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{
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"structure_string": "Mg4 S4 O32\n1.0\n13.130645 0.000000 0.000000\n0.000000 5.297456 0.000000\n0.000000 5.146151 8.691277\nMg S O\n4 4 32\ndirect\n0.407452 0.998882 0.191428 Mg\n0.592548 0.001118 0.808572 Mg\n0.907452 0.001118 0.308572 Mg\n0.092548 0.998882 0.691428 Mg\n0.603797 0.608458 0.189886 S\n0.396203 0.391542 0.810114 S\n0.103797 0.391542 0.310114 S\n0.896203 0.608458 0.689886 S\n0.833883 0.666650 0.050150 O\n0.166117 0.333350 0.949850 O\n0.333883 0.333350 0.449850 O\n0.666117 0.666650 0.550150 O\n0.359226 0.587787 0.188540 O\n0.640774 0.412213 0.811460 O\n0.859226 0.412213 0.311460 O\n0.140774 0.587787 0.688540 O\n0.590568 0.290009 0.289970 O\n0.409432 0.709991 0.710030 O\n0.090568 0.709991 0.210030 O\n0.909432 0.290009 0.789970 O\n0.282121 0.783267 0.322279 O\n0.717879 0.216733 0.677721 O\n0.782121 0.216733 0.177721 O\n0.217879 0.783267 0.822279 O\n0.918504 0.835523 0.163467 O\n0.081496 0.164477 0.836533 O\n0.418504 0.164477 0.336533 O\n0.581496 0.835523 0.663467 O\n0.711032 0.694319 0.208654 O\n0.288968 0.305681 0.791346 O\n0.211032 0.305681 0.291346 O\n0.788968 0.694319 0.708654 O\n0.536270 0.775340 0.236802 O\n0.463730 0.224660 0.763198 O\n0.036270 0.224660 0.263198 O\n0.963730 0.775340 0.736802 O\n0.585788 0.701910 0.026312 O\n0.414212 0.298090 0.973688 O\n0.085788 0.298090 0.473688 O\n0.914212 0.701910 0.526312 O\n",
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{
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"structure_string": "Na2 Ni1 H4 Se2 O10\n1.0\n0.016197 -0.014869 5.613870\n5.761258 -0.108233 -1.691955\n-2.900405 6.822147 -1.188058\nNa Ni H Se O\n2 1 4 2 10\ndirect\n0.336498 0.707756 0.251114 Na\n0.663502 0.292244 0.748886 Na\n0.000000 0.000000 0.000000 Ni\n0.853941 0.873933 0.621008 H\n0.146059 0.126067 0.378992 H\n0.081969 0.141628 0.716255 H\n0.918031 0.858372 0.283745 H\n0.338806 0.666890 0.762776 Se\n0.661194 0.333110 0.237224 Se\n0.103968 0.678973 0.877552 O\n0.896032 0.321027 0.122448 O\n0.619434 0.758625 0.937341 O\n0.380566 0.241375 0.062659 O\n0.356309 0.834093 0.627257 O\n0.643691 0.165907 0.372743 O\n0.274891 0.357625 0.628718 O\n0.725109 0.642375 0.371282 O\n0.926925 0.038880 0.738567 O\n0.073075 0.961120 0.261433 O\n",
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"formula_full": "Na2 Ni1 H4 Se2 O10",
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{
"id": "mp-545730",
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"structure_string": "Ag2 C2 N2 O2\n1.0\n3.595192 0.000000 0.000000\n0.000000 5.569377 0.000000\n0.000000 0.000000 6.232635\nAg C N O\n2 2 2 2\ndirect\n0.500000 0.101680 0.000000 Ag\n0.000000 0.898320 0.500000 Ag\n0.500000 0.666648 0.500000 C\n0.000000 0.333352 0.000000 C\n0.000000 0.547161 0.000000 N\n0.500000 0.452839 0.500000 N\n0.500000 0.227875 0.500000 O\n0.000000 0.772125 0.000000 O\n",
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{
"id": "mp-36862",
"created_at": "2022-09-04T14:45:19.757112Z",
"structure_string": "V2 Cl4 O2\n1.0\n6.526646 -0.202827 -2.488258\n-0.428657 3.433896 -1.404459\n0.786310 0.889014 6.905653\nV Cl O\n2 4 2\ndirect\n0.000011 0.942260 0.999940 V\n0.499989 0.057728 0.000060 V\n0.186801 0.872892 0.746277 Cl\n0.313198 0.127116 0.253723 Cl\n0.686620 0.873177 0.746330 Cl\n0.813381 0.126832 0.253670 Cl\n0.500005 0.510474 0.000239 O\n0.999995 0.489521 0.999761 O\n",
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"elements": [
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"formula_full": "V2 Cl4 O2",
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"spacegroup": 15
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{
"id": "mp-978254",
"created_at": "2022-09-04T14:45:36.913643Z",
"structure_string": "La6 Ag2\n1.0\n3.628127 -6.284100 0.000000\n3.628127 6.284100 0.000000\n0.000000 0.000000 5.430590\nLa Ag\n6 2\ndirect\n0.176850 0.353700 0.250000 La\n0.646300 0.823150 0.250000 La\n0.176850 0.823150 0.250000 La\n0.823150 0.646300 0.750000 La\n0.353700 0.176850 0.750000 La\n0.823150 0.176850 0.750000 La\n0.333333 0.666667 0.750000 Ag\n0.666667 0.333333 0.250000 Ag\n",
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"formula_full": "La6 Ag2",
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{
"id": "mp-772979",
"created_at": "2022-09-04T14:45:19.630414Z",
"structure_string": "Li6 Zn6 Ge12 O32\n1.0\n8.400351 0.000000 0.000000\n0.000000 8.399865 0.000000\n0.000000 0.008866 8.401304\nLi Zn Ge O\n6 6 12 32\ndirect\n0.374562 0.125833 0.627238 Li\n0.874562 0.874167 0.372762 Li\n0.624055 0.376384 0.123308 Li\n0.749415 0.750272 0.999170 Li\n0.249415 0.249728 0.000830 Li\n0.124055 0.623616 0.876692 Li\n0.000470 0.000393 0.751339 Zn\n0.500744 0.499875 0.751164 Zn\n0.249484 0.749938 0.500794 Zn\n0.749484 0.250062 0.499206 Zn\n0.500470 0.999607 0.248661 Zn\n0.000744 0.500125 0.248836 Zn\n0.624948 0.879416 0.623938 Ge\n0.129964 0.373754 0.633671 Ge\n0.878830 0.628751 0.629323 Ge\n0.629964 0.626246 0.366329 Ge\n0.378830 0.371249 0.370677 Ge\n0.124948 0.120584 0.376062 Ge\n0.117683 0.872562 0.123855 Ge\n0.378037 0.618332 0.119891 Ge\n0.873637 0.120750 0.127665 Ge\n0.373637 0.879250 0.872335 Ge\n0.878037 0.381668 0.880109 Ge\n0.617683 0.127438 0.876145 Ge\n0.104413 0.606300 0.622516 O\n0.638700 0.639193 0.610873 O\n0.122545 0.142480 0.602949 O\n0.627588 0.105233 0.642858 O\n0.392335 0.872594 0.645895 O\n0.857175 0.854650 0.627524 O\n0.354844 0.377425 0.606046 O\n0.888115 0.387640 0.636753 O\n0.127588 0.894767 0.357142 O\n0.388115 0.612360 0.363247 O\n0.622545 0.857520 0.397051 O\n0.854844 0.622575 0.393954 O\n0.138700 0.360807 0.389127 O\n0.357175 0.145350 0.372476 O\n0.604413 0.393700 0.377484 O\n0.892335 0.127406 0.354105 O\n0.360672 0.861194 0.111225 O\n0.896092 0.893876 0.121331 O\n0.144173 0.647134 0.127493 O\n0.604614 0.629029 0.145656 O\n0.371254 0.397072 0.144718 O\n0.877506 0.355529 0.104615 O\n0.110928 0.110400 0.140307 O\n0.647215 0.122463 0.106999 O\n0.147215 0.877537 0.893001 O\n0.610928 0.889600 0.859693 O\n0.377506 0.644471 0.895385 O\n0.871254 0.602928 0.855282 O\n0.104614 0.370971 0.854344 O\n0.644173 0.352866 0.872507 O\n0.396092 0.106124 0.878669 O\n0.860672 0.138806 0.888775 O\n",
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],
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"formula_full": "Li6 Zn6 Ge12 O32",
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{
"id": "mp-1044203",
"created_at": "2022-09-04T14:45:19.632809Z",
"structure_string": "Ba1 Mg1 V4 O8\n1.0\n2.736455 -4.739679 0.000000\n2.736455 4.739679 0.000000\n0.000000 0.000000 7.420556\nBa Mg V O\n1 1 4 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Mg\n0.333333 0.666667 0.743838 V\n0.666667 0.333333 0.743838 V\n0.333333 0.666667 0.256162 V\n0.666667 0.333333 0.256162 V\n0.315475 0.315475 0.676297 O\n0.684525 0.000000 0.676297 O\n0.000000 0.684525 0.676297 O\n0.684525 0.684525 0.323703 O\n0.000000 0.315475 0.323703 O\n0.315475 0.000000 0.323703 O\n0.333333 0.666667 0.000000 O\n0.666667 0.333333 0.000000 O\n",
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{
"id": "mp-1236294",
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"structure_string": "Li1 Ce2 O3\n1.0\n3.474776 0.000000 0.000000\n-1.737388 3.009244 0.000000\n0.000000 0.000000 8.080518\nLi Ce O\n1 2 3\ndirect\n0.000000 0.000000 0.499958 Li\n0.666667 0.333333 0.819612 Ce\n0.333333 0.666667 0.180407 Ce\n0.666667 0.333333 0.339833 O\n0.333333 0.666667 0.660189 O\n0.000000 0.000000 0.000000 O\n",
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{
"id": "mp-1037497",
"created_at": "2022-09-04T14:45:19.656890Z",
"structure_string": "Mg30 Zn1 Co1 O32\n1.0\n8.515587 0.000000 0.000000\n0.000000 8.515587 0.000000\n0.000000 0.000000 8.535788\nMg Zn Co O\n30 1 1 32\ndirect\n0.000000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.000000 0.248793 0.249835 Mg\n0.000000 0.248793 0.750165 Mg\n0.000000 0.751207 0.249835 Mg\n0.000000 0.751207 0.750165 Mg\n0.500000 0.249624 0.249806 Mg\n0.500000 0.249624 0.750194 Mg\n0.500000 0.750376 0.249806 Mg\n0.500000 0.750376 0.750194 Mg\n0.248793 0.000000 0.249835 Mg\n0.248793 0.000000 0.750165 Mg\n0.249624 0.500000 0.249806 Mg\n0.249624 0.500000 0.750194 Mg\n0.751207 0.000000 0.249835 Mg\n0.751207 0.000000 0.750165 Mg\n0.750376 0.500000 0.249806 Mg\n0.750376 0.500000 0.750194 Mg\n0.249720 0.249720 0.000000 Mg\n0.250102 0.250102 0.500000 Mg\n0.249720 0.750280 0.000000 Mg\n0.250102 0.749898 0.500000 Mg\n0.750280 0.249720 0.000000 Mg\n0.749898 0.250102 0.500000 Mg\n0.750280 0.750280 0.000000 Mg\n0.749898 0.749898 0.500000 Mg\n0.000000 0.000000 0.000000 Zn\n0.000000 0.000000 0.500000 Co\n0.254716 0.000000 0.000000 O\n0.249922 0.000000 0.500000 O\n0.250437 0.500000 0.000000 O\n0.249671 0.500000 0.500000 O\n0.745284 0.000000 0.000000 O\n0.750078 0.000000 0.500000 O\n0.749563 0.500000 0.000000 O\n0.750329 0.500000 0.500000 O\n0.249532 0.249532 0.250325 O\n0.249532 0.249532 0.749675 O\n0.249532 0.750468 0.250325 O\n0.249532 0.750468 0.749675 O\n0.750468 0.249532 0.250325 O\n0.750468 0.249532 0.749675 O\n0.750468 0.750468 0.250325 O\n0.750468 0.750468 0.749675 O\n0.000000 0.000000 0.245970 O\n0.000000 0.000000 0.754030 O\n0.000000 0.500000 0.250972 O\n0.000000 0.500000 0.749028 O\n0.500000 0.000000 0.250972 O\n0.500000 0.000000 0.749028 O\n0.500000 0.500000 0.250351 O\n0.500000 0.500000 0.749649 O\n0.000000 0.254716 0.000000 O\n0.000000 0.249922 0.500000 O\n0.000000 0.745284 0.000000 O\n0.000000 0.750078 0.500000 O\n0.500000 0.250437 0.000000 O\n0.500000 0.249671 0.500000 O\n0.500000 0.749563 0.000000 O\n0.500000 0.750329 0.500000 O\n",
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{
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},
{
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"created_at": "2022-09-04T14:45:19.661617Z",
"structure_string": "Be1 Fe2 P1\n1.0\n-4.282575 4.426611 6.146749\n4.282575 -4.426611 6.146749\n4.282575 4.426611 -6.146749\nBe Fe P\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.257260 0.000000 0.257260 Fe\n0.742740 0.000000 0.742740 Fe\n0.500000 0.000000 0.500000 P\n",
"nsites": 4,
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"elements": [
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"Fe",
"P"
],
"chemical_system": "Be-Fe-P",
"density": 0.540361000536563,
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"volume": 466.1029019957773,
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"formula_full": "Be1 Fe2 P1",
"formula_reduced": "BeFe2P",
"formula_anonymous": "ABC2",
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},
{
"id": "mp-1046496",
"created_at": "2022-09-04T14:45:19.665272Z",
"structure_string": "Sr2 Ca2 Fe2 P4 O16\n1.0\n5.619647 -0.011053 -1.120816\n-1.485663 6.373470 -2.382353\n-0.036717 0.104565 9.577078\nSr Ca Fe P O\n2 2 2 4 16\ndirect\n0.269207 0.808199 0.059951 Sr\n0.730793 0.191801 0.940049 Sr\n0.009354 0.419177 0.662773 Ca\n0.990646 0.580823 0.337227 Ca\n0.633992 0.846896 0.557347 Fe\n0.366008 0.153104 0.442653 Fe\n0.386251 0.414843 0.222822 P\n0.613749 0.585157 0.777178 P\n0.842096 0.033977 0.298175 P\n0.157904 0.966023 0.701825 P\n0.849489 0.561507 0.878427 O\n0.612281 0.453467 0.162778 O\n0.652615 0.801726 0.763692 O\n0.955941 0.096353 0.689921 O\n0.387719 0.546533 0.837222 O\n0.023380 0.733704 0.597766 O\n0.976620 0.266296 0.402234 O\n0.262959 0.997922 0.870183 O\n0.347385 0.198274 0.236308 O\n0.737041 0.002078 0.129817 O\n0.150511 0.438493 0.121573 O\n0.418518 0.586147 0.385444 O\n0.581482 0.413853 0.614556 O\n0.633961 0.962259 0.367029 O\n0.044059 0.903647 0.310079 O\n0.366039 0.037741 0.632971 O\n",
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"elements": [
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],
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"formula_full": "Sr2 Ca2 Fe2 P4 O16",
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"spacegroup": 2
}
]
}