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{
"id": "jvasp-109649",
"created_at": "2022-09-04T14:38:27.843867Z",
"updated_at": "2022-09-04T14:38:27.843876Z",
"structure_string": "Zn2 Ga1 Se4\n1.0\n5.067794 -0.018907 -4.413418\n-1.062149 4.955274 -4.413418\n0.015342 0.018907 6.720161\nZn Ga Se\n2 1 4\ndirect\n0.249999 0.750000 0.499999 Zn\n0.749999 0.250000 0.499999 Zn\n0.000000 0.000000 0.000000 Ga\n0.847018 0.382121 -0.000002 Se\n0.382121 0.847018 -0.000001 Se\n0.617877 0.617878 0.464895 Se\n0.152981 0.152981 0.535104 Se\n",
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{
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"structure_string": "Zn2 Ga1 Cu1 Te4\n1.0\n5.594157 0.004401 -4.984575\n-1.121645 5.480559 -4.984575\n-0.003589 -0.004401 7.492701\nZn Ga Cu Te\n2 1 1 4\ndirect\n0.750000 0.250000 0.500001 Zn\n0.250001 0.750000 0.500001 Zn\n0.500001 0.500000 0.000001 Ga\n0.000000 0.000000 0.000000 Cu\n0.367781 0.367780 0.489896 Te\n0.122115 0.632220 0.000001 Te\n0.877887 0.877885 0.510107 Te\n0.632220 0.122114 0.000001 Te\n",
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{
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"created_at": "2022-09-04T14:37:13.558421Z",
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"structure_string": "Zn2 Ga1 Cu1 Se4\n1.0\n5.195031 -0.005353 -4.616770\n-1.051427 5.087522 -4.616770\n0.004364 0.005353 6.950029\nZn Ga Cu Se\n2 1 1 4\ndirect\n0.749999 0.250000 0.500000 Zn\n0.249999 0.750000 0.499999 Zn\n0.500000 0.500000 -0.000000 Ga\n0.000000 0.000000 0.000000 Cu\n0.125587 0.125588 0.496315 Se\n0.874412 0.370728 0.000000 Se\n0.629272 0.629273 0.503684 Se\n0.370727 0.874412 -0.000000 Se\n",
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{
"id": "jvasp-110121",
"created_at": "2022-09-04T14:38:05.848929Z",
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"structure_string": "Zn2 Ga1 Cu1 Se4\n1.0\n4.016557 0.005590 12.750041\n1.965435 3.502831 12.750041\n0.009531 0.005590 13.367729\nZn Ga Cu Se\n2 1 1 4\ndirect\n0.497072 0.497071 0.497070 Zn\n0.746445 0.746443 0.746442 Zn\n0.249978 0.249977 0.249977 Ga\n0.007246 0.007246 0.007246 Cu\n0.941352 0.941351 0.941349 Se\n0.186752 0.186752 0.186751 Se\n0.436025 0.436024 0.436023 Se\n0.685137 0.685136 0.685135 Se\n",
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"formula_full": "Zn2 Ga1 Cu1 Se4",
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{
"id": "jvasp-106296",
"created_at": "2022-09-04T14:37:47.987724Z",
"updated_at": "2022-09-04T14:37:47.987756Z",
"structure_string": "Zn2 Ga1 Ag1 Se4\n1.0\n5.320239 -0.011771 -4.575674\n-1.127997 5.199299 -4.575674\n0.009513 0.011771 7.017238\nZn Ga Ag Se\n2 1 1 4\ndirect\n0.249999 0.750000 0.500000 Zn\n0.750000 0.250000 0.500000 Zn\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.000000 Ag\n0.892481 0.364958 0.000001 Se\n0.364957 0.892481 0.000001 Se\n0.635042 0.635042 0.527524 Se\n0.107519 0.107519 0.472477 Se\n",
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{
"id": "jvasp-58479",
"created_at": "2022-09-04T14:36:59.519674Z",
"updated_at": "2022-09-04T14:36:59.519695Z",
"structure_string": "Zn2 Fe4 S8\n1.0\n6.056659 -0.000000 -3.179823\n-1.669447 5.822034 -3.179823\n-0.279618 -0.371066 6.825425\nZn Fe S\n2 4 8\ndirect\n0.374999 0.624999 0.750000 Zn\n0.625000 0.375000 0.250000 Zn\n-0.000000 -0.000000 0.500000 Fe\n-0.000000 0.500000 -0.000000 Fe\n0.500000 -0.000000 0.500000 Fe\n0.000000 0.000000 0.000000 Fe\n0.763810 0.791350 0.527620 S\n0.763730 0.236189 0.972381 S\n0.208649 0.236189 0.972381 S\n0.236189 0.208649 0.472381 S\n0.236189 0.763730 0.472380 S\n0.236268 0.763810 0.027620 S\n0.763810 0.236269 0.527620 S\n0.791350 0.763810 0.027620 S\n",
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"volume": 226.38584768871402,
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{
"id": "jvasp-12217",
"created_at": "2022-09-04T14:38:10.809650Z",
"updated_at": "2022-09-04T14:38:10.809674Z",
"structure_string": "Zn2 Fe4 O8\n1.0\n5.002616 0.000000 2.888261\n1.667538 4.716511 2.888261\n0.000000 0.000000 5.776523\nZn Fe O\n2 4 8\ndirect\n0.875001 0.875000 0.874999 Zn\n0.125000 0.125000 0.125000 Zn\n0.500001 0.500000 0.499999 Fe\n0.500000 -0.000000 0.499999 Fe\n0.000000 0.500000 0.500000 Fe\n0.500001 0.500000 -0.000000 Fe\n0.736637 0.290091 0.736635 O\n0.736637 0.736636 0.736635 O\n0.263364 0.263364 0.709909 O\n0.263364 0.709909 0.263363 O\n0.263364 0.263364 0.263363 O\n0.736637 0.736636 0.290090 O\n0.290091 0.736636 0.736635 O\n0.709910 0.263364 0.263363 O\n",
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{
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"created_at": "2022-09-04T14:38:36.077885Z",
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"structure_string": "Zn2 Fe4 O8\n1.0\n5.909034 -0.131841 -0.093226\n2.840339 4.919611 -0.000000\n2.840339 1.639871 4.638253\nZn Fe O\n2 4 8\ndirect\n0.012096 -0.004032 -0.004032 Zn\n0.111200 0.629600 0.629599 Zn\n0.256850 0.247717 0.247717 Fe\n0.626837 0.137398 0.617882 Fe\n0.626837 0.617883 0.137397 Fe\n0.626837 0.617883 0.617882 Fe\n0.396649 0.375409 0.375408 O\n0.396649 0.375409 0.852531 O\n0.396649 0.852532 0.375408 O\n0.870244 0.376586 0.376584 O\n0.418897 0.860368 0.860367 O\n0.836753 0.409654 0.876796 O\n0.836753 0.876797 0.409652 O\n0.836753 0.876797 0.876796 O\n",
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{
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"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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"structure_string": "Zn2 Fe4 O8\n1.0\n5.776870 -0.002268 -0.001757\n-2.885553 5.003640 -0.001136\n-2.887003 -1.664117 4.718120\nZn Fe O\n2 4 8\ndirect\n0.749997 0.874998 0.125001 Zn\n0.250003 0.125000 0.874997 Zn\n0.500000 -0.000001 0.500000 Fe\n-0.000000 0.500000 -0.000000 Fe\n0.500000 0.499999 0.499999 Fe\n-0.000000 0.499999 0.500000 Fe\n0.526787 0.263388 0.290090 O\n0.973208 0.263306 0.736590 O\n0.526798 0.263404 0.736696 O\n0.026797 0.290095 0.263390 O\n0.473201 0.736594 0.263302 O\n0.026791 0.736693 0.263409 O\n0.973202 0.709903 0.736609 O\n0.473212 0.736611 0.709908 O\n",
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