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{
"id": "jvasp-121115",
"created_at": "2022-09-04T14:38:52.542627Z",
"updated_at": "2022-09-04T14:38:52.542663Z",
"structure_string": "Hg1 Br3\n1.0\n4.037225 -0.326476 0.570968\n1.632090 -5.831809 -0.268543\n-1.416079 -1.752822 -5.609347\nHg Br\n1 3\ndirect\n-0.181088 0.022035 -0.098547 Hg\n0.318229 0.522649 0.400843 Br\n0.318564 0.827181 0.705373 Br\n0.317817 0.218289 0.096126 Br\n",
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{
"id": "jvasp-118606",
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"structure_string": "Li2 Ni1 O2\n1.0\n-1.397690 1.882923 4.423405\n1.397690 -1.882923 4.423405\n1.397690 1.882923 -4.423405\nLi Ni O\n2 1 2\ndirect\n0.804624 0.304626 0.499999 Li\n0.195375 0.695375 0.500000 Li\n0.499999 0.000000 0.499999 Ni\n0.356605 0.356605 -0.000000 O\n0.643397 0.643397 -0.000000 O\n",
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{
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"structure_string": "Tl1 Sn1 F3\n1.0\n4.515281 0.139857 -0.030511\n0.426564 4.531377 0.049706\n0.765683 0.850021 4.866033\nTl Sn F\n1 1 3\ndirect\n0.028040 0.011646 0.967842 Tl\n0.515859 0.528856 0.461565 Sn\n-0.006952 0.448748 0.542868 F\n0.408845 0.464415 0.895100 F\n0.554201 0.036337 0.572620 F\n",
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{
"id": "jvasp-118981",
"created_at": "2022-09-04T14:38:52.544312Z",
"updated_at": "2022-09-04T14:38:52.544346Z",
"structure_string": "Li4 Co2 O6\n1.0\n2.746274 0.091965 -0.662850\n-0.515235 5.578561 -1.378033\n0.060679 0.023588 6.286607\nLi Co O\n4 2 6\ndirect\n0.658991 0.339406 0.817552 Li\n0.341006 0.660594 0.182448 Li\n0.000000 0.000000 0.500000 Li\n-0.000001 0.500000 0.500000 Li\n0.662792 0.826806 0.825429 Co\n0.337205 0.173193 0.174572 Co\n0.171258 0.614296 0.841970 O\n0.826099 0.939471 0.151811 O\n0.488749 0.243330 0.477500 O\n0.173898 0.060528 0.848189 O\n0.828739 0.385703 0.158030 O\n0.511248 0.756669 0.522500 O\n",
"nsites": 12,
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"elements": [
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"volume": 96.92432651798681,
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"formula_full": "Li4 Co2 O6",
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"formula_anonymous": "AB2C3",
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"spacegroup": 12
},
{
"id": "jvasp-118608",
"created_at": "2022-09-04T14:38:52.550063Z",
"updated_at": "2022-09-04T14:38:52.550093Z",
"structure_string": "Li1 Zr1 O1\n1.0\n3.122612 0.000000 -0.000000\n-0.000000 3.122612 0.000000\n-0.000000 -0.000000 6.750887\nLi Zr O\n1 1 1\ndirect\n0.000000 0.000000 0.452799 Li\n0.000000 0.000000 -0.022479 Zr\n0.000000 0.000000 0.709240 O\n",
"nsites": 3,
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"elements": [
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"density_atomic": 0.045574757600358916,
"volume": 65.82591236813016,
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"formula_full": "Li1 Zr1 O1",
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},
{
"id": "jvasp-118984",
"created_at": "2022-09-04T14:38:52.552733Z",
"updated_at": "2022-09-04T14:38:52.552765Z",
"structure_string": "Li6 Mn2 Co2 O10\n1.0\n4.875287 0.008171 -0.618761\n-1.859644 5.264134 -1.357099\n0.012181 -0.027296 6.391683\nLi Mn Co O\n6 2 2 10\ndirect\n0.196838 0.897384 0.405963 Li\n0.992489 0.500875 0.000782 Li\n0.410346 0.305403 0.788367 Li\n0.606951 0.691690 0.213709 Li\n0.797909 0.109279 0.593245 Li\n0.796672 0.592885 0.591767 Li\n-0.000284 0.999214 0.998502 Mn\n0.395610 0.791547 0.791593 Mn\n0.201065 0.402299 0.403240 Co\n0.600146 0.201106 0.201707 Co\n0.480184 0.741070 0.511814 O\n0.294573 0.863071 0.085313 O\n0.124008 0.466824 0.697207 O\n0.488286 0.251938 0.477657 O\n0.700339 0.678781 0.906514 O\n0.902869 0.069131 0.289172 O\n0.113808 0.951302 0.724255 O\n0.899096 0.522513 0.297733 O\n0.297313 0.331951 0.115070 O\n0.701786 0.131721 0.906380 O\n",
"nsites": 20,
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"elements": [
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{
"id": "jvasp-118070",
"created_at": "2022-09-04T14:38:52.556014Z",
"updated_at": "2022-09-04T14:38:52.556034Z",
"structure_string": "Zn2 H2 Cl2\n1.0\n3.604224 -0.000000 -0.000000\n-1.802112 3.121349 0.000000\n0.000000 0.000000 10.289467\nZn H Cl\n2 2 2\ndirect\n0.333332 0.666667 0.725689 Zn\n0.666665 0.333333 0.274312 Zn\n0.333332 0.666667 0.577415 H\n0.666665 0.333333 0.422586 H\n0.333332 0.666667 0.147709 Cl\n0.666665 0.333333 0.852292 Cl\n",
"nsites": 6,
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{
"id": "jvasp-116802",
"created_at": "2022-09-04T14:38:52.556595Z",
"updated_at": "2022-09-04T14:38:52.556620Z",
"structure_string": "Mn4 As4 O16\n1.0\n4.818132 0.033914 0.000000\n-0.476718 6.644341 0.000000\n-0.000000 -0.000000 9.052811\nMn As O\n4 4 16\ndirect\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n-0.000000 0.500000 -0.000000 Mn\n0.500000 -0.000000 0.500000 Mn\n0.965204 0.780160 0.319129 As\n0.465205 0.280160 0.180871 As\n0.034795 0.219839 0.680871 As\n0.534794 0.719839 0.819129 As\n0.307105 0.783208 0.378318 O\n0.814655 0.993218 0.377393 O\n0.192894 0.716791 0.878318 O\n0.809742 0.555080 0.377588 O\n0.185344 0.006781 0.622607 O\n0.690256 0.944918 0.877588 O\n0.905907 0.770779 0.127742 O\n0.692894 0.216791 0.621682 O\n0.594092 0.729220 0.627742 O\n0.807105 0.283208 0.121682 O\n0.405907 0.270779 0.372258 O\n0.190257 0.444919 0.622412 O\n0.685344 0.506780 0.877393 O\n0.309743 0.055081 0.122412 O\n0.094092 0.229220 0.872258 O\n0.314655 0.493219 0.122607 O\n",
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{
"id": "jvasp-118179",
"created_at": "2022-09-04T14:38:52.558899Z",
"updated_at": "2022-09-04T14:38:52.558933Z",
"structure_string": "Al2 As1\n1.0\n5.025771 -0.048827 0.340629\n3.525529 -3.579607 0.312439\n0.252826 -0.077600 -3.740801\nAl As\n2 1\ndirect\n0.447384 0.376780 0.335778 Al\n0.171140 0.101281 0.335981 Al\n0.984534 -0.085602 -0.164053 As\n",
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{
"id": "jvasp-120572",
"created_at": "2022-09-04T14:38:52.559326Z",
"updated_at": "2022-09-04T14:38:52.559346Z",
"structure_string": "Yb4 Fe4 O12\n1.0\n5.168771 0.000000 0.000000\n0.000000 5.259405 0.000000\n-0.000000 -0.000000 7.357012\nYb Fe O\n4 4 12\ndirect\n0.010836 0.950212 0.750000 Yb\n0.510836 0.549787 0.250000 Yb\n0.489164 0.450212 0.750000 Yb\n0.989164 0.049787 0.250000 Yb\n-0.000000 0.500000 0.500000 Fe\n0.500000 0.000000 0.500000 Fe\n0.500000 0.000000 -0.000000 Fe\n-0.000000 0.500000 -0.000000 Fe\n0.571391 0.010431 0.750000 O\n0.071391 0.489569 0.250000 O\n0.707913 0.291028 0.037282 O\n0.207914 0.208971 0.962717 O\n0.792086 0.791028 0.462717 O\n0.207914 0.208971 0.537282 O\n0.292086 0.708971 0.962717 O\n0.792086 0.791028 0.037282 O\n0.428609 0.989568 0.250000 O\n0.707913 0.291028 0.462717 O\n0.292086 0.708971 0.537282 O\n0.928609 0.510430 0.750000 O\n",
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{
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"updated_at": "2022-09-04T14:38:52.559530Z",
"structure_string": "K4 Ag6 Sb6 S14\n1.0\n13.237749 0.061329 0.000000\n-10.137585 8.512997 0.000000\n-0.000000 -0.000000 6.810045\nK Ag Sb S\n4 6 6 14\ndirect\n0.485759 0.899512 0.686601 K\n0.899511 0.485759 0.686601 K\n0.514241 0.100489 0.186602 K\n0.100489 0.514242 0.186602 K\n0.682068 0.682068 0.366343 Ag\n0.317932 0.317932 0.866342 Ag\n0.403384 0.585998 0.629420 Ag\n0.585998 0.403384 0.629420 Ag\n0.596616 0.414002 0.129420 Ag\n0.414002 0.596616 0.129420 Ag\n0.152652 0.152652 0.330905 Sb\n0.761034 0.017485 0.188371 Sb\n0.847348 0.847348 0.830904 Sb\n0.238966 0.982515 0.688371 Sb\n0.982515 0.238966 0.688371 Sb\n0.017485 0.761035 0.188371 Sb\n0.696105 0.846947 0.613984 S\n0.846946 0.696106 0.613984 S\n0.477537 0.823536 0.195821 S\n0.823536 0.477538 0.195821 S\n0.522463 0.176464 0.695821 S\n0.176464 0.522463 0.695821 S\n0.801832 0.183643 0.928816 S\n0.198169 0.816358 0.428817 S\n0.816358 0.198169 0.428817 S\n0.385031 0.385031 0.518231 S\n0.614969 0.614969 0.018231 S\n0.153054 0.303895 0.113984 S\n0.183642 0.801832 0.928816 S\n0.303895 0.153054 0.113984 S\n",
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{
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"structure_string": "C1 Br1 N1\n1.0\n4.000115 -0.000000 0.000000\n-2.000058 3.464202 -0.000000\n-0.000000 0.000000 3.037267\nC Br N\n1 1 1\ndirect\n0.333334 0.666667 0.000000 C\n0.000000 0.000000 0.000000 Br\n0.666668 0.333334 0.000000 N\n",
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}
]
}