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{
"id": "jvasp-77462",
"created_at": "2022-09-04T14:38:05.162918Z",
"updated_at": "2022-09-04T14:38:05.162943Z",
"structure_string": "Li2 Rh1 Au1\n1.0\n-10.363713 1.835365 -2.870753\n-7.257002 0.888875 0.366043\n-6.417982 3.348580 -1.094152\nLi Rh Au\n2 1 1\ndirect\n0.734801 0.013315 0.013342 Li\n0.265200 0.986686 0.986654 Li\n0.000002 0.999999 -0.000002 Rh\n0.500002 1.000000 -0.000003 Au\n",
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{
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"structure_string": "Zn12 O12\n1.0\n1.520599 -2.633754 0.000000\n1.520599 2.633754 -0.000000\n-0.000000 0.000000 30.343548\nZn O\n12 12\ndirect\n0.333334 0.666667 0.834772 Zn\n0.000000 0.000000 0.000000 Zn\n0.000000 0.000000 0.750000 Zn\n0.000000 0.000000 0.250000 Zn\n0.333334 0.666667 0.082603 Zn\n0.666667 0.333334 0.917397 Zn\n0.000000 0.000000 0.500000 Zn\n0.333334 0.666667 0.417397 Zn\n0.333334 0.666667 0.665228 Zn\n0.666667 0.333334 0.334772 Zn\n0.666667 0.333334 0.165228 Zn\n0.666667 0.333334 0.582603 Zn\n0.000000 0.000000 0.876108 O\n0.000000 0.000000 0.123892 O\n0.333334 0.666667 0.293740 O\n0.666667 0.333334 0.706260 O\n0.666667 0.333334 0.793740 O\n0.333334 0.666667 0.541298 O\n0.666667 0.333334 0.458702 O\n0.666667 0.333334 0.041298 O\n0.333334 0.666667 0.958702 O\n0.000000 0.000000 0.623892 O\n0.333334 0.666667 0.206260 O\n0.000000 0.000000 0.376108 O\n",
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{
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"structure_string": "Sr2 Cu1 C1 N2 O2\n1.0\n3.825920 -0.000000 0.000000\n0.000000 3.825920 -0.000000\n0.000000 0.000000 8.122920\nSr Cu C N O\n2 1 1 2 2\ndirect\n0.500000 0.500000 0.712910 Sr\n0.500000 0.500000 0.287090 Sr\n0.000000 0.000000 0.500000 Cu\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.847001 N\n0.000000 0.000000 0.152999 N\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n",
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"formula_full": "Sr2 Cu1 C1 N2 O2",
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"formula_anonymous": "ABC2D2E2",
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"spacegroup": 123
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{
"id": "jvasp-30333",
"created_at": "2022-09-04T14:38:05.150628Z",
"updated_at": "2022-09-04T14:38:05.150651Z",
"structure_string": "Mn5 Co1 O12\n1.0\n2.469125 4.288980 -0.458940\n-2.496006 4.292144 -0.229470\n-0.404543 -0.702709 8.960788\nMn Co O\n5 1 12\ndirect\n0.166661 0.666678 0.500000 Mn\n0.666665 0.666669 -0.000000 Mn\n0.333334 0.333331 -0.000000 Mn\n0.833340 0.333321 0.500000 Mn\n0.500001 -0.000001 0.500000 Mn\n0.000000 0.000000 0.000000 Co\n-0.034996 0.330827 0.893669 O\n0.365814 -0.000000 0.106327 O\n0.704168 0.330827 0.106332 O\n0.868907 0.666558 0.608136 O\n0.202342 -0.000001 0.608118 O\n0.131093 0.333441 0.391864 O\n0.464534 0.666559 0.391864 O\n0.634187 -0.000001 0.893673 O\n0.295832 0.669172 0.893669 O\n0.034995 0.669172 0.106332 O\n0.535466 0.333440 0.608136 O\n0.797659 -0.000001 0.391882 O\n",
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"density": 4.61091711333135,
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{
"id": "jvasp-45238",
"created_at": "2022-09-04T14:38:05.143192Z",
"updated_at": "2022-09-04T14:38:05.143216Z",
"structure_string": "Li4 Fe3 Co1 O8\n1.0\n5.070396 -0.005557 0.003128\n-0.031055 5.460676 -0.001055\n-0.013624 -0.028888 6.363736\nLi Fe Co O\n4 3 1 8\ndirect\n0.994292 0.083994 0.625880 Li\n0.498934 0.418462 0.123279 Li\n0.994707 0.582287 0.876617 Li\n0.499045 0.915814 0.374612 Li\n0.004677 0.082431 0.122781 Fe\n0.495901 0.414932 0.629761 Fe\n0.998091 0.583444 0.375806 Fe\n0.502989 0.914787 0.870720 Co\n0.366432 0.069497 0.110125 O\n0.390540 0.091780 0.638735 O\n0.885703 0.412017 0.129643 O\n0.874527 0.423110 0.621010 O\n0.374991 0.573065 0.381582 O\n0.390229 0.592215 0.862739 O\n0.887138 0.915174 0.368865 O\n0.868208 0.926989 0.887849 O\n",
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{
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"created_at": "2022-09-04T14:38:05.142701Z",
"updated_at": "2022-09-04T14:38:05.142715Z",
"structure_string": "Li2 Fe1 C2 O6\n1.0\n4.941055 0.154657 0.201127\n-2.673726 -1.213924 -4.469202\n-2.295463 5.419934 -0.099010\nLi Fe C O\n2 1 2 6\ndirect\n0.500001 0.499999 0.500000 Li\n0.500003 0.000000 0.499999 Li\n0.000001 0.000000 -0.000001 Fe\n0.155965 0.577982 0.760116 C\n0.844038 0.422018 0.239883 C\n0.001139 0.710151 0.757663 O\n0.001124 0.290989 0.757663 O\n0.457373 0.728673 0.740557 O\n0.542631 0.271328 0.259442 O\n0.998881 0.709010 0.242336 O\n0.998864 0.289849 0.242336 O\n",
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{
"id": "jvasp-37901",
"created_at": "2022-09-04T14:38:05.141274Z",
"updated_at": "2022-09-04T14:38:05.141296Z",
"structure_string": "Dy3 Ga1\n1.0\n4.669303 -0.000000 -0.000000\n0.000000 4.669303 0.000000\n-0.000000 0.000000 4.669303\nDy Ga\n3 1\ndirect\n0.500000 0.500000 0.000000 Dy\n0.000000 0.500000 0.500000 Dy\n0.500000 0.000000 0.500000 Dy\n0.000000 0.000000 0.000000 Ga\n",
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{
"id": "jvasp-37074",
"created_at": "2022-09-04T14:38:05.140580Z",
"updated_at": "2022-09-04T14:38:05.140606Z",
"structure_string": "Tb2 Ni2\n1.0\n-3.686758 0.000000 0.000000\n0.000000 0.000000 -4.245544\n-1.843379 -5.072297 -0.000000\nTb Ni\n2 2\ndirect\n0.138724 0.749999 0.722552 Tb\n0.861276 0.250000 0.277449 Tb\n0.423962 0.749999 0.152075 Ni\n0.576038 0.250000 0.847925 Ni\n",
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{
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"created_at": "2022-09-04T14:38:05.139937Z",
"updated_at": "2022-09-04T14:38:05.139946Z",
"structure_string": "Sc2 Co1 Ru1\n1.0\n0.000000 3.154743 3.154743\n3.154743 -0.000000 3.154743\n3.154743 3.154743 -0.000000\nSc Co Ru\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.499999 0.499999 0.499999 Sc\n0.250000 0.250000 0.250000 Co\n0.749999 0.749999 0.749999 Ru\n",
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{
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"created_at": "2022-09-04T14:38:05.139484Z",
"updated_at": "2022-09-04T14:38:05.139509Z",
"structure_string": "Li12 Co4 O12\n1.0\n8.563466 -0.000000 0.000000\n-0.000000 8.563466 0.000000\n0.000000 0.000000 3.652422\nLi Co O\n12 4 12\ndirect\n0.365570 0.105257 0.500000 Li\n0.605257 0.134430 0.000000 Li\n0.161424 0.161424 0.000000 Li\n0.661424 0.338576 0.500000 Li\n0.105257 0.365570 0.500000 Li\n0.865570 0.394743 0.000000 Li\n0.134430 0.605257 0.000000 Li\n0.894744 0.634430 0.500000 Li\n0.338576 0.661424 0.500000 Li\n0.838576 0.838576 0.000000 Li\n0.394743 0.865570 0.000000 Li\n0.634430 0.894744 0.500000 Li\n0.118005 0.881996 0.500000 Co\n0.618005 0.618005 0.000000 Co\n0.381996 0.381996 0.000000 Co\n0.881996 0.118005 0.500000 Co\n0.100498 0.100498 0.500000 O\n0.671285 0.112935 0.500000 O\n0.387065 0.171285 0.000000 O\n0.887065 0.328715 0.500000 O\n0.171285 0.387065 0.000000 O\n0.600498 0.399502 0.000000 O\n0.399502 0.600498 0.000000 O\n0.828716 0.612935 0.000000 O\n0.112935 0.671285 0.500000 O\n0.612935 0.828716 0.000000 O\n0.328715 0.887065 0.500000 O\n0.899503 0.899503 0.500000 O\n",
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"structure_string": "K1 Ca1 Br3\n1.0\n5.663488 -0.023008 -0.014217\n-0.005135 5.639005 -0.004383\n-0.012470 0.006875 5.639065\nK Ca Br\n1 1 3\ndirect\n0.929543 0.012628 0.010208 K\n0.520170 0.500574 0.498650 Ca\n0.542891 0.502735 -0.001698 Br\n0.024317 0.493837 0.491973 Br\n0.543080 0.000223 0.500870 Br\n",
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}
]
}