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{
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{
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{
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{
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{
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"structure_string": "Ag8 Mo12 Se4 O48\n1.0\n11.267938 0.000000 0.000000\n0.000000 7.502153 0.000000\n0.000000 4.181759 12.680451\nAg Mo Se O\n8 12 4 48\ndirect\n0.071361 0.256266 0.180808 Ag\n0.928639 0.743734 0.819192 Ag\n0.601125 0.784576 0.810034 Ag\n0.398875 0.215424 0.189966 Ag\n0.428639 0.256266 0.680808 Ag\n0.101125 0.215424 0.689966 Ag\n0.898875 0.784576 0.310034 Ag\n0.571361 0.743734 0.319192 Ag\n0.752277 0.797497 0.057156 Mo\n0.917442 0.209159 0.941774 Mo\n0.582558 0.209159 0.441774 Mo\n0.247723 0.202503 0.942844 Mo\n0.917486 0.203668 0.430718 Mo\n0.082514 0.796332 0.569282 Mo\n0.417486 0.796332 0.069282 Mo\n0.747723 0.797497 0.557156 Mo\n0.417442 0.790841 0.558226 Mo\n0.252277 0.202503 0.442844 Mo\n0.582514 0.203668 0.930718 Mo\n0.082558 0.790841 0.058226 Mo\n0.807541 0.149340 0.692061 Se\n0.192459 0.850660 0.307939 Se\n0.692459 0.149340 0.192061 Se\n0.307541 0.850660 0.807939 Se\n0.415995 0.862683 0.185330 O\n0.417405 0.133568 0.966840 O\n0.404607 0.912940 0.700964 O\n0.748418 0.122979 0.463580 O\n0.082595 0.133568 0.466840 O\n0.269265 0.078809 0.808505 O\n0.917265 0.425304 0.843549 O\n0.914114 0.212178 0.592825 O\n0.745220 0.584142 0.654798 O\n0.414114 0.787822 0.907175 O\n0.585886 0.212178 0.092825 O\n0.230735 0.078809 0.308505 O\n0.417265 0.574696 0.656451 O\n0.735398 0.734513 0.440803 O\n0.730735 0.921191 0.191495 O\n0.426581 0.721058 0.445192 O\n0.082735 0.574696 0.156451 O\n0.751582 0.122979 0.963580 O\n0.904607 0.087060 0.799036 O\n0.084005 0.862683 0.685330 O\n0.235398 0.265487 0.059197 O\n0.264602 0.265487 0.559197 O\n0.917405 0.866432 0.533160 O\n0.582735 0.425304 0.343549 O\n0.915618 0.445732 0.380353 O\n0.764602 0.734513 0.940803 O\n0.254780 0.415858 0.345202 O\n0.248418 0.877021 0.036420 O\n0.419527 0.113704 0.445600 O\n0.245220 0.415858 0.845202 O\n0.415618 0.554268 0.119647 O\n0.251582 0.877021 0.536420 O\n0.084382 0.554268 0.619647 O\n0.085886 0.787822 0.407175 O\n0.073419 0.721058 0.945192 O\n0.595393 0.087060 0.299036 O\n0.919527 0.886296 0.054400 O\n0.754780 0.584142 0.154798 O\n0.926581 0.278942 0.054808 O\n0.584005 0.137317 0.814670 O\n0.080473 0.113704 0.945600 O\n0.582595 0.866432 0.033160 O\n0.095393 0.912940 0.200964 O\n0.584382 0.445732 0.880353 O\n0.580473 0.886296 0.554400 O\n0.915995 0.137317 0.314670 O\n0.573419 0.278942 0.554808 O\n0.769265 0.921191 0.691495 O\n",
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"formula_full": "Ag8 Mo12 Se4 O48",
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{
"id": "mp-707201",
"created_at": "2022-09-04T14:43:18.426996Z",
"structure_string": "Cu8 H20 S2 O24\n1.0\n7.630313 0.000000 -0.053606\n0.000000 6.021209 0.000000\n-0.086186 0.000000 11.586872\nCu H S O\n8 20 2 24\ndirect\n0.987831 0.000672 0.004806 Cu\n0.987831 0.999328 0.504806 Cu\n0.989229 0.502023 0.005946 Cu\n0.989229 0.497977 0.505946 Cu\n0.985484 0.751737 0.756391 Cu\n0.985484 0.248263 0.256391 Cu\n0.988860 0.265344 0.751606 Cu\n0.988860 0.734656 0.251606 Cu\n0.250623 0.244007 0.528375 H\n0.250623 0.755993 0.028375 H\n0.231188 0.623034 0.627065 H\n0.231188 0.376966 0.127065 H\n0.733837 0.730679 0.465906 H\n0.733837 0.269321 0.965906 H\n0.222266 0.995117 0.854168 H\n0.222266 0.004883 0.354168 H\n0.754320 0.997449 0.667079 H\n0.754320 0.002551 0.167079 H\n0.235106 0.495544 0.841259 H\n0.235106 0.504456 0.341259 H\n0.652339 0.608490 0.872689 H\n0.652339 0.391510 0.372689 H\n0.642128 0.847194 0.922844 H\n0.642128 0.152806 0.422844 H\n0.481401 0.265041 0.781470 H\n0.481401 0.734959 0.281470 H\n0.515233 0.483553 0.714451 H\n0.515233 0.516447 0.214451 H\n0.451554 0.835267 0.581576 S\n0.451554 0.164733 0.081576 S\n0.504054 0.968026 0.681816 O\n0.504054 0.031974 0.181816 O\n0.243838 0.776789 0.598675 O\n0.243838 0.223211 0.098675 O\n0.537177 0.617759 0.575059 O\n0.537177 0.382241 0.075059 O\n0.451692 0.039286 0.972750 O\n0.451692 0.960714 0.472750 O\n0.133831 0.251131 0.561547 O\n0.133831 0.748869 0.061547 O\n0.909234 0.485239 0.161373 O\n0.909234 0.514761 0.661373 O\n0.855460 0.746387 0.441697 O\n0.855460 0.253613 0.941697 O\n0.094270 0.002115 0.845667 O\n0.094270 0.997885 0.345667 O\n0.883688 0.994093 0.164069 O\n0.883688 0.005907 0.664069 O\n0.105589 0.493855 0.348159 O\n0.105589 0.506145 0.848159 O\n0.726412 0.734644 0.897372 O\n0.726412 0.265356 0.397372 O\n0.475155 0.426732 0.789884 O\n0.475155 0.573268 0.289884 O\n",
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{
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{
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{
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"formula_full": "V4 Sb8 N4 Cl56",
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"updated_at": "2021-11-28T01:36:06.008000Z",
"spacegroup": 14
},
{
"id": "mp-23052",
"created_at": "2022-09-04T14:43:14.349360Z",
"structure_string": "Zr2 I2 N2\n1.0\n3.772296 0.000000 0.000000\n0.000000 4.162897 0.000000\n0.000000 0.000000 9.882078\nZr I N\n2 2 2\ndirect\n0.000000 0.500000 0.913486 Zr\n0.500000 0.000000 0.086514 Zr\n0.500000 0.500000 0.678513 I\n0.000000 0.000000 0.321487 I\n0.000000 0.000000 0.975507 N\n0.500000 0.500000 0.024493 N\n",
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"elements": [
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"chemical_system": "I-N-Zr",
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"formula_full": "Zr2 I2 N2",
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},
{
"id": "mp-1205470",
"created_at": "2022-09-04T14:43:19.356527Z",
"structure_string": "Ca4 Hg4 H64 Br16 O32\n1.0\n6.345213 -9.156253 0.000000\n6.345213 9.156253 0.000000\n0.000000 0.000000 13.992930\nCa Hg H Br O\n4 4 64 16 32\ndirect\n0.752494 0.247506 0.500000 Ca\n0.252494 0.747506 0.000000 Ca\n0.247506 0.752494 0.500000 Ca\n0.747506 0.252494 0.000000 Ca\n0.757261 0.757261 0.196032 Hg\n0.242739 0.242739 0.803968 Hg\n0.742739 0.742739 0.696032 Hg\n0.257261 0.257261 0.303968 Hg\n0.573344 0.946785 0.526705 H\n0.053215 0.426656 0.473295 H\n0.553215 0.926656 0.026705 H\n0.073344 0.446785 0.973295 H\n0.426656 0.053215 0.473295 H\n0.946785 0.573344 0.526705 H\n0.446785 0.073344 0.973295 H\n0.926656 0.553215 0.026705 H\n0.641866 0.009781 0.618876 H\n0.990219 0.358134 0.381124 H\n0.490219 0.858134 0.118876 H\n0.141866 0.509781 0.881124 H\n0.358134 0.990219 0.381124 H\n0.009781 0.641866 0.618876 H\n0.509781 0.141866 0.881124 H\n0.858134 0.490219 0.118876 H\n0.473159 0.234413 0.560462 H\n0.765587 0.526841 0.439538 H\n0.265587 0.026841 0.060462 H\n0.973159 0.734413 0.939538 H\n0.526841 0.765587 0.439538 H\n0.234413 0.473159 0.560462 H\n0.734413 0.973159 0.939538 H\n0.026841 0.265587 0.060462 H\n0.500665 0.298221 0.458782 H\n0.701779 0.499335 0.541218 H\n0.201779 0.999335 0.958782 H\n0.000665 0.798221 0.041218 H\n0.499335 0.701779 0.541218 H\n0.298221 0.500665 0.458782 H\n0.798221 0.000665 0.041218 H\n0.999335 0.201779 0.958782 H\n0.758844 0.388585 0.701217 H\n0.611415 0.241156 0.298783 H\n0.111415 0.741156 0.201217 H\n0.258844 0.888585 0.798783 H\n0.241156 0.611415 0.298783 H\n0.388585 0.758844 0.701217 H\n0.888585 0.258844 0.798783 H\n0.741156 0.111415 0.201217 H\n0.629730 0.276913 0.697282 H\n0.723087 0.370270 0.302718 H\n0.223087 0.870270 0.197282 H\n0.129730 0.776913 0.802718 H\n0.370270 0.723087 0.302718 H\n0.276913 0.629730 0.697282 H\n0.776913 0.129730 0.802718 H\n0.870270 0.223087 0.197282 H\n0.788466 0.032220 0.371611 H\n0.967780 0.211534 0.628389 H\n0.467780 0.711534 0.871611 H\n0.288466 0.532220 0.128389 H\n0.211534 0.967780 0.628389 H\n0.032220 0.788466 0.371611 H\n0.532220 0.288466 0.128389 H\n0.711534 0.467780 0.871611 H\n0.924534 0.119680 0.407929 H\n0.880320 0.075466 0.592071 H\n0.380320 0.575466 0.907929 H\n0.424534 0.619680 0.092071 H\n0.075466 0.880320 0.592071 H\n0.119680 0.924534 0.407929 H\n0.619680 0.424534 0.092071 H\n0.575466 0.380320 0.907929 H\n0.868287 0.603662 0.279045 Br\n0.396338 0.131713 0.720955 Br\n0.896338 0.631713 0.779045 Br\n0.368287 0.103662 0.220955 Br\n0.131713 0.396338 0.720955 Br\n0.603662 0.868287 0.279045 Br\n0.103662 0.368287 0.220955 Br\n0.631713 0.896338 0.779045 Br\n0.962610 0.962610 0.152873 Br\n0.037390 0.037390 0.847127 Br\n0.537390 0.537390 0.652873 Br\n0.462610 0.462610 0.347127 Br\n0.636857 0.636857 0.042100 Br\n0.363143 0.363143 0.957900 Br\n0.863143 0.863143 0.542100 Br\n0.136857 0.136857 0.457900 Br\n0.621306 0.031202 0.554703 O\n0.968798 0.378694 0.445297 O\n0.468798 0.878694 0.054703 O\n0.121306 0.531202 0.945297 O\n0.378694 0.968798 0.445297 O\n0.031202 0.621306 0.554703 O\n0.531202 0.121306 0.945297 O\n0.878694 0.468798 0.054703 O\n0.513941 0.230650 0.498860 O\n0.769350 0.486059 0.501140 O\n0.269350 0.986059 0.998860 O\n0.013941 0.730650 0.001140 O\n0.486059 0.769350 0.501140 O\n0.230650 0.513941 0.498860 O\n0.730650 0.013941 0.001140 O\n0.986059 0.269350 0.998860 O\n0.815432 0.210183 0.838298 O\n0.789817 0.184568 0.161702 O\n0.289817 0.684568 0.338298 O\n0.315432 0.710183 0.661702 O\n0.184568 0.789817 0.161702 O\n0.210183 0.815432 0.838298 O\n0.710183 0.315432 0.661702 O\n0.684568 0.289817 0.338298 O\n0.839492 0.120615 0.388927 O\n0.879385 0.160508 0.611073 O\n0.379385 0.660508 0.888927 O\n0.339492 0.620615 0.111073 O\n0.160508 0.879385 0.611073 O\n0.120615 0.839492 0.388927 O\n0.620615 0.339492 0.111073 O\n0.660508 0.379385 0.888927 O\n",
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],
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"formula_full": "Ca4 Hg4 H64 Br16 O32",
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}
]
}