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{
"id": "oqmd-1747910",
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"updated_at": "2022-09-04T16:03:17.390727Z",
"structure_string": "Na4 Ti2 Te2 O12\n1.0\n5.208169 0.000000 0.000000\n-2.604085 4.510407 0.000000\n0.000000 0.000000 10.370707\nNa O Te Ti\n4 12 2 2\ndirect\n0.666667 0.333333 0.041040 Na\n0.666667 0.333333 0.458960 Na\n0.333333 0.666667 0.541040 Na\n0.333333 0.666667 0.958960 Na\n0.279125 0.330382 0.143155 O\n0.051257 0.720875 0.143155 O\n0.669618 0.948743 0.143155 O\n0.051257 0.330382 0.356845 O\n0.669618 0.720875 0.356845 O\n0.279125 0.948743 0.356845 O\n0.720875 0.051257 0.643155 O\n0.330382 0.279125 0.643155 O\n0.948743 0.669618 0.643155 O\n0.330382 0.051257 0.856845 O\n0.948743 0.279125 0.856845 O\n0.720875 0.669618 0.856845 O\n0.000000 0.000000 0.250000 Te\n0.000000 0.000000 0.750000 Te\n0.333333 0.666667 0.250000 Ti\n0.666667 0.333333 0.750000 Ti\n",
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{
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"structure_string": "Sr4 Yb2 As2 O12\n1.0\n5.679402 0.000000 0.000000\n0.000000 5.680099 0.000000\n-5.659347 0.000000 8.027290\nAs O Sr Yb\n2 12 4 2\ndirect\n0.500000 0.000000 0.000000 As\n0.500000 0.500000 0.500000 As\n0.274303 0.207061 0.022127 O\n0.317976 0.751274 0.023517 O\n0.771175 0.006239 0.227194 O\n0.228825 0.506239 0.272806 O\n0.682024 0.251274 0.476483 O\n0.725697 0.707061 0.477873 O\n0.274303 0.292939 0.522127 O\n0.317976 0.748726 0.523517 O\n0.771175 0.493761 0.727194 O\n0.228825 0.993761 0.772806 O\n0.682024 0.248726 0.976483 O\n0.725697 0.792939 0.977873 O\n0.747004 0.484530 0.249642 Sr\n0.252996 0.984530 0.250358 Sr\n0.747004 0.015470 0.749642 Sr\n0.252996 0.515470 0.750358 Sr\n0.000000 0.500000 0.000000 Yb\n0.000000 0.000000 0.500000 Yb\n",
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{
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"updated_at": "2022-09-04T16:03:17.384276Z",
"structure_string": "K2 H8 Pd2\n1.0\n-2.709775 2.709775 4.299881\n2.709775 -2.709775 4.299881\n2.709775 2.709775 -4.299881\nH K Pd\n8 2 2\ndirect\n0.425067 0.174610 0.140254 H\n0.924610 0.284356 0.249543 H\n0.825390 0.965644 0.250457 H\n0.324933 0.075390 0.359746 H\n0.715644 0.965188 0.640254 H\n0.715188 0.574933 0.749543 H\n0.034812 0.675067 0.750457 H\n0.034356 0.284812 0.859746 H\n0.500000 0.500000 0.000000 K\n0.250000 0.750000 0.500000 K\n0.000000 0.000000 0.000000 Pd\n0.750000 0.250000 0.500000 Pd\n",
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"volume": 126.29405025960791,
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{
"id": "oqmd-1708070",
"created_at": "2022-09-04T16:03:17.382854Z",
"updated_at": "2022-09-04T16:03:17.382890Z",
"structure_string": "Y4 Mn2 Pd2 O12\n1.0\n5.328984 0.000000 0.000000\n0.000000 5.729195 0.000000\n-5.256653 0.000000 7.672044\nMn O Pd Y\n2 12 2 4\ndirect\n0.500000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.876340 0.193003 0.060279 O\n0.748169 0.691972 0.061416 O\n0.373206 0.547061 0.248585 O\n0.626794 0.047061 0.251415 O\n0.251831 0.191972 0.438584 O\n0.123660 0.693003 0.439721 O\n0.876340 0.306997 0.560279 O\n0.748169 0.808028 0.561416 O\n0.373206 0.952939 0.748585 O\n0.626794 0.452939 0.751415 O\n0.251831 0.308028 0.938584 O\n0.123660 0.806997 0.939721 O\n0.000000 0.500000 0.000000 Pd\n0.000000 0.000000 0.500000 Pd\n0.226617 0.923484 0.249854 Y\n0.773383 0.423484 0.250146 Y\n0.226617 0.576516 0.749854 Y\n0.773383 0.076516 0.750146 Y\n",
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{
"id": "oqmd-1752747",
"created_at": "2022-09-04T16:03:17.380748Z",
"updated_at": "2022-09-04T16:03:17.380772Z",
"structure_string": "Cr2 Pb2 O8\n1.0\n-2.601418 2.601418 6.104582\n2.601418 -2.601418 6.104582\n2.601418 2.601418 -6.104582\nCr O Pb\n2 8 2\ndirect\n0.000000 0.000000 0.000000 Cr\n0.750000 0.250000 0.500000 Cr\n0.162840 0.805943 0.120735 O\n0.555943 0.935207 0.143103 O\n0.194057 0.314793 0.356897 O\n0.587160 0.444057 0.379265 O\n0.064793 0.207896 0.620735 O\n0.957896 0.837160 0.643103 O\n0.792104 0.412840 0.856897 O\n0.685207 0.042104 0.879265 O\n0.500000 0.500000 0.000000 Pb\n0.250000 0.750000 0.500000 Pb\n",
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"spacegroup": 88
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{
"id": "oqmd-1714305",
"created_at": "2022-09-04T16:03:17.378585Z",
"updated_at": "2022-09-04T16:03:17.378607Z",
"structure_string": "Tb1 Ni2 Sb1 O6\n1.0\n0.000000 4.114269 4.114269\n4.114269 0.000000 4.114269\n4.114269 4.114269 0.000000\nNi O Sb Tb\n2 6 1 1\ndirect\n0.250000 0.250000 0.250000 Ni\n0.750000 0.750000 0.750000 Ni\n0.762681 0.237319 0.237319 O\n0.237319 0.762681 0.237319 O\n0.762681 0.762681 0.237319 O\n0.762681 0.237319 0.762681 O\n0.237319 0.762681 0.762681 O\n0.237319 0.237319 0.762681 O\n0.000000 0.000000 0.000000 Sb\n0.500000 0.500000 0.500000 Tb\n",
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"formula_full": "Tb1 Ni2 Sb1 O6",
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{
"id": "oqmd-1752730",
"created_at": "2022-09-04T16:03:17.378125Z",
"updated_at": "2022-09-04T16:03:17.378147Z",
"structure_string": "Al2 Tl2 H8\n1.0\n-2.619907 2.619907 6.116124\n2.619907 -2.619907 6.116124\n2.619907 2.619907 -6.116124\nAl H Tl\n2 8 2\ndirect\n0.500000 0.500000 0.000000 Al\n0.250000 0.750000 0.500000 Al\n0.477069 0.813912 0.138503 H\n0.088566 0.727069 0.163157 H\n0.661434 0.522931 0.336843 H\n0.272931 0.436088 0.361497 H\n0.074591 0.911434 0.638503 H\n0.186088 0.324591 0.663157 H\n0.563912 0.925409 0.836843 H\n0.675409 0.338566 0.861497 H\n0.000000 0.000000 0.000000 Tl\n0.750000 0.250000 0.500000 Tl\n",
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{
"id": "oqmd-1741338",
"created_at": "2022-09-04T16:03:17.377791Z",
"updated_at": "2022-09-04T16:03:17.377811Z",
"structure_string": "Sr1 Cd2 Fe1 H8\n1.0\n4.592874 0.000000 0.000000\n-2.296437 3.977546 0.000000\n0.000000 0.000000 6.440109\nCd Fe H Sr\n2 1 8 1\ndirect\n0.666667 0.333333 0.150892 Cd\n0.333333 0.666667 0.849108 Cd\n0.000000 0.000000 0.000000 Fe\n0.154678 0.309355 0.152903 H\n0.154678 0.845322 0.152903 H\n0.690645 0.845322 0.152903 H\n0.666667 0.333333 0.447407 H\n0.333333 0.666667 0.552593 H\n0.309355 0.154678 0.847097 H\n0.845322 0.154678 0.847097 H\n0.845322 0.690645 0.847097 H\n0.000000 0.000000 0.500000 Sr\n",
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{
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"updated_at": "2022-09-04T16:03:17.377749Z",
"structure_string": "Mn4 S2 N4\n1.0\n3.177424 0.000000 0.000000\n-1.588712 2.751730 0.000000\n0.000000 0.000000 11.483175\nMn N S\n4 4 2\ndirect\n0.666667 0.333333 0.104415 Mn\n0.666667 0.333333 0.395585 Mn\n0.333333 0.666667 0.604415 Mn\n0.333333 0.666667 0.895585 Mn\n0.333333 0.666667 0.061770 N\n0.333333 0.666667 0.438230 N\n0.666667 0.333333 0.561770 N\n0.666667 0.333333 0.938230 N\n0.000000 0.000000 0.250000 S\n0.000000 0.000000 0.750000 S\n",
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{
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"created_at": "2022-09-04T16:03:17.374485Z",
"updated_at": "2022-09-04T16:03:17.374506Z",
"structure_string": "Rb4 Ga4 Se12\n1.0\n7.736022 0.000000 0.000000\n0.000000 12.922290 0.000000\n-1.757651 0.000000 6.651945\nGa Rb Se\n4 4 12\ndirect\n0.680301 0.226258 0.150621 Ga\n0.319699 0.726258 0.349379 Ga\n0.680301 0.273742 0.650621 Ga\n0.319699 0.773742 0.849379 Ga\n0.252593 0.079509 0.229694 Rb\n0.747407 0.579509 0.270306 Rb\n0.252593 0.420491 0.729694 Rb\n0.747407 0.920491 0.770306 Rb\n0.947932 0.324543 0.138742 Se\n0.202423 0.573933 0.147068 Se\n0.501401 0.827157 0.174247 Se\n0.498599 0.327157 0.325753 Se\n0.797577 0.073933 0.352932 Se\n0.052068 0.824543 0.361258 Se\n0.947932 0.175457 0.638742 Se\n0.202423 0.926067 0.647068 Se\n0.501401 0.672843 0.674247 Se\n0.498599 0.172843 0.825753 Se\n0.797577 0.426067 0.852932 Se\n0.052068 0.675457 0.861258 Se\n",
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{
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"created_at": "2022-09-04T16:03:17.372478Z",
"updated_at": "2022-09-04T16:03:17.372499Z",
"structure_string": "Cs2 Na1 Co3 F12\n1.0\n3.463354 1.999568 5.783879\n-3.463354 1.999568 5.783879\n0.000000 -3.999136 5.783879\nCo Cs F Na\n3 2 12 1\ndirect\n0.500000 0.000000 0.000000 Co\n0.000000 0.500000 0.000000 Co\n0.000000 0.000000 0.500000 Co\n0.382071 0.382071 0.382071 Cs\n0.617929 0.617929 0.617929 Cs\n0.619288 0.097519 0.097519 F\n0.097519 0.619288 0.097519 F\n0.692329 0.692329 0.097927 F\n0.902073 0.307671 0.307671 F\n0.307671 0.902073 0.307671 F\n0.902481 0.902481 0.380712 F\n0.097519 0.097519 0.619288 F\n0.692329 0.097927 0.692329 F\n0.097927 0.692329 0.692329 F\n0.307671 0.307671 0.902073 F\n0.902481 0.380712 0.902481 F\n0.380712 0.902481 0.902481 F\n0.000000 0.000000 0.000000 Na\n",
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{
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"created_at": "2022-09-04T16:03:17.368417Z",
"updated_at": "2022-09-04T16:03:17.368435Z",
"structure_string": "Pr4 Mg2 Ru2 O12\n1.0\n5.484832 0.000000 0.000000\n0.000000 5.660594 0.000000\n-5.464270 0.000000 7.825888\nMg O Pr Ru\n2 12 4 2\ndirect\n0.500000 0.500000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.750606 0.796252 0.045754 O\n0.847341 0.291293 0.048071 O\n0.337517 0.978823 0.248542 O\n0.662483 0.478823 0.251458 O\n0.152659 0.791293 0.451929 O\n0.249394 0.296252 0.454246 O\n0.750606 0.703748 0.545754 O\n0.847341 0.208707 0.548071 O\n0.337517 0.521177 0.748542 O\n0.662483 0.021177 0.751458 O\n0.152659 0.708707 0.951929 O\n0.249394 0.203748 0.954246 O\n0.763483 0.056611 0.249955 Pr\n0.236517 0.556611 0.250045 Pr\n0.763483 0.443389 0.749955 Pr\n0.236517 0.943389 0.750045 Pr\n0.000000 0.000000 0.000000 Ru\n0.000000 0.500000 0.500000 Ru\n",
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}
]
}