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{
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{
"id": "mp-1225456",
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"structure_string": "Er1 Ti1 Fe11 N1\n1.0\n0.000000 0.000000 4.777524\n-4.309147 4.273705 2.388762\n-4.309147 -4.273705 -2.388762\nEr Ti Fe N\n1 1 11 1\ndirect\n0.006732 0.993268 0.006732 Er\n0.635015 0.364985 0.635015 Ti\n0.725829 0.774171 0.225829 Fe\n0.277445 0.222555 0.777445 Fe\n0.497388 0.780001 0.774777 Fe\n0.497388 0.225223 0.219999 Fe\n0.499961 0.997472 0.498579 Fe\n0.001146 0.997472 0.498579 Fe\n0.499961 0.501421 0.002528 Fe\n0.001146 0.501421 0.002528 Fe\n0.356984 0.643016 0.356984 Fe\n0.999822 0.359121 0.358764 Fe\n0.999822 0.641236 0.640879 Fe\n0.501361 0.998639 0.001361 N\n",
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{
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{
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"structure_string": "Er12 Nb8 Al86\n1.0\n5.557773 -9.626345 0.000000\n5.557773 9.626345 0.000000\n0.000000 0.000000 17.706464\nEr Nb Al\n12 8 86\ndirect\n0.530289 0.000000 0.596153 Er\n0.469711 0.000000 0.403847 Er\n0.000000 0.530289 0.596153 Er\n0.469711 0.000000 0.096153 Er\n0.000000 0.530289 0.903847 Er\n0.000000 0.469711 0.403847 Er\n0.530289 0.000000 0.903847 Er\n0.000000 0.469711 0.096153 Er\n0.469711 0.469711 0.596153 Er\n0.530289 0.530289 0.403847 Er\n0.530289 0.530289 0.096153 Er\n0.469711 0.469711 0.903847 Er\n0.000000 0.000000 0.500000 Nb\n0.000000 0.000000 0.000000 Nb\n0.725587 0.000000 0.750000 Nb\n0.274413 0.000000 0.250000 Nb\n0.000000 0.725587 0.750000 Nb\n0.000000 0.274413 0.250000 Nb\n0.274413 0.274413 0.750000 Nb\n0.725587 0.725587 0.250000 Nb\n0.149952 0.595545 0.750000 Al\n0.850048 0.404455 0.250000 Al\n0.404455 0.554407 0.750000 Al\n0.595545 0.149952 0.750000 Al\n0.595545 0.445593 0.250000 Al\n0.404455 0.850048 0.250000 Al\n0.445593 0.850048 0.750000 Al\n0.554407 0.404455 0.750000 Al\n0.554407 0.149952 0.250000 Al\n0.445593 0.595545 0.250000 Al\n0.850048 0.445593 0.750000 Al\n0.149952 0.554407 0.250000 Al\n0.159124 0.000000 0.115248 Al\n0.840876 0.000000 0.884752 Al\n0.000000 0.159124 0.115248 Al\n0.840876 0.000000 0.615248 Al\n0.000000 0.159124 0.384752 Al\n0.000000 0.840876 0.884752 Al\n0.159124 0.000000 0.384752 Al\n0.000000 0.840876 0.615248 Al\n0.840876 0.840876 0.115248 Al\n0.159124 0.159124 0.884752 Al\n0.159124 0.159124 0.615248 Al\n0.840876 0.840876 0.384752 Al\n0.247222 0.494443 0.500000 Al\n0.752778 0.505557 0.500000 Al\n0.505557 0.752778 0.500000 Al\n0.752778 0.505557 0.000000 Al\n0.494443 0.247222 0.000000 Al\n0.494443 0.247222 0.500000 Al\n0.247222 0.494443 0.000000 Al\n0.505557 0.752778 0.000000 Al\n0.247222 0.752778 0.500000 Al\n0.752778 0.247222 0.500000 Al\n0.752778 0.247222 0.000000 Al\n0.247222 0.752778 0.000000 Al\n0.147116 0.000000 0.750000 Al\n0.852884 0.000000 0.250000 Al\n0.000000 0.147116 0.750000 Al\n0.000000 0.852884 0.250000 Al\n0.852884 0.852884 0.750000 Al\n0.147116 0.147116 0.250000 Al\n0.333333 0.666667 0.626263 Al\n0.666667 0.333333 0.373737 Al\n0.666667 0.333333 0.126263 Al\n0.666667 0.333333 0.873737 Al\n0.333333 0.666667 0.873737 Al\n0.333333 0.666667 0.126263 Al\n0.333333 0.666667 0.373737 Al\n0.666667 0.333333 0.626263 Al\n0.256909 0.000000 0.530285 Al\n0.743091 0.000000 0.469715 Al\n0.000000 0.256909 0.530285 Al\n0.743091 0.000000 0.030285 Al\n0.000000 0.256909 0.969715 Al\n0.000000 0.743091 0.469715 Al\n0.256909 0.000000 0.969715 Al\n0.000000 0.743091 0.030285 Al\n0.743091 0.743091 0.530285 Al\n0.256909 0.256909 0.469715 Al\n0.256909 0.256909 0.030285 Al\n0.743091 0.743091 0.969715 Al\n0.156765 0.394434 0.663483 Al\n0.843235 0.605566 0.336517 Al\n0.605566 0.762330 0.663483 Al\n0.843235 0.605566 0.163483 Al\n0.394434 0.156765 0.836517 Al\n0.394434 0.237670 0.336517 Al\n0.156765 0.394434 0.836517 Al\n0.605566 0.843235 0.163483 Al\n0.237670 0.843235 0.663483 Al\n0.394434 0.237670 0.163483 Al\n0.762330 0.605566 0.836517 Al\n0.762330 0.156765 0.336517 Al\n0.605566 0.762330 0.836517 Al\n0.237670 0.394434 0.163483 Al\n0.605566 0.843235 0.336517 Al\n0.394434 0.156765 0.663483 Al\n0.762330 0.156765 0.163483 Al\n0.237670 0.394434 0.336517 Al\n0.237670 0.843235 0.836517 Al\n0.762330 0.605566 0.663483 Al\n0.843235 0.237670 0.836517 Al\n0.156765 0.762330 0.163483 Al\n0.156765 0.762330 0.336517 Al\n0.843235 0.237670 0.663483 Al\n",
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"volume": 1894.6284891202313,
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"formula_full": "Er12 Nb8 Al86",
"formula_reduced": "Er6Nb4Al43",
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"spacegroup": 193
},
{
"id": "mp-561",
"created_at": "2022-09-04T14:39:05.514308Z",
"structure_string": "Nb6 Se8\n1.0\n5.086905 -8.810778 0.000000\n5.086905 8.810778 0.000000\n0.000000 0.000000 3.483239\nNb Se\n6 8\ndirect\n0.512656 0.892349 0.750000 Nb\n0.620307 0.512656 0.250000 Nb\n0.892349 0.379693 0.250000 Nb\n0.107651 0.620307 0.750000 Nb\n0.379693 0.487344 0.750000 Nb\n0.487344 0.107651 0.250000 Nb\n0.657847 0.719383 0.750000 Se\n0.938465 0.657847 0.250000 Se\n0.719383 0.061535 0.250000 Se\n0.280617 0.938465 0.750000 Se\n0.061535 0.342153 0.750000 Se\n0.342153 0.280617 0.250000 Se\n0.666667 0.333333 0.750000 Se\n0.333333 0.666667 0.250000 Se\n",
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"formula_full": "Nb6 Se8",
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{
"id": "mp-1214753",
"created_at": "2022-09-04T14:39:05.519923Z",
"structure_string": "Au2 S4\n1.0\n5.396146 0.000000 0.000000\n0.000000 5.396146 0.000000\n0.000000 0.000000 5.396146\nAu S\n2 4\ndirect\n0.000000 0.000000 0.000000 Au\n0.500000 0.500000 0.500000 Au\n0.250000 0.250000 0.250000 S\n0.750000 0.750000 0.250000 S\n0.750000 0.250000 0.750000 S\n0.250000 0.750000 0.750000 S\n",
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{
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"structure_string": "Tb1 Y1 Hg2\n1.0\n0.000000 3.741292 3.741292\n3.741292 0.000000 3.741292\n3.741292 3.741292 0.000000\nTb Y Hg\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Tb\n0.000000 0.000000 0.000000 Y\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n",
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{
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"created_at": "2022-09-04T14:39:05.524906Z",
"structure_string": "Ca2 Mg12 Sb2\n1.0\n5.415906 0.000000 0.000000\n0.000000 6.292153 0.000000\n0.000000 0.000000 11.657814\nCa Mg Sb\n2 12 2\ndirect\n0.500000 0.000000 0.169532 Ca\n0.500000 0.500000 0.669532 Ca\n0.500000 0.248770 0.417475 Mg\n0.500000 0.751230 0.417475 Mg\n0.000000 0.746417 0.078809 Mg\n0.000000 0.253583 0.078809 Mg\n0.000000 0.000000 0.338071 Mg\n0.000000 0.500000 0.335576 Mg\n0.500000 0.748770 0.917475 Mg\n0.500000 0.251230 0.917475 Mg\n0.000000 0.246417 0.578809 Mg\n0.000000 0.753583 0.578809 Mg\n0.000000 0.500000 0.838071 Mg\n0.000000 0.000000 0.835576 Mg\n0.500000 0.500000 0.164250 Sb\n0.500000 0.000000 0.664250 Sb\n",
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{
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{
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{
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},
{
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}