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{
"id": "jvasp-34184",
"created_at": "2022-09-04T14:37:14.602157Z",
"updated_at": "2022-09-04T14:37:14.602185Z",
"structure_string": "Mg4 V2 O8\n1.0\n5.135516 -0.000000 2.964991\n1.711839 4.841810 2.964991\n-0.000000 0.000000 5.929982\nMg V O\n4 2 8\ndirect\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500001 0.500000 -0.000000 Mg\n0.500001 0.500000 0.499999 Mg\n0.125000 0.125000 0.125000 V\n0.875001 0.875000 0.874999 V\n0.748845 0.748844 0.748843 O\n0.251156 0.251156 0.746530 O\n0.251157 0.746531 0.251156 O\n0.746531 0.251156 0.251156 O\n0.748845 0.253469 0.748843 O\n0.253470 0.748844 0.748843 O\n0.251156 0.251156 0.251156 O\n0.748845 0.748844 0.253469 O\n",
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{
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"structure_string": "Li5 Ag1 F8\n1.0\n2.934521 1.645184 -4.809118\n-2.934521 5.227696 -0.002265\n2.934521 -1.645184 4.809118\nLi Ag F\n5 1 8\ndirect\n0.138374 0.415124 0.276749 Li\n0.500000 -0.000000 -0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.861626 0.584877 0.723250 Li\n0.500000 0.000000 0.500000 Li\n0.500000 0.500000 -0.000000 Ag\n0.258129 0.756404 0.007266 F\n0.263342 0.790026 0.526684 F\n0.749138 0.756403 0.007265 F\n0.749138 0.756404 0.498274 F\n0.250863 0.243597 0.501725 F\n0.250863 0.243597 0.992734 F\n0.736658 0.209975 0.473316 F\n0.741871 0.243597 0.992734 F\n",
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{
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"created_at": "2022-09-04T14:37:08.528867Z",
"updated_at": "2022-09-04T14:37:08.528892Z",
"structure_string": "Cr4 Hg2 O8\n1.0\n5.358421 0.000000 3.093685\n1.786140 5.051967 3.093685\n0.000000 0.000000 6.187371\nCr Hg O\n4 2 8\ndirect\n-0.000000 0.500000 0.000000 Cr\n0.500000 -0.000000 0.000000 Cr\n-0.000000 -0.000000 0.500000 Cr\n0.000000 0.000000 0.000000 Cr\n0.625000 0.625000 0.625001 Hg\n0.375000 0.375000 0.375000 Hg\n0.771713 0.771714 0.771715 O\n0.228286 0.228286 0.815141 O\n0.228286 0.815141 0.228287 O\n0.815141 0.228286 0.228287 O\n0.771714 0.184859 0.771714 O\n0.184859 0.771714 0.771714 O\n0.228286 0.228286 0.228287 O\n0.771713 0.771714 0.184860 O\n",
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"volume": 167.4956354186398,
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{
"id": "jvasp-56931",
"created_at": "2022-09-04T14:37:28.889154Z",
"updated_at": "2022-09-04T14:37:28.889183Z",
"structure_string": "Ti8 Co2 Bi4\n1.0\n4.619339 0.000000 1.517837\n2.309669 7.489332 0.758919\n-0.028226 -0.000000 7.873997\nTi Co Bi\n8 2 4\ndirect\n0.420164 0.272724 0.886948 Ti\n0.692889 0.886947 0.727276 Ti\n0.807111 0.272724 0.113053 Ti\n0.192889 0.727275 0.886948 Ti\n0.079835 0.113052 0.727276 Ti\n0.920165 0.886947 0.272725 Ti\n0.579836 0.727275 0.113053 Ti\n0.307111 0.113052 0.272725 Ti\n0.250000 -0.000000 0.000000 Co\n0.750000 -0.000000 0.000000 Co\n0.359803 0.780394 0.500001 Bi\n0.859803 0.500000 0.780395 Bi\n0.140197 0.500000 0.219606 Bi\n0.640197 0.219606 0.500001 Bi\n",
"nsites": 14,
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{
"id": "jvasp-9405",
"created_at": "2022-09-04T14:37:07.749805Z",
"updated_at": "2022-09-04T14:37:07.749834Z",
"structure_string": "Tl1 Cr5 Se8\n1.0\n3.599155 -0.000000 -0.698789\n-0.430523 8.695999 -2.217439\n-0.004371 -0.003546 9.595726\nTl Cr Se\n1 5 8\ndirect\n0.000000 0.000000 0.000000 Tl\n0.500001 0.500000 -0.000000 Cr\n0.157377 0.474828 0.314753 Cr\n0.203953 0.835588 0.407904 Cr\n0.796049 0.164412 0.592097 Cr\n0.842626 0.525172 0.685248 Cr\n0.925332 0.343175 0.850661 Se\n0.330831 0.007177 0.661661 Se\n0.669171 0.992822 0.338339 Se\n0.415045 0.678808 0.830087 Se\n0.584957 0.321191 0.169913 Se\n0.737864 0.656556 0.475725 Se\n0.262138 0.343444 0.524275 Se\n0.074671 0.656825 0.149340 Se\n",
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"spacegroup": 12
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{
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"created_at": "2022-09-04T14:37:29.493706Z",
"updated_at": "2022-09-04T14:37:29.493724Z",
"structure_string": "Cu2 Rh4 Se8\n1.0\n6.361031 -0.000000 3.672543\n2.120344 5.997238 3.672543\n0.000000 0.000000 7.345086\nCu Rh Se\n2 4 8\ndirect\n0.874999 0.875000 0.875000 Cu\n0.125000 0.125000 0.125000 Cu\n0.500000 0.500000 0.500000 Rh\n0.500000 0.000000 0.500000 Rh\n-0.000000 0.500000 0.500000 Rh\n0.500000 0.500000 -0.000000 Rh\n0.259298 0.259298 0.722107 Se\n0.740701 0.740702 0.740702 Se\n0.740701 0.740702 0.277893 Se\n0.259298 0.722107 0.259298 Se\n0.259298 0.259298 0.259298 Se\n0.277893 0.740702 0.740702 Se\n0.740701 0.277894 0.740702 Se\n0.722106 0.259298 0.259298 Se\n",
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"volume": 280.204871414864,
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"formula_full": "Cu2 Rh4 Se8",
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{
"id": "jvasp-9934",
"created_at": "2022-09-04T14:37:07.705206Z",
"updated_at": "2022-09-04T14:37:07.705226Z",
"structure_string": "Mg2 Fe4 O8\n1.0\n5.006875 -0.000000 2.890721\n1.668958 4.720527 2.890721\n0.000000 0.000000 5.781442\nMg Fe O\n2 4 8\ndirect\n0.125000 0.125000 0.125000 Mg\n0.875001 0.875001 0.874999 Mg\n0.500001 0.500000 -0.000001 Fe\n0.500001 0.500000 0.499999 Fe\n0.000000 0.500000 0.500000 Fe\n0.500000 0.000000 0.500000 Fe\n0.737156 0.737155 0.737154 O\n0.262845 0.262845 0.711465 O\n0.262845 0.711466 0.262845 O\n0.711466 0.262845 0.262844 O\n0.737156 0.288535 0.737154 O\n0.288535 0.737155 0.737154 O\n0.262845 0.262845 0.262845 O\n0.737156 0.737155 0.288533 O\n",
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{
"id": "jvasp-10571",
"created_at": "2022-09-04T14:37:15.302444Z",
"updated_at": "2022-09-04T14:37:15.302452Z",
"structure_string": "Rb2 Sb4 Se8\n1.0\n6.473446 0.147010 -0.005126\n1.835547 6.891353 -0.052938\n0.816405 1.464322 9.575227\nRb Sb Se\n2 4 8\ndirect\n0.175400 0.185223 0.560155 Rb\n0.824601 0.814776 0.439845 Rb\n0.844072 0.812856 0.955276 Sb\n0.155929 0.187144 0.044724 Sb\n0.446196 0.598505 0.167275 Sb\n0.553805 0.401494 0.832725 Sb\n0.228302 0.852447 0.880265 Se\n0.771698 0.147552 0.119735 Se\n0.320611 0.933091 0.273628 Se\n0.679390 0.066908 0.726372 Se\n0.390971 0.600292 0.584256 Se\n0.609030 0.399707 0.415744 Se\n0.084934 0.491330 0.212880 Se\n0.915067 0.508670 0.787120 Se\n",
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{
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"created_at": "2022-09-04T14:37:06.178666Z",
"updated_at": "2022-09-04T14:37:06.178691Z",
"structure_string": "Na4 S2 O8\n1.0\n2.469658 -4.277573 -0.000000\n2.469658 4.277573 0.000000\n-0.000000 -0.000000 8.167767\nNa S O\n4 2 8\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.000000 0.500000 Na\n0.666667 0.333334 0.959162 Na\n0.333334 0.666667 0.040838 Na\n0.333334 0.666667 0.715840 S\n0.666667 0.333334 0.284161 S\n0.690637 0.845319 0.229805 O\n0.154682 0.309363 0.229805 O\n0.154682 0.845318 0.229805 O\n0.845318 0.154682 0.770196 O\n0.845319 0.690637 0.770196 O\n0.309363 0.154682 0.770196 O\n0.333334 0.666667 0.539555 O\n0.666667 0.333334 0.460445 O\n",
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{
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"created_at": "2022-09-04T14:37:28.772913Z",
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"structure_string": "Zn2 Co4 S8\n1.0\n5.900019 -0.000062 3.406273\n1.966621 5.562580 3.406261\n-0.000070 -0.000063 6.812666\nZn Co S\n2 4 8\ndirect\n0.874985 0.875015 0.875015 Zn\n0.125016 0.124985 0.124985 Zn\n0.500000 0.500000 0.500000 Co\n0.500000 0.500000 -0.000000 Co\n-0.000000 0.500000 0.500001 Co\n0.500000 1.000000 0.500000 Co\n0.734695 0.734696 0.734696 S\n0.265304 0.265307 0.704083 S\n0.265304 0.704083 0.265307 S\n0.704110 0.265297 0.265296 S\n0.734697 0.295917 0.734693 S\n0.295890 0.734703 0.734703 S\n0.265304 0.265305 0.265304 S\n0.734696 0.734692 0.295917 S\n",
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"created_at": "2022-09-04T14:37:15.167675Z",
"updated_at": "2022-09-04T14:37:15.167727Z",
"structure_string": "Rb3 Na1 Ru2 O8\n1.0\n3.027455 -5.243706 -0.000000\n3.027455 5.243706 0.000000\n0.000000 0.000000 7.938523\nRb Na Ru O\n3 1 2 8\ndirect\n0.666666 0.333332 0.649827 Rb\n0.000000 0.000000 0.000000 Rb\n0.333332 0.666666 0.350173 Rb\n0.000000 0.000000 0.500000 Na\n0.666666 0.333332 0.214967 Ru\n0.333332 0.666666 0.785033 Ru\n0.176096 0.823902 0.693905 O\n0.647804 0.823902 0.693905 O\n0.176097 0.352194 0.693905 O\n0.823902 0.176096 0.306095 O\n0.823902 0.647804 0.306095 O\n0.352194 0.176097 0.306095 O\n0.666666 0.333332 -0.006936 O\n0.333332 0.666666 0.006936 O\n",
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{
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"created_at": "2022-09-04T14:37:15.176633Z",
"updated_at": "2022-09-04T14:37:15.176661Z",
"structure_string": "Er4 Cu2 O8\n1.0\n5.451088 -0.000000 -0.000000\n0.000000 2.727450 5.828267\n-0.000000 -5.454902 -0.000000\nEr Cu O\n4 2 8\ndirect\n0.000000 0.309050 0.654526 Er\n0.000000 0.690951 0.345474 Er\n0.500000 0.690951 0.845474 Er\n0.500000 0.309050 0.154526 Er\n0.000000 0.000000 0.000000 Cu\n0.500000 0.000000 0.500000 Cu\n0.198817 0.000000 0.301966 O\n0.250000 0.500000 0.990172 O\n0.250000 0.500000 0.490172 O\n0.301183 0.000000 0.801965 O\n0.698817 0.000000 0.198034 O\n0.750000 0.500000 0.509828 O\n0.750000 0.500000 0.009828 O\n0.801183 0.000000 0.698034 O\n",
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]
}