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"structure_string": "Li4 Co4 Si4 O16\n1.0\n5.277124 0.000000 0.000000\n-0.000000 7.809347 2.140980\n-0.000000 0.124328 8.251017\nLi Co Si O\n4 4 4 16\ndirect\n0.841030 0.030438 0.076978 Li\n0.332485 0.496263 0.282960 Li\n0.158969 0.030439 0.576978 Li\n0.667514 0.496263 0.782960 Li\n0.332578 0.134137 0.200962 Co\n0.832795 0.626081 0.393292 Co\n0.667421 0.134137 0.700962 Co\n0.167204 0.626081 0.893292 Co\n0.169495 0.261870 0.821969 Si\n0.337138 0.752028 0.513965 Si\n0.830504 0.261870 0.321969 Si\n0.662862 0.752028 0.013964 Si\n0.312736 0.434249 0.843595 O\n0.214447 0.786372 0.685332 O\n0.871385 0.302028 0.764041 O\n0.320802 0.188331 0.681783 O\n0.624968 0.673394 0.556323 O\n0.316363 0.947419 0.387521 O\n0.177204 0.614814 0.438443 O\n0.375031 0.673394 0.056323 O\n0.687264 0.434249 0.343594 O\n0.785552 0.786372 0.185332 O\n0.128614 0.302028 0.264041 O\n0.679197 0.188331 0.181782 O\n0.822795 0.614814 0.938443 O\n0.175263 0.113783 0.006637 O\n0.824736 0.113783 0.506637 O\n0.683637 0.947419 0.887521 O\n",
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"structure_string": "V6 O2 F22\n1.0\n5.012519 0.004753 -0.005669\n-0.002646 5.334262 -0.872545\n-0.002092 0.137135 13.951158\nV O F\n6 2 22\ndirect\n-0.001308 0.003180 -0.000516 V\n0.451047 0.172721 0.330533 V\n0.010577 0.310655 0.666064 V\n0.498620 0.503285 -0.000156 V\n0.960527 0.672019 0.333350 V\n0.529250 0.780683 0.662559 V\n0.394992 0.136817 0.215608 O\n0.710148 0.523871 0.635179 O\n0.215484 0.632577 0.700726 F\n0.624799 0.526475 0.117937 F\n0.884288 0.699229 0.456165 F\n0.619163 0.874447 0.784590 F\n0.663547 0.844763 0.299291 F\n0.388952 0.815895 0.549866 F\n0.121258 0.982044 0.881138 F\n0.277781 0.474048 0.370985 F\n0.124850 0.654833 0.221598 F\n0.187420 0.322654 0.032547 F\n0.125806 0.314237 0.547989 F\n0.780194 0.372691 0.297974 F\n0.391264 0.478207 0.879406 F\n0.312550 0.817559 0.031862 F\n0.891909 0.367533 0.785712 F\n0.649950 0.185101 0.441674 F\n0.893582 0.026842 0.120165 F\n0.306479 0.137711 0.699236 F\n0.687140 0.184601 0.967690 F\n0.815512 0.009475 0.633065 F\n0.812335 0.688715 0.966830 F\n0.171880 0.987126 0.370944 F\n",
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{
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"structure_string": "Li5 Co2 Cu2 P4 O16\n1.0\n4.750243 0.038932 0.237008\n0.130634 6.098937 0.254181\n-0.039186 0.035005 10.209116\nLi Co Cu P O\n5 2 2 4 16\ndirect\n0.001687 0.500839 0.001051 Li\n0.100648 0.971589 0.128473 Li\n0.501359 0.000973 0.500765 Li\n0.501386 0.500912 0.501098 Li\n0.902545 0.030228 0.873716 Li\n0.539059 0.727737 0.218542 Co\n0.464038 0.274045 0.783542 Co\n0.058866 0.273440 0.296213 Cu\n0.943947 0.728415 0.705929 Cu\n0.411857 0.757986 0.906808 P\n0.919854 0.247578 0.600175 P\n0.591287 0.243831 0.095288 P\n0.083096 0.754252 0.401933 P\n0.196230 0.774689 0.540855 O\n0.294055 0.981531 0.849205 O\n0.281976 0.567548 0.833080 O\n0.759563 0.452826 0.658982 O\n0.795510 0.056483 0.690416 O\n0.242032 0.259260 0.600562 O\n0.806603 0.227028 0.461279 O\n0.266727 0.254760 0.103456 O\n0.207651 0.945449 0.311815 O\n0.243380 0.549059 0.343066 O\n0.721181 0.434248 0.169044 O\n0.709100 0.020281 0.152894 O\n0.736421 0.747060 0.898642 O\n0.292778 0.731905 0.051869 O\n0.760919 0.742618 0.401464 O\n0.710387 0.269950 0.950238 O\n",
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"elements": [
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],
"chemical_system": "Co-Cu-Li-O-P",
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"density_atomic": 0.09806047552524069,
"volume": 295.73586957097126,
"volume_molar": 6.141251842542723,
"formula_full": "Li5 Co2 Cu2 P4 O16",
"formula_reduced": "Li5Co2Cu2(PO4)4",
"formula_anonymous": "A2B2C4D5E16",
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"spacegroup": 2
},
{
"id": "jvasp-117097",
"created_at": "2022-09-04T14:38:48.567581Z",
"updated_at": "2022-09-04T14:38:48.567618Z",
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"elements": [
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],
"chemical_system": "F-V",
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"formula_full": "V4 F20",
"formula_reduced": "VF5",
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}
]
}