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{
"id": "jvasp-113081",
"created_at": "2022-09-04T14:38:45.018748Z",
"updated_at": "2022-09-04T14:38:45.018771Z",
"structure_string": "Mn2 Cr2 Co2 O8\n1.0\n5.099494 0.029569 -2.864467\n-1.729662 4.783575 -2.887310\n-0.005482 -0.029569 5.848930\nMn Cr Co O\n2 2 2 8\ndirect\n0.123946 0.873946 0.250001 Mn\n0.876054 0.126055 0.750000 Mn\n0.500000 0.500001 0.000000 Cr\n0.000001 0.500000 0.500000 Cr\n0.500000 0.500000 0.500000 Co\n0.500000 0.000000 -0.000000 Co\n0.737023 0.262141 0.025117 O\n0.737023 0.711907 0.474883 O\n0.728362 0.259779 0.468584 O\n0.291195 0.259779 0.031416 O\n0.262978 0.737860 0.974883 O\n0.262977 0.288094 0.525117 O\n0.271638 0.740222 0.531417 O\n0.708805 0.740222 0.968584 O\n",
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{
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"structure_string": "Li1 Fe1 F4\n1.0\n4.564446 0.025711 0.209959\n-4.580711 2.899736 -0.220330\n0.048745 0.016450 4.570287\nLi Fe F\n1 1 4\ndirect\n0.505671 0.499053 0.004115 Li\n0.505716 0.999031 0.504177 Fe\n0.212969 0.999032 0.797210 F\n0.188709 0.499043 0.686867 F\n0.798491 0.999043 0.211165 F\n0.822725 0.499020 0.321501 F\n",
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{
"id": "jvasp-48144",
"created_at": "2022-09-04T14:37:04.524225Z",
"updated_at": "2022-09-04T14:37:04.524258Z",
"structure_string": "Li3 P2 W1 O8\n1.0\n5.026553 -0.010643 -0.017046\n-1.962762 -4.629093 0.002664\n-0.020720 0.009361 -6.111829\nLi P W O\n3 2 1 8\ndirect\n0.169030 0.338927 0.277007 Li\n0.502524 0.004567 0.499789 Li\n0.836058 0.670255 0.722573 Li\n0.151849 0.355148 0.761272 P\n0.853301 0.654084 0.238302 P\n0.502574 0.004617 0.999787 W\n0.745508 0.761571 0.436995 O\n0.755067 0.752118 0.022368 O\n0.257968 0.694540 0.760373 O\n0.812328 0.248706 0.760211 O\n0.192827 0.760533 0.239369 O\n0.747185 0.314695 0.239189 O\n0.250095 0.257131 0.977204 O\n0.259641 0.247661 0.562580 O\n",
"nsites": 14,
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"density_atomic": 0.09835476009111496,
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"formula_full": "Li3 P2 W1 O8",
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{
"id": "jvasp-85498",
"created_at": "2022-09-04T14:36:21.441261Z",
"updated_at": "2022-09-04T14:36:21.441282Z",
"structure_string": "La2 H6 O6\n1.0\n6.540951 0.000117 0.000000\n-3.270374 5.664503 0.000000\n0.000000 0.000000 3.841752\nLa H O\n2 6 6\ndirect\n0.333334 0.666669 0.250000 La\n0.666667 0.333331 0.750000 La\n0.865720 0.727262 0.250000 H\n0.861544 0.134269 0.250000 H\n0.272747 0.138470 0.250000 H\n0.134281 0.272738 0.750000 H\n0.138456 0.865731 0.750000 H\n0.727253 0.861530 0.750000 H\n0.918221 0.611261 0.250000 O\n0.693049 0.081772 0.250000 O\n0.388743 0.306969 0.250000 O\n0.081779 0.388739 0.750000 O\n0.306952 0.918228 0.750000 O\n0.611257 0.693031 0.750000 O\n",
"nsites": 14,
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"elements": [
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"volume": 142.34313214989783,
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"formula_full": "La2 H6 O6",
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"spacegroup": 176
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{
"id": "jvasp-106050",
"created_at": "2022-09-04T14:35:52.750105Z",
"updated_at": "2022-09-04T14:35:52.750121Z",
"structure_string": "Li1 Cu3 O3\n1.0\n2.863173 0.000000 -0.000000\n0.000000 2.863173 0.000000\n-0.000000 0.000000 8.683250\nLi Cu O\n1 3 3\ndirect\n0.500000 0.500000 0.755036 Li\n0.000000 0.000000 0.988786 Cu\n0.500000 0.500000 0.237912 Cu\n0.000000 0.000000 0.529139 Cu\n0.000000 0.000000 0.781464 O\n0.000000 0.000000 0.206117 O\n0.500000 0.500000 0.501546 O\n",
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"spacegroup": 99
},
{
"id": "jvasp-36634",
"created_at": "2022-09-04T14:37:12.032644Z",
"updated_at": "2022-09-04T14:37:12.032664Z",
"structure_string": "Mn1 Zn1 O3\n1.0\n3.704675 0.000000 0.000000\n0.000000 3.704675 0.000000\n-0.000000 0.000000 3.704675\nMn Zn O\n1 1 3\ndirect\n0.499999 0.499999 0.499999 Mn\n0.000000 0.000000 0.000000 Zn\n0.499999 0.499999 0.000000 O\n0.499999 0.000000 0.499999 O\n0.000000 0.499999 0.499999 O\n",
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"spacegroup": 221
},
{
"id": "jvasp-44414",
"created_at": "2022-09-04T14:37:07.817613Z",
"updated_at": "2022-09-04T14:37:07.817639Z",
"structure_string": "Li4 Mn6 W2 O16\n1.0\n5.818817 -0.025088 0.090496\n-2.931135 5.076875 -0.180993\n0.150630 -0.260898 9.672049\nLi Mn W O\n4 6 2 16\ndirect\n0.342088 0.656089 0.907028 Li\n0.019168 0.015594 0.989711 Li\n-0.019168 -0.003573 0.489711 Li\n0.657912 0.314001 0.407028 Li\n0.837036 0.659869 0.715508 Mn\n0.336648 0.166436 0.711015 Mn\n0.828063 0.169598 0.714806 Mn\n0.171937 0.341535 0.214806 Mn\n0.162964 0.822833 0.215508 Mn\n0.663352 0.829790 0.211015 Mn\n0.322442 0.646498 0.485337 W\n0.677558 0.324057 0.985337 W\n0.363542 0.211364 0.091838 O\n0.848958 0.683795 0.085418 O\n0.663701 0.325383 0.612193 O\n0.532523 0.025545 0.852382 O\n0.528331 0.477566 0.843910 O\n0.636458 0.847823 0.591839 O\n0.467477 0.493022 0.352382 O\n0.022541 0.500402 0.347526 O\n0.140782 0.346847 0.593882 O\n-0.001130 0.007508 0.803369 O\n0.001130 0.008638 0.303369 O\n0.336299 0.661683 0.112193 O\n0.977459 0.477860 0.847526 O\n0.151042 0.834837 0.585418 O\n0.471669 0.949236 0.343910 O\n0.859218 0.206066 0.093882 O\n",
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"density_atomic": 0.09833511624938021,
"volume": 284.7405999804925,
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"formula_full": "Li4 Mn6 W2 O16",
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{
"id": "jvasp-16833",
"created_at": "2022-09-04T14:38:29.695272Z",
"updated_at": "2022-09-04T14:38:29.695301Z",
"structure_string": "Pr1 B6\n1.0\n4.144429 -0.000000 0.000000\n0.000000 4.144429 -0.000000\n-0.000000 -0.000000 4.144429\nPr B\n1 6\ndirect\n0.000000 0.000000 0.000000 Pr\n0.800206 0.500000 0.500000 B\n0.199795 0.500000 0.500000 B\n0.500000 0.500000 0.800206 B\n0.500000 0.500000 0.199795 B\n0.500000 0.199795 0.500000 B\n0.500000 0.800206 0.500000 B\n",
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"volume": 71.18592158330866,
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"formula_full": "Pr1 B6",
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"spacegroup": 221
},
{
"id": "jvasp-46198",
"created_at": "2022-09-04T14:38:09.891836Z",
"updated_at": "2022-09-04T14:38:09.891853Z",
"structure_string": "Li4 Fe2 Ni2 P4 O16\n1.0\n0.000000 4.706110 -0.000691\n5.959381 0.000000 0.000000\n0.000000 -0.083885 -10.152907\nLi Fe Ni P O\n4 2 2 4 16\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.000000 0.500000 Li\n0.500000 0.500000 0.500000 Li\n0.022280 0.750000 0.277880 Fe\n0.977719 0.250000 0.722120 Fe\n0.525165 0.250000 0.221665 Ni\n0.474834 0.750000 0.778335 Ni\n0.417178 0.250000 0.908290 P\n0.921433 0.750000 0.595589 P\n0.078566 0.250000 0.404411 P\n0.582821 0.750000 0.091710 P\n0.276615 0.044651 0.835640 O\n0.276615 0.455349 0.835640 O\n0.787674 0.541440 0.666254 O\n0.787674 0.958560 0.666254 O\n0.247323 0.750000 0.596553 O\n0.207847 0.250000 0.545983 O\n0.792152 0.750000 0.454017 O\n0.257204 0.750000 0.095567 O\n0.212325 0.041440 0.333746 O\n0.212325 0.458560 0.333746 O\n0.723384 0.544651 0.164360 O\n0.723384 0.955349 0.164360 O\n0.742795 0.250000 0.904433 O\n0.295417 0.250000 0.049818 O\n0.752676 0.250000 0.403447 O\n0.704582 0.750000 0.950182 O\n",
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{
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"created_at": "2022-09-04T14:38:04.293983Z",
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"structure_string": "Li4 V2 C4 O12\n1.0\n0.000000 4.867408 -0.037985\n5.679691 0.000000 0.000000\n0.000000 -0.368057 -8.090020\nLi V C O\n4 2 4 12\ndirect\n0.231965 0.263952 0.547509 Li\n0.768035 0.763952 0.452492 Li\n0.731965 0.236051 0.047508 Li\n0.268035 0.736050 0.952492 Li\n0.250001 -0.000002 0.249997 V\n0.749999 0.499998 0.750003 V\n0.254073 0.209469 0.883844 C\n0.745926 0.709469 0.116156 C\n0.754073 0.290535 0.383845 C\n0.245927 0.790534 0.616155 C\n0.005522 0.751536 0.116986 O\n-0.005523 0.251536 0.883014 O\n0.899640 0.225995 0.261155 O\n0.874069 0.402690 0.508306 O\n0.625933 0.597312 0.991695 O\n0.374067 0.097312 0.008305 O\n0.505521 0.748466 0.616987 O\n0.494479 0.248467 0.383014 O\n0.399639 0.274007 0.761156 O\n0.100360 0.725995 0.738846 O\n0.600361 0.774006 0.238845 O\n0.125931 0.902690 0.491695 O\n",
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{
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"created_at": "2022-09-04T14:38:02.501857Z",
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"structure_string": "Li4 Ni4 P4 O16\n1.0\n4.251485 -0.000000 0.000000\n-0.000000 4.760196 0.000000\n0.000000 0.000000 14.071309\nLi Ni P O\n4 4 4 16\ndirect\n0.000000 0.250000 0.249588 Li\n0.000000 0.750001 0.750412 Li\n0.499999 0.750001 0.250412 Li\n0.499999 0.250000 0.749588 Li\n0.000000 0.750001 0.063033 Ni\n0.000000 0.250000 0.936967 Ni\n0.499999 0.250000 0.436967 Ni\n0.499999 0.750001 0.563033 Ni\n0.499999 0.250000 0.110501 P\n0.499999 0.750001 0.889499 P\n0.000000 0.250000 0.610501 P\n0.000000 0.750001 0.389499 P\n0.257921 0.587901 0.951516 O\n0.257921 0.087901 0.048484 O\n0.242079 0.587901 0.451516 O\n0.242079 0.087901 0.548484 O\n0.313931 0.966409 0.828672 O\n0.313931 0.466408 0.171328 O\n0.686068 0.533593 0.828672 O\n0.813930 0.033592 0.671328 O\n0.757920 0.412100 0.548484 O\n0.757920 0.912100 0.451516 O\n0.742078 0.912100 0.951516 O\n0.742078 0.412100 0.048484 O\n0.186069 0.966409 0.328672 O\n0.813930 0.533593 0.328672 O\n0.686068 0.033592 0.171328 O\n0.186069 0.466408 0.671328 O\n",
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"formula_full": "Li4 Ni4 P4 O16",
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{
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"created_at": "2022-09-04T14:36:19.843970Z",
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"structure_string": "Be2 Fe1 Ru1\n1.0\n-1.930194 1.930194 2.730006\n1.930194 -1.930194 2.730006\n1.930194 1.930194 -2.730006\nBe Fe Ru\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.500001 0.500001 0.000000 Be\n0.250000 0.749999 0.499999 Fe\n0.749999 0.250000 0.499999 Ru\n",
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}
]
}