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{
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"results": [
{
"id": "jvasp-117127",
"created_at": "2022-09-04T14:38:48.150033Z",
"updated_at": "2022-09-04T14:38:48.150059Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n6.688860 0.000344 3.513959\n6.087900 2.770978 3.513959\n-0.012024 -0.002608 12.443362\nLi Mn Co O\n8 2 4 14\ndirect\n0.000001 -0.000000 0.500000 Li\n0.296058 0.296058 0.058961 Li\n0.573907 0.573904 0.646207 Li\n0.426095 0.426094 0.353793 Li\n0.703944 0.703941 0.941039 Li\n0.871898 0.871896 0.186324 Li\n0.128104 0.128102 0.813676 Li\n0.500000 0.500000 0.000000 Li\n0.356440 0.356438 0.715490 Mn\n0.643562 0.643560 0.284510 Mn\n0.784216 0.784213 0.572530 Co\n0.068331 0.068331 0.142717 Co\n0.931671 0.931668 0.857283 Co\n0.215786 0.215785 0.427470 Co\n0.893558 0.893557 0.021457 O\n0.955763 0.955760 0.681959 O\n0.241571 0.241570 0.258339 O\n0.526226 0.526224 0.822046 O\n0.382208 0.382207 0.546491 O\n0.667533 0.667532 0.121797 O\n0.809292 0.809290 0.406841 O\n0.106444 0.106442 0.978543 O\n0.044239 0.044239 0.318041 O\n0.332469 0.332466 0.878203 O\n0.617794 0.617792 0.453509 O\n0.473776 0.473775 0.177954 O\n0.758431 0.758429 0.741661 O\n0.190710 0.190709 0.593159 O\n",
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],
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"density_atomic": 0.12135380894782578,
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"volume_molar": 4.962465383010044,
"formula_full": "Li8 Mn2 Co4 O14",
"formula_reduced": "Li4MnCo2O7",
"formula_anonymous": "AB2C4D7",
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{
"id": "jvasp-112630",
"created_at": "2022-09-04T14:38:42.308513Z",
"updated_at": "2022-09-04T14:38:42.308537Z",
"structure_string": "Ta1 Nb3 V4 O20\n1.0\n5.614566 -0.000000 0.000000\n0.000000 7.044665 0.012002\n-0.000000 0.005626 12.035649\nTa Nb V O\n1 3 4 20\ndirect\n0.500000 0.838600 0.558825 Ta\n0.500000 0.656871 0.059355 Nb\n-0.000000 0.154738 0.442751 Nb\n-0.000000 0.341915 0.940648 Nb\n0.500000 0.029141 0.844017 V\n0.500000 0.471638 0.346304 V\n-0.000000 0.970712 0.155154 V\n-0.000000 0.529328 0.654101 V\n0.249973 0.500018 0.999465 O\n0.251113 0.656576 0.621633 O\n0.750361 0.842648 0.124739 O\n0.749826 0.157861 0.874169 O\n0.250175 0.157861 0.874169 O\n0.250408 0.345283 0.378529 O\n0.749057 0.999449 0.500744 O\n0.749593 0.345283 0.378529 O\n0.750028 0.500018 0.999465 O\n0.500000 0.523639 0.204001 O\n-0.000000 0.477986 0.795458 O\n-0.000000 0.028243 0.296119 O\n0.748888 0.656576 0.621633 O\n0.500000 0.970209 0.703214 O\n-0.000000 0.319849 0.580738 O\n-0.000000 0.178083 0.077407 O\n0.500000 0.682419 0.421040 O\n0.500000 0.822975 0.922314 O\n0.250944 0.999449 0.500744 O\n0.249640 0.842648 0.124739 O\n",
"nsites": 28,
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"elements": [
"Ta",
"Nb",
"V",
"O"
],
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"density": 3.430385116343126,
"density_atomic": 0.05881828080972455,
"volume": 476.0424754776359,
"volume_molar": 10.23855283951847,
"formula_full": "Ta1 Nb3 V4 O20",
"formula_reduced": "TaNb3V4O20",
"formula_anonymous": "AB3C4D20",
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"spacegroup": 6
},
{
"id": "jvasp-46701",
"created_at": "2022-09-04T14:38:33.313569Z",
"updated_at": "2022-09-04T14:38:33.313596Z",
"structure_string": "Li4 V3 Ni3 Sb2 O16\n1.0\n5.840201 -0.000217 0.001083\n-2.919994 5.087607 0.009213\n-0.001800 -0.074620 9.690303\nLi V Ni Sb O\n4 3 3 2 16\ndirect\n0.339464 0.678955 0.104712 Li\n-0.000520 -0.001023 0.011852 Li\n0.997332 0.994686 0.508706 Li\n0.667668 0.335331 0.595023 Li\n0.173972 0.819939 0.784066 V\n0.645934 0.819928 0.784076 V\n0.825137 0.650301 0.278239 V\n0.343976 0.176164 0.287360 Ni\n0.832167 0.176166 0.287359 Ni\n0.172346 0.344713 0.788642 Ni\n0.329556 0.659129 0.503939 Sb\n0.661432 0.322884 0.011321 Sb\n0.831735 0.663498 0.898008 O\n0.322586 0.151434 0.903599 O\n0.682871 0.365761 0.395009 O\n0.971465 0.499343 0.150989 O\n0.527851 0.499339 0.150986 O\n0.157965 0.315946 0.409557 O\n0.493609 0.529494 0.656979 O\n0.483392 0.966797 0.655037 O\n0.669475 0.827720 0.402578 O\n0.991225 0.982473 0.200352 O\n0.991983 0.983991 0.700263 O\n0.343740 0.687518 0.902062 O\n0.520420 0.040867 0.158267 O\n0.158224 0.827720 0.402581 O\n0.035874 0.529494 0.656980 O\n0.828825 0.151430 0.903600 O\n",
"nsites": 28,
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"elements": [
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"V",
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"O"
],
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"density": 4.937849474931305,
"density_atomic": 0.09724833142973603,
"volume": 287.92267783258154,
"volume_molar": 6.192538906799778,
"formula_full": "Li4 V3 Ni3 Sb2 O16",
"formula_reduced": "Li4V3Ni3(SbO8)2",
"formula_anonymous": "A2B3C3D4E16",
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"spacegroup": 8
},
{
"id": "jvasp-112116",
"created_at": "2022-09-04T14:38:43.064504Z",
"updated_at": "2022-09-04T14:38:43.064525Z",
"structure_string": "Cd1 H14 C9 O4\n1.0\n4.057142 0.196317 0.482377\n1.391549 4.532208 -0.212011\n-0.359528 0.282863 12.759564\nCd H C O\n1 14 9 4\ndirect\n0.493375 0.269030 0.177079 Cd\n0.121124 0.652768 0.537090 H\n0.260485 0.043001 0.841627 H\n0.857174 0.029099 0.897390 H\n0.054587 0.100713 0.660082 H\n0.644127 0.095093 0.713163 H\n0.715554 0.643794 0.592821 H\n0.825645 0.163162 0.472490 H\n0.547240 0.506455 0.899244 H\n0.145418 0.531245 0.966147 H\n0.338303 0.586484 0.721805 H\n0.928025 0.580241 0.774823 H\n0.518932 0.671814 0.421798 H\n0.366528 0.026968 0.367743 H\n0.426463 0.167046 0.538173 H\n0.394635 0.810359 0.033451 C\n0.301533 0.668195 0.937745 C\n0.115941 0.888694 0.859903 C\n0.078276 0.731278 0.757435 C\n0.675134 0.017624 0.497162 C\n0.863660 0.795962 0.574527 C\n0.589758 0.866703 0.399147 C\n0.891021 0.764317 0.312803 C\n0.903804 0.950084 0.677342 C\n0.280156 0.096073 0.045966 O\n0.102350 0.496460 0.313415 O\n0.932704 0.945114 0.244971 O\n0.591643 0.648358 0.096336 O\n",
"nsites": 28,
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"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 2.1339501387616844,
"density_atomic": 0.1204980560043527,
"volume": 232.36889397608678,
"volume_molar": 4.997707813462538,
"formula_full": "Cd1 H14 C9 O4",
"formula_reduced": "CdH14C9O4",
"formula_anonymous": "AB4C9D14",
"energy_above_hull": 4.479605848214286,
"spacegroup": 1
},
{
"id": "jvasp-111907",
"created_at": "2022-09-04T14:38:42.618043Z",
"updated_at": "2022-09-04T14:38:42.618062Z",
"structure_string": "Li6 Cr2 P4 O16\n1.0\n5.073254 0.011147 0.648598\n2.908783 4.156562 0.648598\n0.079387 0.041451 12.985127\nLi Cr P O\n6 2 4 16\ndirect\n0.630933 0.702756 0.348810 Li\n0.054999 0.945001 0.750000 Li\n0.945001 0.054999 0.250000 Li\n0.702756 0.630934 0.848810 Li\n0.297244 0.369067 0.151191 Li\n0.369066 0.297244 0.651191 Li\n0.000000 0.000000 0.000000 Cr\n0.000000 -0.000000 0.500000 Cr\n0.363218 0.317969 0.887346 P\n0.636781 0.682031 0.112655 P\n0.317969 0.363218 0.387346 P\n0.682031 0.636782 0.612655 P\n0.182173 0.498816 0.788516 O\n0.972207 0.662540 0.583742 O\n0.498816 0.182173 0.288516 O\n0.662539 0.972208 0.083742 O\n0.337460 0.027792 0.916258 O\n0.817826 0.501184 0.211484 O\n0.027792 0.337460 0.416258 O\n0.733954 0.175636 0.869299 O\n0.451525 0.776670 0.524858 O\n0.824364 0.266046 0.630701 O\n0.776669 0.451526 0.024858 O\n0.266046 0.824364 0.130701 O\n0.548474 0.223330 0.475143 O\n0.501184 0.817827 0.711484 O\n0.175636 0.733954 0.369299 O\n0.223330 0.548474 0.975143 O\n",
"nsites": 28,
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"elements": [
"Li",
"Cr",
"P",
"O"
],
"chemical_system": "Cr-Li-O-P",
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"density_atomic": 0.10251583817143449,
"volume": 273.1285282297195,
"volume_molar": 5.87435158061073,
"formula_full": "Li6 Cr2 P4 O16",
"formula_reduced": "Li3Cr(PO4)2",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.663221885714286,
"spacegroup": 15
},
{
"id": "jvasp-117279",
"created_at": "2022-09-04T14:38:47.256472Z",
"updated_at": "2022-09-04T14:38:47.256494Z",
"structure_string": "Li4 Ni6 Sn2 O16\n1.0\n5.806654 0.000000 0.000000\n-2.903327 5.028710 0.000000\n-0.000000 -0.000000 9.476511\nLi Ni Sn O\n4 6 2 16\ndirect\n0.333333 0.666667 0.893032 Li\n0.000000 0.000000 0.995125 Li\n0.000000 0.000000 0.495125 Li\n0.666666 0.333333 0.393032 Li\n0.830307 0.660617 0.715004 Ni\n0.339383 0.169692 0.715004 Ni\n0.830307 0.169692 0.715004 Ni\n0.169692 0.339383 0.215004 Ni\n0.169692 0.830308 0.215004 Ni\n0.660616 0.830308 0.215004 Ni\n0.333333 0.666667 0.493425 Sn\n0.666666 0.333333 0.993425 Sn\n0.312689 0.156344 0.102418 O\n0.843655 0.687311 0.102418 O\n0.666666 0.333333 0.611160 O\n0.515582 0.031165 0.833308 O\n0.515582 0.484417 0.833308 O\n0.687310 0.843656 0.602418 O\n0.484417 0.515583 0.333308 O\n0.031165 0.515583 0.333308 O\n0.156344 0.312689 0.602418 O\n0.000000 0.000000 0.806256 O\n0.000000 0.000000 0.306256 O\n0.333333 0.666667 0.111160 O\n0.968834 0.484417 0.833308 O\n0.156344 0.843656 0.602418 O\n0.484417 0.968835 0.333308 O\n0.843655 0.156344 0.102418 O\n",
"nsites": 28,
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"elements": [
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"Sn",
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],
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"density": 5.240815280712898,
"density_atomic": 0.1011875360054959,
"volume": 276.71392253764543,
"volume_molar": 5.951464970619419,
"formula_full": "Li4 Ni6 Sn2 O16",
"formula_reduced": "Li2Ni3SnO8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.033890492857143,
"spacegroup": 186
},
{
"id": "jvasp-117093",
"created_at": "2022-09-04T14:38:46.578596Z",
"updated_at": "2022-09-04T14:38:46.578623Z",
"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",
"nsites": 28,
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"density_atomic": 0.0826868282285191,
"volume": 338.6270897054757,
"volume_molar": 7.283071426269721,
"formula_full": "Li4 Co4 Si4 O16",
"formula_reduced": "LiCoSiO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 7
},
{
"id": "jvasp-119053",
"created_at": "2022-09-04T14:38:33.438428Z",
"updated_at": "2022-09-04T14:38:33.438450Z",
"structure_string": "K4 Hg24\n1.0\n5.434751 0.000000 0.000000\n0.000000 10.710299 0.000000\n-0.000000 -0.000000 14.312466\nK Hg\n4 24\ndirect\n0.250000 0.147308 0.825130 K\n0.250000 0.352692 0.325130 K\n0.750000 0.852692 0.174870 K\n0.750000 0.647308 0.674870 K\n0.250000 0.597584 0.493208 Hg\n0.250000 0.902416 -0.006792 Hg\n0.750000 0.006627 0.638467 Hg\n0.750000 0.493373 0.138467 Hg\n0.250000 -0.006627 0.361533 Hg\n0.250000 0.506627 0.861533 Hg\n0.750000 0.282041 0.706262 Hg\n0.750000 0.217959 0.206262 Hg\n0.250000 0.717959 0.293738 Hg\n0.250000 0.782041 0.793738 Hg\n0.750000 0.917132 0.843755 Hg\n0.250000 0.082868 0.156246 Hg\n0.750000 0.097584 0.006792 Hg\n0.250000 0.417132 0.656246 Hg\n0.750000 0.357284 0.917963 Hg\n0.750000 0.142716 0.417963 Hg\n0.250000 0.642717 0.082037 Hg\n0.250000 0.857284 0.582038 Hg\n0.750000 0.654630 0.944079 Hg\n0.750000 0.845370 0.444079 Hg\n0.250000 0.345370 0.055921 Hg\n0.250000 0.154630 0.555921 Hg\n0.750000 0.582868 0.343754 Hg\n0.750000 0.402416 0.506792 Hg\n",
"nsites": 28,
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"elements": [
"K",
"Hg"
],
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"density": 9.907363774823796,
"density_atomic": 0.03360952053642045,
"volume": 833.0972758048787,
"volume_molar": 17.917960934534005,
"formula_full": "K4 Hg24",
"formula_reduced": "KHg6",
"formula_anonymous": "AB6",
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"spacegroup": 62
},
{
"id": "jvasp-57259",
"created_at": "2022-09-04T14:38:33.444139Z",
"updated_at": "2022-09-04T14:38:33.444161Z",
"structure_string": "V4 Cd4 Ag4 O16\n1.0\n5.496344 0.000000 0.000000\n-0.000000 7.004749 0.000000\n0.000000 0.000000 9.955601\nV Cd Ag O\n4 4 4 16\ndirect\n0.990268 0.750000 0.678530 V\n0.490269 0.250000 0.821470 V\n0.009731 0.250000 0.321470 V\n0.509730 0.750000 0.178530 V\n0.500000 0.500000 0.500000 Cd\n0.000000 0.500000 0.000000 Cd\n0.500000 0.000000 0.500000 Cd\n0.000000 0.000000 0.000000 Cd\n0.505545 0.750000 0.847750 Ag\n0.005545 0.250000 0.652250 Ag\n0.494454 0.250000 0.152250 Ag\n0.994454 0.750000 0.347750 Ag\n0.652645 0.550774 0.116705 O\n0.152646 0.449226 0.383295 O\n0.652645 0.949226 0.116705 O\n0.152646 0.050774 0.383295 O\n0.347354 0.449226 0.883295 O\n0.847354 0.550774 0.616705 O\n0.203277 0.750000 0.126904 O\n0.439481 0.250000 0.643805 O\n0.796722 0.250000 0.873096 O\n0.296722 0.750000 0.626904 O\n0.560518 0.750000 0.356195 O\n0.060518 0.250000 0.143805 O\n0.847354 0.949226 0.616705 O\n0.939481 0.750000 0.856195 O\n0.703277 0.250000 0.373096 O\n0.347354 0.050774 0.883295 O\n",
"nsites": 28,
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"elements": [
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],
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"density": 5.809019594754694,
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"volume": 383.29571722695823,
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"formula_full": "V4 Cd4 Ag4 O16",
"formula_reduced": "VCdAgO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 62
},
{
"id": "jvasp-116872",
"created_at": "2022-09-04T14:38:47.384103Z",
"updated_at": "2022-09-04T14:38:47.384125Z",
"structure_string": "Li14 Ni2 O8 F4\n1.0\n5.161663 -0.026955 0.859308\n-3.056925 5.016728 0.912958\n-0.106765 0.420393 10.000787\nLi Ni O F\n14 2 8 4\ndirect\n0.130647 0.087074 0.206434 Li\n0.875392 0.883145 0.732614 Li\n0.979377 0.547482 0.285422 Li\n0.549158 0.044365 0.614960 Li\n0.486959 0.478970 0.925790 Li\n0.676848 0.701000 0.420002 Li\n0.709048 0.200840 0.085136 Li\n0.634840 0.147963 0.847423 Li\n0.212610 0.705122 0.982087 Li\n0.197865 0.192687 0.444365 Li\n0.596840 0.672763 0.141598 Li\n0.512574 0.017477 0.388543 Li\n0.112598 0.602053 0.752695 Li\n0.384826 0.381948 0.644536 Li\n0.064948 0.052170 0.925747 Ni\n0.021711 0.536074 0.512869 Ni\n0.965368 0.213574 0.614588 O\n0.660372 0.834856 0.933300 O\n0.633947 0.347979 0.466191 O\n0.058888 0.355986 0.925524 O\n0.232993 0.935323 0.799565 O\n0.351135 0.114512 0.023690 O\n0.103239 0.855932 0.386169 O\n0.390806 0.720503 0.559368 O\n0.702375 -0.062475 0.237781 F\n0.221467 0.397469 0.260914 F\n0.831531 0.520146 0.134862 F\n0.701637 0.515072 0.747837 F\n",
"nsites": 28,
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"F"
],
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{
"id": "jvasp-27047",
"created_at": "2022-09-04T14:38:33.559461Z",
"updated_at": "2022-09-04T14:38:33.559487Z",
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{
"id": "jvasp-112771",
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