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{
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{
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{
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{
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"structure_string": "Ca8 Ta4 Cr4 O24\n1.0\n4.478975 0.000451 -3.140859\n4.494851 5.589856 6.377467\n4.493682 -5.588833 6.377395\nCa Ta Cr O\n8 4 4 24\ndirect\n0.010455 0.353251 0.898340 Ca\n0.010452 0.853243 0.398351 Ca\n0.989552 0.646758 0.101657 Ca\n0.989554 0.146749 0.601655 Ca\n0.489533 0.601673 0.646744 Ca\n0.489539 0.101663 0.146746 Ca\n0.510476 0.398332 0.353264 Ca\n0.510471 0.898321 0.853270 Ca\n0.000003 0.999992 0.000009 Ta\n0.000003 0.499997 0.500002 Ta\n0.499999 0.500010 0.999993 Ta\n0.500006 0.000000 0.500000 Ta\n0.000006 0.750010 0.749998 Cr\n0.499954 0.750034 0.249919 Cr\n0.999907 0.250000 0.249984 Cr\n0.500052 0.249976 0.749998 Cr\n0.913476 0.136967 0.111741 O\n0.913486 0.636970 0.611745 O\n0.086524 0.863036 0.888271 O\n0.086527 0.363024 0.388257 O\n0.586524 0.388271 0.863010 O\n0.586535 0.888281 0.363015 O\n0.413478 0.611718 0.136989 O\n0.413464 0.111710 0.636991 O\n0.204585 0.378242 0.668452 O\n0.204574 0.878250 0.168439 O\n0.795419 0.621758 0.331556 O\n0.795422 0.121757 0.831555 O\n0.295455 0.331588 0.121750 O\n0.295454 0.831590 0.621750 O\n0.704551 0.668411 0.878256 O\n0.704571 0.168415 0.378252 O\n0.292479 0.124778 0.918930 O\n0.292465 0.624774 0.418938 O\n0.707535 0.875216 0.081081 O\n0.707524 0.375216 0.581080 O\n0.207503 0.581069 0.875194 O\n0.207490 0.081086 0.375180 O\n0.792499 0.418933 0.124819 O\n0.792498 0.918927 0.624819 O\n",
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"elements": [
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],
"chemical_system": "Ca-Cr-O-Ta",
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"formula_full": "Ca8 Ta4 Cr4 O24",
"formula_reduced": "Ca2TaCrO6",
"formula_anonymous": "ABC2D6",
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"total_magnetization": 3.9e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:21.522000Z",
"spacegroup": 14
},
{
"id": "mp-19480",
"created_at": "2022-09-04T14:40:32.952616Z",
"structure_string": "Sm4 Tl4 Mo8 O32\n1.0\n5.203197 0.000000 0.000000\n0.000000 8.262565 0.000000\n0.000000 0.000000 19.419947\nSm Tl Mo O\n4 4 8 32\ndirect\n0.500000 0.750000 0.504246 Sm\n0.000000 0.250000 0.995754 Sm\n0.500000 0.250000 0.495754 Sm\n0.000000 0.750000 0.004246 Sm\n0.000000 0.750000 0.773483 Tl\n0.500000 0.250000 0.726517 Tl\n0.000000 0.250000 0.226517 Tl\n0.500000 0.750000 0.273483 Tl\n0.479250 0.510288 0.900614 Mo\n0.979250 0.489712 0.599386 Mo\n0.020750 0.010288 0.599386 Mo\n0.520750 0.989712 0.900614 Mo\n0.520750 0.489712 0.099386 Mo\n0.020750 0.510288 0.400614 Mo\n0.979250 0.989712 0.400614 Mo\n0.479250 0.010288 0.099386 Mo\n0.599478 0.515652 0.815904 O\n0.099478 0.484348 0.684096 O\n0.900522 0.015652 0.684096 O\n0.400522 0.984348 0.815904 O\n0.400522 0.484348 0.184096 O\n0.900522 0.515652 0.315904 O\n0.099478 0.984348 0.315904 O\n0.599478 0.015652 0.184096 O\n0.750311 0.497875 0.963206 O\n0.250311 0.502125 0.536794 O\n0.749689 0.997875 0.536794 O\n0.249689 0.002125 0.963206 O\n0.249689 0.502125 0.036794 O\n0.749689 0.497875 0.463206 O\n0.250311 0.002125 0.463206 O\n0.750311 0.997875 0.036794 O\n0.272769 0.836783 0.094512 O\n0.772769 0.163217 0.405488 O\n0.227231 0.336783 0.405488 O\n0.727231 0.663217 0.094512 O\n0.727231 0.163217 0.905488 O\n0.227231 0.836783 0.594512 O\n0.772769 0.663217 0.594512 O\n0.272769 0.336783 0.905488 O\n0.262293 0.181347 0.090428 O\n0.762293 0.818653 0.409572 O\n0.237707 0.681347 0.409572 O\n0.737707 0.318653 0.090428 O\n0.737707 0.818653 0.909572 O\n0.237707 0.181347 0.590428 O\n0.762293 0.318653 0.590428 O\n0.262293 0.681347 0.909572 O\n",
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"elements": [
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],
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"formula_full": "Sm4 Tl4 Mo8 O32",
"formula_reduced": "SmTl(MoO4)2",
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"updated_at": "2021-11-28T01:34:59.898000Z",
"spacegroup": 60
}
]
}