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{
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{
"id": "mp-1079040",
"created_at": "2022-09-04T14:42:20.607461Z",
"structure_string": "Cs2 Dy2 Br6\n1.0\n8.017402 0.000000 0.000000\n0.000000 8.017402 0.000000\n0.000000 0.000000 5.729822\nCs Dy Br\n2 2 6\ndirect\n0.000000 0.500000 0.500000 Cs\n0.500000 0.000000 0.500000 Cs\n0.500000 0.500000 0.000000 Dy\n0.000000 0.000000 0.000000 Dy\n0.500000 0.500000 0.500000 Br\n0.000000 0.000000 0.500000 Br\n0.779557 0.279557 0.000000 Br\n0.220443 0.720443 0.000000 Br\n0.279557 0.220443 0.000000 Br\n0.720443 0.779557 0.000000 Br\n",
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{
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"volume": 371.8080788698567,
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"formula_full": "Lu6 Al6 O18",
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"spacegroup": 63
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{
"id": "mp-1105234",
"created_at": "2022-09-04T14:42:20.484364Z",
"structure_string": "Y2 Cr2 Te2 O12\n1.0\n-2.596399 -4.496047 -0.000093\n-2.595492 4.495523 0.000186\n0.000170 -0.000295 -9.834984\nY Cr Te O\n2 2 2 12\ndirect\n0.000000 0.000000 0.000000 Y\n0.000000 0.000000 0.500000 Y\n0.333013 0.666507 0.250000 Cr\n0.666987 0.333493 0.750000 Cr\n0.333525 0.666762 0.750000 Te\n0.666475 0.333238 0.250000 Te\n0.365339 0.355407 0.139694 O\n0.644476 0.009916 0.139719 O\n0.989933 0.634546 0.139684 O\n0.634661 0.644593 0.860306 O\n0.355524 0.990084 0.860281 O\n0.010067 0.365454 0.860316 O\n0.644476 0.634560 0.360281 O\n0.365339 0.009932 0.360306 O\n0.989933 0.355388 0.360316 O\n0.355524 0.365440 0.639719 O\n0.634661 0.990068 0.639694 O\n0.010067 0.644612 0.639684 O\n",
"nsites": 18,
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],
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"density": 5.273147346474719,
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"volume": 229.56451246934324,
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"formula_full": "Y2 Cr2 Te2 O12",
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"formula_anonymous": "ABCD6",
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{
"id": "mp-775944",
"created_at": "2022-09-04T14:42:20.492758Z",
"structure_string": "Ba2 Ti6 N2 O11\n1.0\n1.977752 7.679693 0.000000\n-1.977752 7.679693 0.000000\n0.000000 1.382791 9.097246\nBa Ti N O\n2 6 2 11\ndirect\n0.452148 0.452148 0.765628 Ba\n0.547852 0.547852 0.234372 Ba\n0.880143 0.880143 0.093250 Ti\n0.824575 0.824575 0.444679 Ti\n0.758116 0.758116 0.763494 Ti\n0.241884 0.241884 0.236506 Ti\n0.175425 0.175425 0.555321 Ti\n0.119857 0.119857 0.906750 Ti\n0.295977 0.295977 0.420879 N\n0.704023 0.704023 0.579121 N\n0.924168 0.924168 0.287366 O\n0.872305 0.872305 0.618469 O\n0.837877 0.837877 0.909413 O\n0.362126 0.362126 0.108826 O\n0.242759 0.242759 0.771738 O\n0.757241 0.757241 0.228262 O\n0.637874 0.637874 0.891174 O\n0.162123 0.162123 0.090587 O\n0.127695 0.127695 0.381531 O\n0.075832 0.075832 0.712634 O\n0.000000 0.000000 0.000000 O\n",
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"formula_full": "Ba2 Ti6 N2 O11",
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"formula_anonymous": "A2B2C6D11",
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"spacegroup": 12
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{
"id": "mp-1371977",
"created_at": "2022-09-04T14:42:20.496444Z",
"structure_string": "Mn4 O8\n1.0\n1.449891 -4.713784 0.000000\n1.449891 4.713784 0.000000\n0.000000 0.000000 9.590060\nMn O\n4 8\ndirect\n0.134927 0.865073 0.423772 Mn\n0.865073 0.134927 0.923772 Mn\n0.865073 0.134927 0.576228 Mn\n0.134927 0.865073 0.076228 Mn\n0.762310 0.237690 0.108239 O\n0.237690 0.762310 0.891760 O\n0.500000 0.500000 0.000000 O\n0.762310 0.237690 0.391760 O\n0.947628 0.052372 0.750000 O\n0.500000 0.500000 0.500000 O\n0.052372 0.947628 0.250000 O\n0.237690 0.762310 0.608240 O\n",
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"formula_full": "Mn4 O8",
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{
"id": "mp-1094850",
"created_at": "2022-09-04T14:42:20.499171Z",
"structure_string": "Mg1 Ga1\n1.0\n1.569364 -2.718217 0.000000\n1.569364 2.718217 0.000000\n0.000000 0.000000 4.687775\nMg Ga\n1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.666667 0.333333 0.500000 Ga\n",
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{
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"structure_string": "Mg3 W1 O4\n1.0\n4.442240 0.000000 0.000000\n0.000000 4.442240 0.000000\n0.000000 0.000000 4.442240\nMg W O\n3 1 4\ndirect\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 W\n0.500000 0.000000 0.000000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n",
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{
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"structure_string": "Gd1 Fe1 C2\n1.0\n2.276582 -2.967856 0.000000\n2.276582 2.967856 0.000000\n0.000000 0.000000 3.701646\nGd Fe C\n1 1 2\ndirect\n0.002848 0.997152 0.000000 Gd\n0.613518 0.386482 0.500000 Fe\n0.453295 0.854661 0.500000 C\n0.145339 0.546705 0.500000 C\n",
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{
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"structure_string": "V3 Fe1 Cu2 P6 O24\n1.0\n7.409267 -4.294307 0.000000\n7.409267 4.294307 0.000000\n4.920346 0.000000 7.009172\nV Fe Cu P O\n3 1 2 6 24\ndirect\n0.642894 0.642894 0.642894 V\n0.857741 0.857741 0.857741 V\n0.357329 0.357329 0.357329 V\n0.142906 0.142906 0.142906 Fe\n0.001296 0.001296 0.001296 Cu\n0.500411 0.500411 0.500411 Cu\n0.540369 0.959008 0.249801 P\n0.249801 0.540369 0.959008 P\n0.959008 0.249801 0.540369 P\n0.039957 0.750117 0.458820 P\n0.750117 0.458820 0.039957 P\n0.458820 0.039957 0.750117 P\n0.305006 0.504546 0.123347 O\n0.123347 0.305006 0.504546 O\n0.504546 0.123347 0.305006 O\n0.735417 0.942524 0.082924 O\n0.380900 0.990422 0.196501 O\n0.561653 0.765497 0.417630 O\n0.082924 0.735417 0.942524 O\n0.417630 0.561653 0.765497 O\n0.004201 0.805568 0.622774 O\n0.765497 0.417630 0.561653 O\n0.053448 0.913277 0.266772 O\n0.805568 0.622774 0.004201 O\n0.196501 0.380900 0.990422 O\n0.942524 0.082924 0.735417 O\n0.233325 0.581585 0.444528 O\n0.990422 0.196501 0.380900 O\n0.581585 0.444528 0.233325 O\n0.913277 0.266772 0.053448 O\n0.444528 0.233325 0.581585 O\n0.622774 0.004201 0.805568 O\n0.266772 0.053448 0.913277 O\n0.499901 0.877668 0.689935 O\n0.877668 0.689935 0.499901 O\n0.689935 0.499901 0.877668 O\n",
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{
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"structure_string": "Tb2 Sb2 Pd2\n1.0\n-2.255632 -5.655532 0.484113\n-4.511262 0.000000 0.000000\n0.000000 0.963678 -5.600389\nTb Sb Pd\n2 2 2\ndirect\n0.748469 0.625765 0.203123 Tb\n0.251531 0.374235 0.796877 Tb\n0.830734 0.084633 0.706642 Sb\n0.169266 0.915367 0.293358 Sb\n0.418716 0.290642 0.311279 Pd\n0.581284 0.709358 0.688721 Pd\n",
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{
"id": "mp-1094790",
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"structure_string": "Sr2 Mg2\n1.0\n2.035092 -3.524882 0.000000\n2.035092 3.524882 0.000000\n0.000000 0.000000 11.109896\nSr Mg\n2 2\ndirect\n0.666667 0.333333 0.161368 Sr\n0.333333 0.666667 0.838632 Sr\n0.333333 0.666667 0.408498 Mg\n0.666667 0.333333 0.591502 Mg\n",
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{
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"is_magnetic": false,
"total_magnetization": 2.1e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:51.475000Z",
"spacegroup": 187
}
]
}