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{
"id": "jvasp-117396",
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"updated_at": "2022-09-04T14:38:27.294943Z",
"structure_string": "Zn2 Cu2 Si4 O12\n1.0\n6.528099 -0.008921 1.888233\n-0.130080 6.526809 1.888233\n-0.028826 -0.029366 5.278862\nZn Cu Si O\n2 2 4 12\ndirect\n0.763046 0.236954 0.749999 Zn\n0.236954 0.763046 0.249999 Zn\n0.895607 0.104393 0.249999 Cu\n0.104393 0.895607 0.749999 Cu\n0.386594 0.216171 0.243415 Si\n0.783829 0.613406 0.256584 Si\n0.216171 0.386594 0.743415 Si\n0.613406 0.783829 0.756584 Si\n0.790575 0.967661 0.634393 O\n0.032338 0.209424 0.865606 O\n0.137518 0.614930 0.626962 O\n0.385069 0.862482 0.873037 O\n0.862482 0.385070 0.373037 O\n0.677321 0.615816 0.011313 O\n0.322679 0.384183 0.988686 O\n0.615816 0.677321 0.511313 O\n0.209424 0.032339 0.365606 O\n0.384184 0.322679 0.488686 O\n0.614930 0.137518 0.126962 O\n0.967661 0.790576 0.134392 O\n",
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{
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"structure_string": "Zn4 Cu2 Sb2 O12\n1.0\n0.000000 5.349300 -0.038243\n7.541319 0.000000 0.000000\n0.000000 -0.801380 -5.355337\nZn Cu Sb O\n4 2 2 12\ndirect\n0.561695 0.250000 0.529973 Zn\n0.438305 0.750000 0.470027 Zn\n0.017896 0.250000 0.061988 Zn\n0.982104 0.750000 0.938012 Zn\n0.000000 0.500000 0.500000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.500000 -0.000000 Sb\n0.500000 0.000000 -0.000000 Sb\n0.324447 0.441145 0.654931 O\n0.914729 0.250000 0.407820 O\n0.675553 0.941145 0.345069 O\n0.594892 0.750000 0.873519 O\n0.799492 0.074481 0.857686 O\n0.200508 0.925519 0.142314 O\n0.799492 0.425519 0.857686 O\n0.324447 0.058855 0.654931 O\n0.405108 0.250000 0.126481 O\n0.675553 0.558855 0.345069 O\n0.200508 0.574481 0.142314 O\n0.085271 0.750000 0.592181 O\n",
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{
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"created_at": "2022-09-04T14:38:27.108994Z",
"updated_at": "2022-09-04T14:38:27.109014Z",
"structure_string": "Zn1 Cu1 P2 O7\n1.0\n5.234282 -0.040893 1.035708\n-1.254028 5.082007 1.035708\n-0.033770 -0.042771 4.557095\nZn Cu P O\n1 1 2 7\ndirect\n0.318921 0.681079 0.500000 Zn\n0.699429 0.300572 0.500000 Cu\n0.212755 0.203132 0.092016 P\n0.796868 0.787246 0.907984 P\n0.073333 0.369077 0.278964 O\n0.365039 0.045883 0.270103 O\n0.954117 0.634962 0.729896 O\n0.630923 0.926668 0.721036 O\n0.392247 0.371517 0.782123 O\n0.628484 0.607753 0.217876 O\n-0.015316 0.015316 -0.000000 O\n",
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"density": 4.141254196624109,
"density_atomic": 0.0905687985054434,
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{
"id": "jvasp-16859",
"created_at": "2022-09-04T14:38:02.033842Z",
"updated_at": "2022-09-04T14:38:02.033861Z",
"structure_string": "Zn1 Cu2 Ge1 Te4\n1.0\n5.557773 -0.000000 -2.495567\n-1.120566 5.443636 -2.495567\n-0.008922 -0.010946 7.416658\nZn Cu Ge Te\n1 2 1 4\ndirect\n0.000000 0.000000 0.000000 Zn\n0.249999 0.750000 0.500000 Cu\n0.749999 0.250000 0.499999 Cu\n0.499999 0.500000 -0.000001 Ge\n0.382957 0.382958 0.266127 Te\n0.116830 0.617042 0.733873 Te\n0.617042 0.116830 0.733872 Te\n0.883169 0.883170 0.266126 Te\n",
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"formula_full": "Zn1 Cu2 Ge1 Te4",
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{
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"structure_string": "Zn1 Cu2 Ge1 Te4\n1.0\n6.081278 0.000000 0.000000\n-0.000000 6.081278 0.000000\n-3.040640 -3.040640 6.055871\nZn Cu Ge Te\n1 2 1 4\ndirect\n0.750000 0.250000 0.500000 Zn\n0.000000 0.000000 0.000000 Cu\n0.250000 0.750000 0.500000 Cu\n0.500000 0.500000 -0.000000 Ge\n0.623775 0.110861 0.746537 Te\n0.122763 0.635677 0.746537 Te\n0.889139 0.877237 0.253462 Te\n0.364323 0.376225 0.253462 Te\n",
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{
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"created_at": "2022-09-04T14:36:18.849800Z",
"updated_at": "2022-09-04T14:36:18.849827Z",
"structure_string": "Zn1 Cu2 Ge1 Te4\n1.0\n6.091830 -0.000000 0.000000\n-0.000000 6.091830 0.000000\n-3.045916 -3.045916 6.039403\nZn Cu Ge Te\n1 2 1 4\ndirect\n0.000000 0.000000 0.000000 Zn\n0.750000 0.250000 0.500000 Cu\n0.250000 0.750000 0.500000 Cu\n0.500000 0.500000 -0.000000 Ge\n0.883174 0.883174 0.266118 Te\n0.382943 0.382943 0.266118 Te\n0.116825 0.617056 0.733882 Te\n0.617056 0.116825 0.733882 Te\n",
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{
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"created_at": "2022-09-04T14:38:18.823654Z",
"updated_at": "2022-09-04T14:38:18.823670Z",
"structure_string": "Zn1 Cu2 Ge1 Se4\n1.0\n5.144800 -0.000000 -2.329874\n-1.055107 5.035446 -2.329874\n0.033641 0.041421 6.919565\nZn Cu Ge Se\n1 2 1 4\ndirect\n0.000000 0.000000 0.000000 Zn\n0.750000 0.250000 0.500001 Cu\n0.249999 0.750001 0.500001 Cu\n0.500000 0.500000 0.000001 Ge\n0.383381 0.383382 0.259669 Se\n0.123712 0.616619 0.740332 Se\n0.616618 0.123713 0.740332 Se\n0.876287 0.876288 0.259670 Se\n",
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{
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"structure_string": "Zn1 Cu2 Ge1 Se4\n1.0\n5.144827 -0.000000 -2.329887\n-1.055112 5.035473 -2.329887\n0.033679 0.041467 6.919685\nZn Cu Ge Se\n1 2 1 4\ndirect\n0.000000 0.000000 0.000000 Zn\n0.750001 0.250000 0.500000 Cu\n0.250001 0.750000 0.499999 Cu\n0.500000 0.500000 -0.000000 Ge\n0.383385 0.383385 0.259668 Se\n0.123716 0.616615 0.740331 Se\n0.616616 0.123716 0.740331 Se\n0.876285 0.876284 0.259667 Se\n",
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"structure_string": "Zn1 Cu2 Ge1 S4\n1.0\n4.859781 -0.000000 -2.201939\n-0.997687 4.756269 -2.201939\n0.044466 0.054762 6.561988\nZn Cu Ge S\n1 2 1 4\ndirect\n0.000000 0.000000 0.000000 Zn\n0.750000 0.250000 0.500000 Cu\n0.250000 0.750000 0.500000 Cu\n0.500000 0.500000 -0.000000 Ge\n0.870639 0.870640 0.254843 S\n0.615797 0.129360 0.745157 S\n0.384204 0.384203 0.254843 S\n0.129360 0.615797 0.745157 S\n",
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{
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{
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"structure_string": "Zn2 Cu2 Ge4 O12\n1.0\n5.098079 -0.100326 1.033371\n1.224340 6.629853 0.574927\n-0.163011 -0.127959 6.763251\nZn Cu Ge O\n2 2 4 12\ndirect\n0.750000 0.264963 0.735036 Zn\n0.250000 0.735036 0.264964 Zn\n0.750000 0.904996 0.095003 Cu\n0.250000 0.095003 0.904997 Cu\n0.787436 0.392831 0.206639 Ge\n0.712565 0.793360 0.607169 Ge\n0.212565 0.607168 0.793361 Ge\n0.287436 0.206639 0.392831 Ge\n0.622678 0.976937 0.796287 O\n0.877323 0.203713 0.023062 O\n0.615289 0.624940 0.137217 O\n0.884712 0.862783 0.375059 O\n0.384712 0.375058 0.862784 O\n0.911325 0.573475 0.707718 O\n0.088675 0.426524 0.292283 O\n0.411325 0.707717 0.573476 O\n0.122678 0.796286 0.976938 O\n0.588675 0.292282 0.426524 O\n0.115289 0.137216 0.624941 O\n0.377323 0.023062 0.203713 O\n",
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{
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"structure_string": "Zn2 Cu1 As2 O8\n1.0\n-5.143751 0.020185 -0.048735\n2.030860 4.955546 0.030067\n-0.373354 -2.403550 -6.311038\nZn Cu As O\n2 1 2 8\ndirect\n0.766406 0.265736 0.815858 Zn\n0.233593 0.734264 0.184142 Zn\n0.499999 0.500000 0.500000 Cu\n0.134270 0.860662 0.725022 As\n0.865729 0.139338 0.274977 As\n0.731869 0.294105 0.509604 O\n0.268130 0.705895 0.490395 O\n0.634231 0.797597 0.147672 O\n0.365768 0.202403 0.852327 O\n0.909610 0.348063 0.121894 O\n0.813986 0.873384 0.666714 O\n0.186012 0.126616 0.333285 O\n0.090389 0.651937 0.878105 O\n",
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}
]
}