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{
"id": "jvasp-48885",
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"updated_at": "2022-09-04T14:35:41.622082Z",
"structure_string": "Li6 Co1 Si2 O8\n1.0\n5.036924 -0.018817 -0.009136\n0.534795 5.428287 -0.048474\n1.136922 0.042704 6.063707\nLi Co Si O\n6 1 2 8\ndirect\n0.846529 0.603145 0.188887 Li\n0.382605 0.737393 0.966835 Li\n0.234393 0.630158 0.393297 Li\n0.765605 0.369841 0.606704 Li\n0.617393 0.262606 0.033166 Li\n0.153469 0.396854 0.811113 Li\n0.499999 -0.000001 0.500000 Co\n0.121625 0.196180 0.276951 Si\n0.878373 0.803820 0.723049 Si\n0.702593 0.071006 0.774966 O\n0.211732 0.782719 0.705280 O\n0.297405 0.928993 0.225035 O\n0.808946 0.714053 0.482919 O\n0.765752 0.588975 0.899691 O\n0.234246 0.411024 0.100310 O\n0.191052 0.285946 0.517082 O\n0.788266 0.217280 0.294721 O\n",
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{
"id": "jvasp-48715",
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"updated_at": "2022-09-04T14:35:46.671849Z",
"structure_string": "Li4 Co2 Si2 O8\n1.0\n5.266811 0.137393 -0.033977\n0.135521 5.266858 0.033977\n-0.055310 0.055290 6.220314\nLi Co Si O\n4 2 2 8\ndirect\n0.175400 0.175399 0.499999 Li\n0.314579 0.685569 0.738537 Li\n0.685570 0.314580 0.261461 Li\n0.824754 0.824755 0.499999 Li\n0.810949 0.810951 -0.000001 Co\n0.189202 0.189200 0.999999 Co\n0.322342 0.677807 0.256995 Si\n0.677807 0.322343 0.743003 Si\n0.194309 0.805841 0.027433 O\n0.194035 0.806118 0.465768 O\n0.294587 0.365313 0.251423 O\n0.365315 0.294585 0.748575 O\n0.634839 0.705562 0.251423 O\n0.705560 0.634841 0.748575 O\n0.806120 0.194036 0.534230 O\n0.805842 0.194311 0.972566 O\n",
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"formula_full": "Li4 Co2 Si2 O8",
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{
"id": "jvasp-44131",
"created_at": "2022-09-04T14:38:01.629761Z",
"updated_at": "2022-09-04T14:38:01.629778Z",
"structure_string": "Li4 Co4 Si4 O16\n1.0\n5.014000 0.000000 0.000000\n0.000000 6.332896 0.000000\n0.000000 0.000000 10.686587\nLi Co Si O\n4 4 4 16\ndirect\n0.759197 0.014294 0.160281 Li\n0.759197 0.485706 0.660281 Li\n0.259197 0.514295 0.339720 Li\n0.259197 0.985706 0.839720 Li\n0.258867 0.226793 0.585984 Co\n0.258867 0.273207 0.085984 Co\n0.758867 0.726793 0.914016 Co\n0.758867 0.773207 0.414016 Co\n0.763346 0.984050 0.670834 Si\n0.763346 0.515951 0.170834 Si\n0.263345 0.484050 0.829166 Si\n0.263345 0.015951 0.329166 Si\n0.130217 0.799833 0.389289 O\n0.697014 0.771333 0.585437 O\n0.697014 0.728668 0.085437 O\n0.130217 0.700167 0.889289 O\n0.090388 0.488140 0.175796 O\n0.647311 0.546790 0.314574 O\n0.147311 0.453210 0.685427 O\n0.590388 0.988141 0.324204 O\n0.630217 0.299833 0.110711 O\n0.197014 0.271332 0.914564 O\n0.197014 0.228668 0.414563 O\n0.630217 0.200167 0.610712 O\n0.090388 0.011860 0.675797 O\n0.147311 0.046790 0.185427 O\n0.590388 0.511860 0.824204 O\n0.647311 0.953211 0.814574 O\n",
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"volume": 339.3326989466833,
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"formula_full": "Li4 Co4 Si4 O16",
"formula_reduced": "LiCoSiO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 33
},
{
"id": "jvasp-48196",
"created_at": "2022-09-04T14:37:56.765070Z",
"updated_at": "2022-09-04T14:37:56.765082Z",
"structure_string": "Li4 Co4 Si2 O12\n1.0\n0.000000 4.850741 0.000000\n-4.181891 2.425371 0.000000\n0.000000 0.000000 9.660243\nLi Co Si O\n4 4 2 12\ndirect\n0.143747 0.500000 0.750000 Li\n0.356253 0.500000 0.250000 Li\n0.643747 0.500000 0.750000 Li\n0.856253 0.500000 0.250000 Li\n0.664533 0.670934 0.000000 Co\n0.164533 0.670934 0.500000 Co\n0.335467 0.329066 0.000000 Co\n0.835467 0.329066 0.500000 Co\n0.500000 0.000000 0.500000 Si\n0.000000 0.000000 0.000000 Si\n0.187901 0.000000 0.598483 O\n0.312099 0.000000 0.098483 O\n0.182642 0.321075 0.397288 O\n0.996284 0.321075 0.897288 O\n0.496284 0.321075 0.602712 O\n0.503716 0.678925 0.397288 O\n0.003716 0.678925 0.102712 O\n0.817358 0.678925 0.602712 O\n0.317358 0.678925 0.897288 O\n0.687901 0.000000 0.901517 O\n0.682642 0.321075 0.102712 O\n0.812099 0.000000 0.401517 O\n",
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"elements": [
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"volume_molar": 5.364102500922087,
"formula_full": "Li4 Co4 Si2 O12",
"formula_reduced": "Li2Co2SiO6",
"formula_anonymous": "AB2C2D6",
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{
"id": "jvasp-48192",
"created_at": "2022-09-04T14:38:03.649945Z",
"updated_at": "2022-09-04T14:38:03.649971Z",
"structure_string": "Li3 Co3 Si3 O12\n1.0\n2.667442 -4.620146 -0.000000\n2.667442 4.620146 0.000000\n0.000000 0.000000 12.062891\nLi Co Si O\n3 3 3 12\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.000000 0.333333 Li\n0.000000 0.000000 0.666667 Li\n-0.000000 0.500000 0.833333 Co\n0.500000 0.500000 0.166667 Co\n0.500000 -0.000000 0.500000 Co\n-0.000000 0.500000 0.333333 Si\n0.500000 0.500000 0.666667 Si\n0.500000 -0.000000 0.000000 Si\n0.814060 0.608901 0.259130 O\n0.794840 0.608901 0.740870 O\n0.391098 0.185939 0.074204 O\n0.391098 0.205159 0.592463 O\n0.608901 0.794840 0.592463 O\n0.205159 0.814061 0.925796 O\n0.205159 0.391098 0.740870 O\n0.185939 0.391098 0.259130 O\n0.794841 0.185939 0.925796 O\n0.185939 0.794841 0.407537 O\n0.608901 0.814060 0.074204 O\n0.814061 0.205159 0.407537 O\n",
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"elements": [
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],
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"density": 2.646536914480567,
"density_atomic": 0.0706296754558381,
"volume": 297.3254494582869,
"volume_molar": 8.526360515086045,
"formula_full": "Li3 Co3 Si3 O12",
"formula_reduced": "LiCoSiO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 181
},
{
"id": "jvasp-46764",
"created_at": "2022-09-04T14:38:01.885698Z",
"updated_at": "2022-09-04T14:38:01.885728Z",
"structure_string": "Li3 Co2 Si2 O8\n1.0\n0.063540 -5.158264 -0.248357\n5.158166 -0.069312 -0.248358\n0.033647 -0.033685 6.617543\nLi Co Si O\n3 2 2 8\ndirect\n0.573884 0.093552 0.554541 Li\n0.906444 0.426109 0.445460 Li\n0.137381 0.862618 0.499997 Li\n0.812362 0.187637 -0.000001 Co\n0.198534 0.801467 -0.000002 Co\n0.333714 0.326595 0.251660 Si\n0.673407 0.666287 0.748336 Si\n0.190452 0.177540 0.047633 O\n0.651131 0.279755 0.245807 O\n0.230161 0.208682 0.454320 O\n0.720244 0.348867 0.754191 O\n0.242477 0.635231 0.244862 O\n0.791320 0.769838 0.545678 O\n0.364774 0.757528 0.755135 O\n0.822462 0.809548 0.952365 O\n",
"nsites": 15,
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"elements": [
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"formula_full": "Li3 Co2 Si2 O8",
"formula_reduced": "Li3Co2(SiO4)2",
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"spacegroup": 5
},
{
"id": "jvasp-48228",
"created_at": "2022-09-04T14:38:11.226148Z",
"updated_at": "2022-09-04T14:38:11.226186Z",
"structure_string": "Li4 Co4 Si4 O16\n1.0\n0.000000 5.553274 -0.000405\n5.553291 0.000000 0.000000\n0.000000 -0.000580 -7.817569\nLi Co Si O\n4 4 4 16\ndirect\n0.770245 0.000001 0.749999 Li\n0.229754 0.000001 0.250000 Li\n0.000000 0.229754 0.500000 Li\n0.000000 0.770246 0.000000 Li\n0.500000 0.241856 0.500000 Co\n0.758144 0.500001 0.750000 Co\n0.241855 0.500001 0.250000 Co\n0.500000 0.758147 -0.000000 Co\n0.255202 0.744801 0.624999 Si\n0.744798 0.744801 0.375000 Si\n0.255198 0.255203 0.874999 Si\n0.744801 0.255203 0.125000 Si\n0.006901 0.737376 0.739200 O\n0.993098 0.737376 0.260800 O\n0.502272 0.738812 0.753654 O\n0.497728 0.738812 0.246345 O\n0.261189 0.502274 0.003655 O\n0.738810 0.502274 -0.003655 O\n0.261189 0.497729 0.496345 O\n0.262626 0.993098 0.510800 O\n0.497727 0.261191 0.253655 O\n0.502272 0.261191 0.746345 O\n0.993096 0.262627 0.239199 O\n0.006904 0.262627 0.760801 O\n0.737374 0.006904 0.010800 O\n0.737374 0.993098 0.489199 O\n0.738810 0.497729 0.503654 O\n0.262625 0.006904 0.989200 O\n",
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"formula_full": "Li4 Co4 Si4 O16",
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"spacegroup": 91
},
{
"id": "jvasp-42931",
"created_at": "2022-09-04T14:38:11.004336Z",
"updated_at": "2022-09-04T14:38:11.004363Z",
"structure_string": "Li2 Co2 Si4 O12\n1.0\n-5.140398 0.036958 0.016420\n-0.036515 -5.140423 0.017315\n2.461525 2.428307 9.665674\nLi Co Si O\n2 2 4 12\ndirect\n0.111163 0.142439 0.331516 Li\n0.892440 0.361159 0.831517 Li\n0.716996 0.228152 0.505910 Co\n0.978152 0.966995 0.005910 Co\n0.398936 0.016537 0.833551 Si\n0.299927 0.430034 0.661466 Si\n0.180035 0.549922 0.161465 Si\n0.766539 0.648936 0.333550 Si\n0.800658 0.348504 0.361259 O\n0.763570 0.868382 0.475753 O\n0.494976 0.656597 0.213106 O\n0.406602 0.744972 0.713108 O\n0.359451 0.298124 0.510172 O\n0.048126 0.609450 0.010172 O\n0.618379 0.013569 0.975754 O\n0.144627 0.234581 0.163013 O\n0.984585 0.394627 0.663013 O\n0.098503 0.050654 0.861258 O\n0.483107 0.274851 0.775540 O\n0.024856 0.733108 0.275540 O\n",
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"elements": [
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"density_atomic": 0.07817352407645597,
"volume": 255.84109500346204,
"volume_molar": 7.7035554315169055,
"formula_full": "Li2 Co2 Si4 O12",
"formula_reduced": "LiCo(SiO3)2",
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"spacegroup": 9
},
{
"id": "jvasp-48882",
"created_at": "2022-09-04T14:36:14.329607Z",
"updated_at": "2022-09-04T14:36:14.329632Z",
"structure_string": "Li4 Co2 Si2 O8\n1.0\n0.000000 5.345414 -0.009440\n4.963145 0.000000 0.000000\n0.000000 -0.050294 -6.239748\nLi Co Si O\n4 2 2 8\ndirect\n0.339934 0.999260 0.734955 Li\n0.162603 0.497374 0.499765 Li\n0.837397 0.997375 0.500235 Li\n0.660066 0.499259 0.265045 Li\n0.174046 0.499816 0.994414 Co\n0.825954 0.999817 0.005587 Co\n0.328527 0.993532 0.258828 Si\n0.671473 0.493532 0.741172 Si\n0.185659 0.096512 0.029374 O\n0.183495 0.106297 0.467761 O\n0.323274 0.659607 0.249825 O\n0.621623 0.101570 0.250536 O\n0.378377 0.601570 0.749464 O\n0.676726 0.159607 0.750176 O\n0.816505 0.606297 0.532239 O\n0.814341 0.596512 0.970627 O\n",
"nsites": 16,
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],
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"density_atomic": 0.0966514647299257,
"volume": 165.5432749489,
"volume_molar": 6.230780647585361,
"formula_full": "Li4 Co2 Si2 O8",
"formula_reduced": "Li2CoSiO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 2.2634029374999995,
"spacegroup": 4
},
{
"id": "jvasp-48105",
"created_at": "2022-09-04T14:36:08.663446Z",
"updated_at": "2022-09-04T14:36:08.663471Z",
"structure_string": "Li2 Co2 Si2 O8\n1.0\n0.000000 5.227809 -0.126674\n6.241417 0.000000 0.000000\n0.000000 -0.003399 -5.229059\nLi Co Si O\n2 2 2 8\ndirect\n0.316899 0.492046 0.316696 Li\n0.683101 0.992046 0.683304 Li\n0.164169 0.742036 0.835784 Co\n0.835831 0.242036 0.164215 Co\n0.327034 0.992061 0.327026 Si\n0.672966 0.492060 0.672973 Si\n0.185011 0.211245 0.226990 O\n0.227057 0.772878 0.184959 O\n0.292024 0.967959 0.640847 O\n0.359152 0.516160 0.707910 O\n0.640848 0.016159 0.292090 O\n0.707976 0.467958 0.359152 O\n0.772943 0.272878 0.815041 O\n0.814989 0.711245 0.773009 O\n",
"nsites": 14,
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"elements": [
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"volume": 170.62131860530155,
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"formula_full": "Li2 Co2 Si2 O8",
"formula_reduced": "LiCoSiO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 20
},
{
"id": "jvasp-48671",
"created_at": "2022-09-04T14:35:57.225240Z",
"updated_at": "2022-09-04T14:35:57.225253Z",
"structure_string": "Li3 Co2 Si2 O8\n1.0\n5.198678 0.017671 -0.002931\n0.149140 5.197417 0.012974\n0.052951 0.032016 6.316043\nLi Co Si O\n3 2 2 8\ndirect\n0.187530 0.187189 0.248861 Li\n0.685535 0.314402 0.499981 Li\n0.812912 0.812352 0.751164 Li\n0.182351 0.174237 0.758231 Co\n0.825869 0.817548 0.241722 Co\n0.673335 0.326572 0.999995 Si\n0.318946 0.681156 0.500012 Si\n0.799193 0.194407 0.218393 O\n0.805409 0.200651 0.781582 O\n0.364758 0.271022 0.997369 O\n0.287759 0.363172 0.507945 O\n0.729210 0.635032 0.002629 O\n0.637017 0.712082 0.492053 O\n0.186496 0.812044 0.289474 O\n0.188169 0.813657 0.710574 O\n",
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"elements": [
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"formula_full": "Li3 Co2 Si2 O8",
"formula_reduced": "Li3Co2(SiO4)2",
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},
{
"id": "jvasp-47885",
"created_at": "2022-09-04T14:37:06.193566Z",
"updated_at": "2022-09-04T14:37:06.193580Z",
"structure_string": "Li4 Co4 Si4 O16\n1.0\n4.598137 0.000000 0.000000\n0.000000 5.885690 0.000000\n0.000000 0.000000 9.990649\nLi Co Si O\n4 4 4 16\ndirect\n0.019371 0.006527 0.220829 Li\n0.480629 0.006527 0.720829 Li\n0.519371 0.506527 0.279171 Li\n0.980630 0.506527 0.779171 Li\n-0.000002 0.256525 0.500002 Co\n0.500002 0.256525 0.000001 Co\n0.499998 0.756524 -0.000001 Co\n0.000002 0.756524 0.499999 Co\n0.922799 0.006529 0.912504 Si\n0.577202 0.006529 0.412504 Si\n0.422799 0.506529 0.587497 Si\n0.077202 0.506529 0.087497 Si\n0.778321 0.238887 0.852280 O\n0.782653 0.506531 0.581356 O\n0.717348 0.506531 0.081356 O\n0.721680 0.238887 0.352280 O\n0.721680 0.774172 0.352279 O\n0.760515 0.006531 0.561995 O\n0.239486 0.506531 0.438005 O\n0.221679 0.274172 0.147721 O\n0.278321 0.738887 0.647720 O\n0.282652 0.006531 0.918644 O\n0.217348 0.006531 0.418644 O\n0.221679 0.738887 0.147720 O\n0.778321 0.774172 0.852279 O\n0.260515 0.506531 0.938005 O\n0.278321 0.274172 0.647721 O\n0.739486 0.006531 0.061995 O\n",
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"elements": [
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],
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"density_atomic": 0.1035583302348303,
"volume": 270.37902152831947,
"volume_molar": 5.815216164980751,
"formula_full": "Li4 Co4 Si4 O16",
"formula_reduced": "LiCoSiO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.430284785714286,
"spacegroup": 62
}
]
}