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{
"id": "mp-553910",
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"structure_string": "K4 V16 Ag44 O64\n1.0\n10.535046 0.000000 0.000000\n0.000000 10.777930 0.000000\n0.000000 0.000000 17.224430\nK V Ag O\n4 16 44 64\ndirect\n0.500000 0.000000 0.500000 K\n0.500000 0.500000 0.000000 K\n0.000000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 K\n0.258095 0.234137 0.001930 V\n0.741905 0.265863 0.501930 V\n0.499308 0.982480 0.264572 V\n0.999308 0.517520 0.264572 V\n0.741905 0.765863 0.998070 V\n0.000692 0.482480 0.735428 V\n0.000692 0.982480 0.764572 V\n0.999308 0.017520 0.235428 V\n0.499308 0.482480 0.235428 V\n0.500692 0.017520 0.735428 V\n0.241905 0.234137 0.501930 V\n0.258095 0.734137 0.498070 V\n0.241905 0.734137 0.998070 V\n0.758095 0.765863 0.498070 V\n0.758095 0.265863 0.001930 V\n0.500692 0.517520 0.764572 V\n0.524693 0.723879 0.635825 Ag\n0.214602 0.474305 0.878802 Ag\n0.531286 0.209769 0.134387 Ag\n0.213338 0.989463 0.376941 Ag\n0.785398 0.025695 0.378802 Ag\n0.475307 0.776121 0.135825 Ag\n0.975307 0.723879 0.135825 Ag\n0.713338 0.510537 0.376941 Ag\n0.285398 0.974305 0.121198 Ag\n0.524693 0.223879 0.864175 Ag\n0.247875 0.760340 0.754889 Ag\n0.713338 0.010537 0.123059 Ag\n0.752125 0.239660 0.245111 Ag\n0.285398 0.474305 0.378802 Ag\n0.975307 0.223879 0.364175 Ag\n0.531286 0.709769 0.365613 Ag\n0.024693 0.276121 0.864175 Ag\n0.714602 0.025695 0.878802 Ag\n0.968714 0.209769 0.634387 Ag\n0.031286 0.290231 0.134387 Ag\n0.024693 0.776121 0.635825 Ag\n0.786662 0.010537 0.623059 Ag\n0.475307 0.276121 0.364175 Ag\n0.752125 0.739660 0.254889 Ag\n0.785398 0.525695 0.121198 Ag\n0.000000 0.000000 0.500000 Ag\n0.747875 0.739660 0.754889 Ag\n0.786662 0.510537 0.876941 Ag\n0.468714 0.790231 0.865613 Ag\n0.500000 0.000000 0.000000 Ag\n0.031286 0.790231 0.365613 Ag\n0.252125 0.760340 0.254889 Ag\n0.468714 0.290231 0.634387 Ag\n0.968714 0.709769 0.865613 Ag\n0.714602 0.525695 0.621198 Ag\n0.252125 0.260340 0.245111 Ag\n0.286662 0.989463 0.876941 Ag\n0.500000 0.500000 0.500000 Ag\n0.213338 0.489463 0.123059 Ag\n0.286662 0.489463 0.623059 Ag\n0.214602 0.974305 0.621198 Ag\n0.247875 0.260340 0.745111 Ag\n0.747875 0.239660 0.745111 Ag\n0.000000 0.500000 0.000000 Ag\n0.319063 0.675519 0.916044 O\n0.259213 0.897145 0.497507 O\n0.418375 0.182702 0.000733 O\n0.392008 0.887806 0.315614 O\n0.081401 0.926085 0.170923 O\n0.581625 0.817298 0.999267 O\n0.081625 0.682702 0.999267 O\n0.088088 0.582621 0.797700 O\n0.418599 0.426085 0.829077 O\n0.392008 0.387806 0.184386 O\n0.259213 0.397145 0.002493 O\n0.819063 0.824481 0.916044 O\n0.107363 0.616194 0.211112 O\n0.179449 0.176432 0.919897 O\n0.918375 0.317298 0.000733 O\n0.581625 0.317298 0.500733 O\n0.740787 0.102855 0.502493 O\n0.911912 0.917379 0.297700 O\n0.320551 0.676432 0.080103 O\n0.240787 0.397145 0.502493 O\n0.180937 0.675519 0.416044 O\n0.107363 0.116194 0.288888 O\n0.107992 0.387806 0.684386 O\n0.607363 0.383806 0.288888 O\n0.820551 0.823568 0.080103 O\n0.918599 0.073915 0.829077 O\n0.588088 0.417379 0.702300 O\n0.320551 0.176432 0.419897 O\n0.418599 0.926085 0.670923 O\n0.319063 0.175519 0.583956 O\n0.581401 0.573915 0.170923 O\n0.392637 0.616194 0.711112 O\n0.918375 0.817298 0.499267 O\n0.819063 0.324481 0.583956 O\n0.759213 0.102855 0.002493 O\n0.581401 0.073915 0.329077 O\n0.680937 0.324481 0.083956 O\n0.759213 0.602855 0.497507 O\n0.588088 0.917379 0.797700 O\n0.607992 0.612194 0.815614 O\n0.418375 0.682702 0.499267 O\n0.088088 0.082621 0.702300 O\n0.892008 0.612194 0.315614 O\n0.911912 0.417379 0.202300 O\n0.411912 0.582621 0.297700 O\n0.607363 0.883806 0.211112 O\n0.081625 0.182702 0.500733 O\n0.679449 0.323568 0.919897 O\n0.892637 0.883806 0.711112 O\n0.680937 0.824481 0.416044 O\n0.392637 0.116194 0.788888 O\n0.179449 0.676432 0.580103 O\n0.180937 0.175519 0.083956 O\n0.240787 0.897145 0.997507 O\n0.892008 0.112194 0.184386 O\n0.918599 0.573915 0.670923 O\n0.740787 0.602855 0.997507 O\n0.081401 0.426085 0.329077 O\n0.892637 0.383806 0.788888 O\n0.820551 0.323568 0.419897 O\n0.679449 0.823568 0.580103 O\n0.411912 0.082621 0.202300 O\n0.607992 0.112194 0.684386 O\n0.107992 0.887806 0.815614 O\n",
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"elements": [
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],
"chemical_system": "Ag-K-O-V",
"density": 5.72396127905017,
"density_atomic": 0.06544753828902153,
"volume": 1955.7649278532347,
"volume_molar": 9.201477882033924,
"formula_full": "K4 V16 Ag44 O64",
"formula_reduced": "KV4Ag11O16",
"formula_anonymous": "AB4C11D16",
"energy": -761.5606408,
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"updated_at": "2021-11-28T01:35:33.631000Z",
"spacegroup": 61
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{
"id": "mp-672160",
"created_at": "2022-09-04T14:42:03.058612Z",
"structure_string": "K4 V2 Cu2 Se8\n1.0\n0.000000 6.780415 11.940279\n2.823619 0.000000 11.940279\n2.823619 6.780415 0.000000\nK V Cu Se\n4 2 2 8\ndirect\n0.819673 0.816266 0.182489 K\n0.174483 0.183239 0.819518 K\n0.430687 0.429957 0.076158 K\n0.071038 0.071710 0.423830 K\n0.007210 0.995181 0.998175 V\n0.251955 0.244677 0.246007 V\n0.502516 0.500332 0.492877 Cu\n0.740901 0.756776 0.757329 Cu\n0.176288 0.434321 0.519320 Se\n0.867627 0.519166 0.439458 Se\n0.527557 0.856619 0.168817 Se\n0.449520 0.163914 0.854960 Se\n0.080241 0.803621 0.722174 Se\n0.390105 0.726536 0.808348 Se\n0.721532 0.389321 0.085036 Se\n0.819150 0.070112 0.384866 Se\n",
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"elements": [
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],
"chemical_system": "Cu-K-Se-V",
"density": 3.693888575473212,
"density_atomic": 0.0349955755661421,
"volume": 457.20065297282474,
"volume_molar": 17.208291798539147,
"formula_full": "K4 V2 Cu2 Se8",
"formula_reduced": "K2VCuSe4",
"formula_anonymous": "ABC2D4",
"energy": -76.80385068999999,
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"updated_at": "2021-11-28T01:35:33.662000Z",
"spacegroup": 1
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{
"id": "mp-567883",
"created_at": "2022-09-04T14:42:03.062893Z",
"structure_string": "Ti8 Co2 Bi4\n1.0\n-5.297977 5.297977 2.434917\n5.297977 -5.297977 2.434917\n5.297977 5.297977 -2.434917\nTi Co Bi\n8 2 4\ndirect\n0.692845 0.580392 0.273237 Ti\n0.580392 0.307155 0.887548 Ti\n0.080392 0.192845 0.273237 Ti\n0.919608 0.807155 0.726763 Ti\n0.192845 0.919608 0.112452 Ti\n0.807155 0.080392 0.887548 Ti\n0.307155 0.419608 0.726763 Ti\n0.419608 0.692845 0.112452 Ti\n0.250000 0.250000 0.000000 Co\n0.750000 0.750000 0.000000 Co\n0.139165 0.639165 0.778331 Bi\n0.360835 0.139165 0.500000 Bi\n0.639165 0.860835 0.500000 Bi\n0.860835 0.360835 0.221669 Bi\n",
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"elements": [
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],
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"density_atomic": 0.05121105765783925,
"volume": 273.37845848721537,
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"formula_full": "Ti8 Co2 Bi4",
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{
"id": "mp-1174751",
"created_at": "2022-09-04T14:42:03.062696Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n3.029203 0.000000 0.000000\n0.903020 7.743263 0.000000\n1.280246 1.884255 10.914661\nLi Mn Co O\n8 2 4 14\ndirect\n0.779396 0.360577 0.078053 Li\n0.930279 0.786598 0.354123 Li\n0.071088 0.213370 0.640235 Li\n0.215926 0.642480 0.928811 Li\n0.353433 0.071195 0.218966 Li\n0.503953 0.495989 0.496701 Li\n0.647078 0.928633 0.783221 Li\n0.143605 0.427215 0.286290 Li\n0.003015 0.995931 0.002760 Mn\n0.424502 0.289979 0.856274 Mn\n0.286480 0.857407 0.568918 Co\n0.581598 0.699541 0.149095 Co\n0.713756 0.154873 0.424700 Co\n0.849691 0.574732 0.711399 Co\n0.366929 0.178120 0.030401 O\n0.531268 0.619784 0.306145 O\n0.696997 0.035737 0.591841 O\n0.800292 0.466430 0.880930 O\n0.949018 0.883610 0.171783 O\n0.099951 0.307089 0.461160 O\n0.213303 0.749352 0.739095 O\n0.196433 0.548221 0.111012 O\n0.345911 0.969424 0.402123 O\n0.483897 0.401873 0.685562 O\n0.626384 0.817934 0.979567 O\n0.754308 0.234692 0.267712 O\n0.865152 0.683021 0.544040 O\n0.066355 0.106194 0.829084 O\n",
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"density": 4.054672071878619,
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"volume": 256.0133662296232,
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"formula_full": "Li8 Mn2 Co4 O14",
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{
"id": "mp-24664",
"created_at": "2022-09-04T14:42:03.071123Z",
"structure_string": "Zn2 H16 C4 N8 Cl4 O4\n1.0\n6.394967 0.000000 0.000000\n-2.775760 -6.383046 0.000000\n-2.880657 0.936836 -11.587318\nZn H C N Cl O\n2 16 4 8 4 4\ndirect\n0.523059 0.336620 0.749051 Zn\n0.476941 0.663380 0.250949 Zn\n0.764968 0.016441 0.592738 H\n0.235032 0.983559 0.407262 H\n0.731831 0.754414 0.577190 H\n0.268169 0.245586 0.422810 H\n0.067611 0.680650 0.643313 H\n0.932389 0.319350 0.356687 H\n0.333033 0.877352 0.718871 H\n0.666967 0.122648 0.281129 H\n0.166585 0.347285 0.952156 H\n0.010526 0.669668 0.186027 H\n0.689344 0.052867 0.071784 H\n0.310656 0.947133 0.928216 H\n0.999070 0.173445 0.095202 H\n0.989474 0.330332 0.813973 H\n0.000930 0.826555 0.904798 H\n0.833415 0.652715 0.047844 H\n0.066032 0.974695 0.656618 C\n0.190963 0.804410 0.065212 C\n0.809037 0.195590 0.934788 C\n0.933968 0.025305 0.343382 C\n0.835819 0.907779 0.603867 N\n0.164181 0.092221 0.396133 N\n0.165217 0.869796 0.958570 N\n0.834783 0.130204 0.041430 N\n0.832157 0.163683 0.332560 N\n0.167843 0.836317 0.667440 N\n0.996780 0.686805 0.100404 N\n0.003220 0.313195 0.899596 N\n0.576179 0.635337 0.841341 Cl\n0.292892 0.640059 0.393368 Cl\n0.707108 0.359941 0.606632 Cl\n0.423821 0.364663 0.158659 Cl\n0.180373 0.168298 0.694291 O\n0.399142 0.853601 0.131461 O\n0.600858 0.146399 0.868539 O\n0.819627 0.831702 0.305709 O\n",
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"formula_full": "Zn2 H16 C4 N8 Cl4 O4",
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{
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"created_at": "2022-09-04T14:42:03.073977Z",
"structure_string": "Eu8 Si12 Ag4\n1.0\n0.000000 7.272705 8.862919\n4.198108 0.000000 8.862919\n4.198108 7.272705 0.000000\nEu Si Ag\n8 12 4\ndirect\n0.376709 0.376709 0.623291 Eu\n0.623291 0.623291 0.376709 Eu\n0.873291 0.873291 0.626709 Eu\n0.626709 0.626709 0.873291 Eu\n0.875593 0.875593 0.124407 Eu\n0.124407 0.124407 0.875593 Eu\n0.374407 0.374407 0.125593 Eu\n0.125593 0.125593 0.374407 Eu\n0.661641 0.338359 0.661641 Si\n0.338359 0.661641 0.338359 Si\n0.588359 0.911641 0.588359 Si\n0.911641 0.588359 0.911641 Si\n0.336990 0.658856 0.824565 Si\n0.179588 0.824565 0.658856 Si\n0.824565 0.179588 0.336990 Si\n0.658856 0.336990 0.179588 Si\n0.913010 0.591144 0.425435 Si\n0.070412 0.425435 0.591144 Si\n0.425435 0.070412 0.913010 Si\n0.591144 0.913010 0.070412 Si\n0.833084 0.166916 0.833084 Ag\n0.166916 0.833084 0.166916 Ag\n0.416916 0.083084 0.416916 Ag\n0.083084 0.416916 0.083084 Ag\n",
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"elements": [
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{
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{
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{
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}