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{
"id": "jvasp-35720",
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{
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"structure_string": "Cr1 Fe2 Se4\n1.0\n3.368546 -0.000936 -0.926711\n-0.743973 5.565914 -2.700433\n-0.008193 -0.030767 6.559767\nCr Fe Se\n1 2 4\ndirect\n0.000000 0.000000 0.000000 Cr\n0.257516 0.306596 0.515450 Fe\n0.742487 0.693402 0.484550 Fe\n0.636371 0.975411 0.272527 Se\n0.889083 0.550375 0.778241 Se\n0.110919 0.449623 0.221759 Se\n0.363631 0.024587 0.727473 Se\n",
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"structure_string": "Cr1 Fe2 Se4\n1.0\n3.256239 0.000202 -0.895657\n-0.735317 5.519786 -2.675336\n0.046555 -0.003896 6.538066\nCr Fe Se\n1 2 4\ndirect\n0.000000 0.000000 0.000000 Cr\n0.258616 0.308829 0.517267 Fe\n0.741381 0.691171 0.482732 Fe\n0.637161 0.974338 0.274225 Se\n0.891338 0.557402 0.782689 Se\n0.108659 0.442598 0.217310 Se\n0.362837 0.025662 0.725774 Se\n",
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"formula_full": "Cr1 Fe2 Se4",
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{
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"created_at": "2022-09-04T14:37:31.520672Z",
"updated_at": "2022-09-04T14:37:31.520692Z",
"structure_string": "Cr1 Fe2 Sb1\n1.0\n2.977608 2.977608 -0.000000\n2.977608 0.000000 -2.977608\n-0.000000 2.977608 -2.977608\nCr Fe Sb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Cr\n0.750001 0.750001 0.750001 Fe\n0.250000 0.250000 0.250000 Fe\n0.500000 0.500000 0.500000 Sb\n",
"nsites": 4,
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"elements": [
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"formula_full": "Cr1 Fe2 Sb1",
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{
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"created_at": "2022-09-04T14:36:52.015758Z",
"updated_at": "2022-09-04T14:36:52.015781Z",
"structure_string": "Cr1 Fe1 Te1\n1.0\n2.933962 2.933962 -0.000000\n2.933962 -0.000000 -2.933962\n-0.000000 2.933962 -2.933962\nCr Fe Te\n1 1 1\ndirect\n0.749999 0.749999 0.749999 Cr\n0.000000 0.000000 0.000000 Fe\n0.250000 0.250000 0.250000 Te\n",
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"elements": [
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{
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"created_at": "2022-09-04T14:36:40.445029Z",
"updated_at": "2022-09-04T14:36:40.445049Z",
"structure_string": "Cr1 Fe1 Sb4\n1.0\n3.271176 -0.000000 0.000000\n0.000000 5.926727 0.008554\n0.000000 0.002393 6.710478\nCr Fe Sb\n1 1 4\ndirect\n0.500001 0.500000 0.500000 Cr\n0.000000 0.000000 0.000000 Fe\n0.500001 0.301244 0.865715 Sb\n0.500001 0.698756 0.134284 Sb\n-0.000000 0.819305 0.651096 Sb\n-0.000000 0.180695 0.348904 Sb\n",
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"formula_full": "Cr1 Fe1 Sb4",
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{
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"created_at": "2022-09-04T14:36:36.313853Z",
"updated_at": "2022-09-04T14:36:36.313873Z",
"structure_string": "Cr1 Fe1 S2\n1.0\n3.304215 0.000000 -0.000000\n-1.652107 2.861534 0.000000\n0.000000 0.000000 5.341495\nCr Fe S\n1 1 2\ndirect\n0.000000 0.000000 0.500000 Cr\n0.000000 0.000000 0.000000 Fe\n0.333332 0.666666 0.237152 S\n0.666666 0.333333 0.762849 S\n",
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"formula_full": "Cr1 Fe1 S2",
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{
"id": "jvasp-100308",
"created_at": "2022-09-04T14:36:21.585695Z",
"updated_at": "2022-09-04T14:36:21.585716Z",
"structure_string": "Cr1 Fe1 Co1 Si1\n1.0\n3.438067 -0.000000 1.984969\n1.146022 3.241441 1.984969\n-0.000000 0.000000 3.969938\nCr Fe Co Si\n1 1 1 1\ndirect\n0.250000 0.250000 0.250000 Cr\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Co\n0.750000 0.750000 0.750001 Si\n",
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"elements": [
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"formula_full": "Cr1 Fe1 Co1 Si1",
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{
"id": "jvasp-86536",
"created_at": "2022-09-04T14:35:53.389634Z",
"updated_at": "2022-09-04T14:35:53.389649Z",
"structure_string": "Cr1 Fe1 Bi2 O6\n1.0\n4.740694 -0.013017 2.674547\n1.555588 4.478173 2.674644\n-0.018582 -0.013224 5.443148\nCr Fe Bi O\n1 1 2 6\ndirect\n0.228519 0.228520 0.228519 Cr\n0.726441 0.726440 0.726441 Fe\n0.495614 0.495616 0.495617 Bi\n-0.003742 -0.003739 -0.003741 Bi\n0.409666 0.545431 0.951361 O\n0.951366 0.409664 0.545433 O\n0.904163 0.455941 0.040601 O\n0.040599 0.904164 0.455944 O\n0.545434 0.951363 0.409662 O\n0.455940 0.040598 0.904166 O\n",
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"volume": 116.00219684705327,
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"formula_full": "Cr1 Fe1 Bi2 O6",
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"formula_anonymous": "ABC2D6",
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{
"id": "jvasp-85937",
"created_at": "2022-09-04T14:35:52.198444Z",
"updated_at": "2022-09-04T14:35:52.198463Z",
"structure_string": "Cr1 Fe1 Bi2 O6\n1.0\n4.740678 -0.013036 2.674457\n1.555575 4.478135 2.674538\n-0.018626 -0.013276 5.443043\nCr Fe Bi O\n1 1 2 6\ndirect\n0.228519 0.228520 0.228518 Cr\n0.726444 0.726441 0.726445 Fe\n0.495614 0.495614 0.495618 Bi\n-0.003751 -0.003747 -0.003751 Bi\n0.409656 0.545434 0.951368 O\n0.951367 0.409657 0.545439 O\n0.904161 0.455941 0.040607 O\n0.040604 0.904161 0.455945 O\n0.545439 0.951362 0.409659 O\n0.455943 0.040604 0.904160 O\n",
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{
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"structure_string": "Cr1 Fe1 As4\n1.0\n2.934723 0.000000 0.000000\n0.000000 5.434228 0.005684\n0.000000 0.000731 6.175918\nCr Fe As\n1 1 4\ndirect\n0.499999 0.500000 0.500000 Cr\n0.000000 0.000000 0.000000 Fe\n0.499999 0.316328 0.871478 As\n0.499999 0.683672 0.128522 As\n0.000000 0.831736 0.643209 As\n0.000000 0.168264 0.356791 As\n",
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"formula_full": "Cr1 Fe1 As4",
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{
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