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{
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{
"id": "jvasp-10670",
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"structure_string": "Ba2 Y2 Ag2 Te6\n1.0\n4.517177 0.000000 0.000000\n-2.258588 7.521955 0.000000\n0.000000 0.000000 11.454225\nBa Y Ag Te\n2 2 2 6\ndirect\n0.243881 0.487762 0.250000 Ba\n0.756119 0.512237 0.750000 Ba\n0.000000 0.000000 0.000000 Y\n0.000000 0.000000 0.500000 Y\n0.532454 0.064908 0.250000 Ag\n0.467546 0.935091 0.750000 Ag\n0.360546 0.721092 0.950447 Te\n0.919799 0.839598 0.250000 Te\n0.639454 0.278907 0.450448 Te\n0.639454 0.278907 0.049552 Te\n0.360546 0.721092 0.549552 Te\n0.080201 0.160402 0.750000 Te\n",
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{
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{
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"updated_at": "2022-09-04T14:37:19.553831Z",
"structure_string": "Na2 B2 C8 O16\n1.0\n6.542668 -0.088353 -0.000000\n-1.631254 6.336666 0.000000\n0.000000 0.000000 7.714563\nNa B C O\n2 2 8 16\ndirect\n0.066234 0.933767 0.750000 Na\n0.933767 0.066234 0.250000 Na\n0.433172 0.566829 0.250000 B\n0.566829 0.433172 0.750000 B\n0.262117 0.545180 0.750000 C\n0.454821 0.737884 0.750000 C\n0.774898 0.225103 0.849143 C\n0.737884 0.454821 0.250000 C\n0.774898 0.225103 0.650856 C\n0.225103 0.774898 0.150857 C\n0.225103 0.774898 0.349143 C\n0.545180 0.262117 0.250000 C\n0.870655 0.129345 0.940014 O\n0.628553 0.669329 0.750000 O\n0.555947 0.079072 0.250000 O\n0.653039 0.346962 0.597661 O\n0.371449 0.330672 0.250000 O\n0.079072 0.555947 0.750000 O\n0.920929 0.444054 0.250000 O\n0.330672 0.371448 0.750000 O\n0.669329 0.628553 0.250000 O\n0.870655 0.129345 0.559985 O\n0.129346 0.870656 0.440015 O\n0.653039 0.346962 0.902338 O\n0.444054 0.920929 0.750000 O\n0.129346 0.870656 0.059985 O\n0.346962 0.653039 0.097662 O\n0.346962 0.653039 0.402338 O\n",
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{
"id": "jvasp-9959",
"created_at": "2022-09-04T14:37:19.788803Z",
"updated_at": "2022-09-04T14:37:19.788813Z",
"structure_string": "Mg2 Mn4 O8\n1.0\n2.905374 -0.000000 -0.000000\n-1.452687 4.815437 0.000000\n-0.000000 -0.000000 9.566404\nMg Mn O\n2 4 8\ndirect\n0.387902 0.775808 0.750000 Mg\n0.612095 0.224193 0.250000 Mg\n0.868647 0.737298 0.070261 Mn\n0.131351 0.262702 0.929738 Mn\n0.868647 0.737298 0.429738 Mn\n0.131351 0.262702 0.570261 Mn\n0.221446 0.442895 0.386166 O\n0.778552 0.557106 0.613834 O\n0.778552 0.557106 0.886166 O\n0.221446 0.442895 0.113834 O\n0.957908 0.915822 0.250000 O\n0.042089 0.084179 0.750000 O\n0.499999 0.000000 0.000000 O\n0.499999 0.000000 0.500000 O\n",
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"spacegroup": 63
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{
"id": "jvasp-49731",
"created_at": "2022-09-04T14:37:19.642306Z",
"updated_at": "2022-09-04T14:37:19.642329Z",
"structure_string": "Mg4 Bi2 P2 O12\n1.0\n5.325204 -0.000000 -0.000000\n0.000000 6.565616 -2.858914\n-0.000000 -0.009563 7.161047\nMg Bi P O\n4 2 2 12\ndirect\n0.250000 0.900613 0.708842 Mg\n0.250000 0.291160 0.099388 Mg\n0.749999 0.099388 0.291160 Mg\n0.749999 0.708841 0.900613 Mg\n0.749999 0.599007 0.400994 Bi\n0.250000 0.400994 0.599007 Bi\n0.250000 0.802274 0.197727 P\n0.749999 0.197727 0.802274 P\n0.749999 0.431553 0.893779 O\n0.007539 0.876350 0.123653 O\n0.500000 0.673109 0.673109 O\n0.000000 0.673109 0.673109 O\n0.250000 0.568448 0.106222 O\n0.507539 0.123652 0.876350 O\n0.749999 0.106222 0.568448 O\n0.250000 0.893779 0.431553 O\n0.992460 0.123652 0.876350 O\n0.000000 0.326892 0.326892 O\n0.500000 0.326892 0.326892 O\n0.492461 0.876350 0.123653 O\n",
"nsites": 20,
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"formula_full": "Mg4 Bi2 P2 O12",
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{
"id": "jvasp-9966",
"created_at": "2022-09-04T14:37:19.711230Z",
"updated_at": "2022-09-04T14:37:19.711252Z",
"structure_string": "Zn2 Fe4 O8\n1.0\n2.868127 0.000000 0.000000\n-1.434064 4.740561 0.000000\n0.000000 -0.000000 9.670115\nZn Fe O\n2 4 8\ndirect\n0.382544 0.765084 0.750000 Zn\n0.617458 0.234916 0.250000 Zn\n0.872497 0.744992 0.069031 Fe\n0.127505 0.255008 0.930968 Fe\n0.872497 0.744992 0.430968 Fe\n0.127505 0.255008 0.569031 Fe\n0.225303 0.450605 0.389050 O\n0.774699 0.549395 0.610950 O\n0.774699 0.549395 0.889050 O\n0.225303 0.450605 0.110950 O\n0.955929 0.911855 0.250000 O\n0.044073 0.088145 0.750000 O\n0.500000 -0.000000 0.000000 O\n0.500000 -0.000000 0.500000 O\n",
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],
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"density": 6.089903669114658,
"density_atomic": 0.10648005814286036,
"volume": 131.48001836378336,
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"formula_full": "Zn2 Fe4 O8",
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"spacegroup": 63
},
{
"id": "jvasp-9967",
"created_at": "2022-09-04T14:37:19.736782Z",
"updated_at": "2022-09-04T14:37:19.736802Z",
"structure_string": "Ca2 Cr4 O8\n1.0\n3.012771 0.000000 0.000000\n-1.506386 4.896517 0.000000\n0.000000 -0.000000 9.938201\nCa Cr O\n2 4 8\ndirect\n0.388465 0.776934 0.750000 Ca\n0.611534 0.223067 0.250000 Ca\n0.864247 0.728498 0.069751 Cr\n0.135751 0.271502 0.930249 Cr\n0.864247 0.728498 0.430249 Cr\n0.135751 0.271502 0.569751 Cr\n0.236889 0.473781 0.393327 O\n0.763109 0.526219 0.606673 O\n0.763109 0.526219 0.893327 O\n0.236889 0.473781 0.106673 O\n0.941868 0.883740 0.250000 O\n0.058131 0.116261 0.750000 O\n0.500000 -0.000000 0.000000 O\n0.500000 -0.000000 0.500000 O\n",
"nsites": 14,
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},
{
"id": "jvasp-10709",
"created_at": "2022-09-04T14:37:19.790047Z",
"updated_at": "2022-09-04T14:37:19.790076Z",
"structure_string": "Rb2 Nd4 Cu2 S8\n1.0\n4.088792 -0.000000 -0.000000\n-2.044396 7.027004 0.000000\n-0.000000 -0.000000 14.052345\nRb Nd Cu S\n2 4 2 8\ndirect\n0.893425 0.786854 0.250000 Rb\n0.106573 0.213146 0.750000 Rb\n0.365568 0.731137 0.938426 Nd\n0.634431 0.268863 0.438426 Nd\n0.365568 0.731137 0.561575 Nd\n0.634431 0.268863 0.061574 Nd\n0.836115 0.672231 0.750000 Cu\n0.163884 0.327768 0.250000 Cu\n0.000000 0.000000 0.500000 S\n0.000000 0.000000 0.000000 S\n0.573184 0.146370 0.250000 S\n0.426814 0.853629 0.750000 S\n0.261901 0.523804 0.386726 S\n0.738097 0.476195 0.886727 S\n0.738097 0.476195 0.613274 S\n0.261901 0.523804 0.113274 S\n",
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{
"id": "jvasp-10327",
"created_at": "2022-09-04T14:37:20.018661Z",
"updated_at": "2022-09-04T14:37:20.018686Z",
"structure_string": "Ca2 Sn4 O10\n1.0\n3.978215 0.000059 0.000000\n-1.988890 5.458182 0.000000\n0.000000 0.000000 10.834248\nCa Sn O\n2 4 10\ndirect\n0.807202 0.614281 0.750000 Ca\n0.192800 0.385720 0.250000 Ca\n0.131569 0.263039 0.563317 Sn\n0.868433 0.736962 0.436682 Sn\n0.868433 0.736962 0.063318 Sn\n0.131569 0.263039 0.936683 Sn\n0.801430 0.603020 0.250000 O\n0.198572 0.396980 0.750000 O\n0.305897 0.611865 0.053191 O\n0.694106 0.388136 0.946809 O\n0.694106 0.388136 0.553191 O\n0.305897 0.611865 0.446808 O\n-0.047976 -0.095377 0.609429 O\n0.047976 0.095376 0.390571 O\n-0.047976 -0.095377 0.890571 O\n0.047976 0.095376 0.109430 O\n",
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{
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"created_at": "2022-09-04T14:37:20.128613Z",
"updated_at": "2022-09-04T14:37:20.128630Z",
"structure_string": "Mg2 Cr4 O10\n1.0\n3.642537 -0.000000 0.000000\n-1.821268 4.972640 -0.000000\n0.000000 0.000000 11.128964\nMg Cr O\n2 4 10\ndirect\n0.898705 0.797409 0.750000 Mg\n0.101296 0.202592 0.250000 Mg\n0.210000 0.420001 0.596581 Cr\n0.790001 0.580000 0.403417 Cr\n0.790001 0.580000 0.096583 Cr\n0.210000 0.420001 0.903418 Cr\n0.697285 0.394568 0.250000 O\n0.302716 0.605433 0.750000 O\n0.229995 0.459988 0.077164 O\n0.770008 0.540013 0.922836 O\n0.770008 0.540013 0.577163 O\n0.229995 0.459988 0.422835 O\n0.047374 0.094748 0.629142 O\n0.952626 0.905251 0.370857 O\n0.047374 0.094748 0.870857 O\n0.952626 0.905251 0.129143 O\n",
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{
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"created_at": "2022-09-04T14:37:20.129300Z",
"updated_at": "2022-09-04T14:37:20.129329Z",
"structure_string": "Rb2 Sm4 Cu2 S8\n1.0\n4.039956 0.000000 0.000000\n-2.019978 6.945563 0.000000\n0.000000 -0.000000 13.923292\nRb Sm Cu S\n2 4 2 8\ndirect\n0.892622 0.785243 0.250000 Rb\n0.107378 0.214756 0.750000 Rb\n0.365744 0.731488 0.938115 Sm\n0.634256 0.268511 0.438115 Sm\n0.365744 0.731488 0.561885 Sm\n0.634256 0.268511 0.061885 Sm\n0.836144 0.672288 0.750000 Cu\n0.163856 0.327712 0.250000 Cu\n0.000000 0.000000 0.500000 S\n0.000000 0.000000 0.000000 S\n0.572928 0.145854 0.250000 S\n0.427073 0.854145 0.750000 S\n0.261634 0.523268 0.388453 S\n0.738366 0.476732 0.888453 S\n0.738366 0.476732 0.611547 S\n0.261634 0.523268 0.111547 S\n",
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"formula_full": "Rb2 Sm4 Cu2 S8",
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{
"id": "jvasp-10332",
"created_at": "2022-09-04T14:37:20.190469Z",
"updated_at": "2022-09-04T14:37:20.190492Z",
"structure_string": "Mg2 Mn4 O10\n1.0\n3.654276 -0.000000 0.000000\n-1.827137 4.809533 -0.000000\n0.000000 -0.000000 11.258094\nMg Mn O\n2 4 10\ndirect\n0.911419 0.822836 0.750000 Mg\n0.088582 0.177165 0.250000 Mg\n0.224816 0.449633 0.597185 Mn\n0.775185 0.550367 0.402813 Mn\n0.775185 0.550367 0.097186 Mn\n0.224816 0.449633 0.902814 Mn\n0.691873 0.383746 0.250000 O\n0.308128 0.616254 0.750000 O\n0.227071 0.454140 0.079442 O\n0.772931 0.545860 0.920558 O\n0.772931 0.545860 0.579442 O\n0.227071 0.454140 0.420557 O\n0.053512 0.107022 0.623315 O\n0.946488 0.892977 0.376684 O\n0.053512 0.107022 0.876684 O\n0.946488 0.892977 0.123316 O\n",
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"formula_full": "Mg2 Mn4 O10",
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}
]
}