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{
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{
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{
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{
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"structure_string": "Te8 Mo4\n1.0\n3.486878 0.000000 0.000000\n0.000000 6.366192 0.000000\n0.000000 0.647806 15.534420\nTe Mo\n8 4\ndirect\n0.750000 0.580968 0.905099 Te\n0.250000 0.419032 0.094901 Te\n0.250000 0.091377 0.866754 Te\n0.750000 0.908623 0.133246 Te\n0.250000 0.563990 0.633273 Te\n0.750000 0.436010 0.366727 Te\n0.750000 0.061579 0.594747 Te\n0.250000 0.938421 0.405253 Te\n0.750000 0.181739 0.993521 Mo\n0.250000 0.818261 0.006479 Mo\n0.250000 0.319672 0.493490 Mo\n0.750000 0.680328 0.506509 Mo\n",
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{
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"structure_string": "Nb12\n1.0\n5.374343 0.000000 0.000000\n-1.516425 6.770262 0.000000\n-2.292508 -2.725628 6.234305\nNb\n12\ndirect\n0.069490 0.140393 0.503316 Nb\n0.509667 0.212573 0.340606 Nb\n0.072719 0.731441 0.133756 Nb\n0.046112 0.405816 0.262338 Nb\n0.024193 0.983918 0.882255 Nb\n0.596368 0.925967 0.050041 Nb\n0.683872 0.720414 0.393695 Nb\n0.054694 0.564241 0.697763 Nb\n0.553340 0.563811 0.699148 Nb\n0.428080 0.395001 0.998307 Nb\n0.771339 0.251176 0.789395 Nb\n0.336504 0.880067 0.604147 Nb\n",
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{
"id": "mp-9901",
"created_at": "2022-09-04T14:48:26.112522Z",
"structure_string": "Sc6 Co4 Si6\n1.0\n1.963037 -4.967497 0.000000\n1.963037 4.967497 0.000000\n0.000000 0.000000 12.802442\nSc Co Si\n6 4 6\ndirect\n0.857025 0.142975 0.750000 Sc\n0.579864 0.420136 0.613107 Sc\n0.579864 0.420136 0.886893 Sc\n0.420136 0.579864 0.113107 Sc\n0.142975 0.857025 0.250000 Sc\n0.420136 0.579864 0.386893 Sc\n0.284734 0.715266 0.583166 Co\n0.715266 0.284734 0.083166 Co\n0.284734 0.715266 0.916834 Co\n0.715266 0.284734 0.416834 Co\n0.836058 0.163942 0.250000 Si\n0.113645 0.886355 0.459230 Si\n0.113645 0.886355 0.040770 Si\n0.886355 0.113645 0.540770 Si\n0.163942 0.836058 0.750000 Si\n0.886355 0.113645 0.959230 Si\n",
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{
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"created_at": "2022-09-04T14:48:26.112091Z",
"structure_string": "Np16 Se24\n1.0\n18.363656 0.012505 12.993908\n6.125387 6.125387 0.000000\n0.000000 0.000000 8.662605\nNp Se\n16 24\ndirect\n0.997708 0.384243 0.251893 Np\n0.997708 0.122634 0.754985 Np\n0.081793 0.627309 0.377309 Np\n0.166667 0.250000 0.632244 Np\n0.335625 0.377366 0.248107 Np\n0.251540 0.872691 0.122691 Np\n0.166667 0.750000 0.867756 Np\n0.335625 0.115757 0.745015 Np\n0.497708 0.254985 0.622634 Np\n0.666667 0.367756 0.250000 Np\n0.581793 0.877309 0.127309 Np\n0.497708 0.751893 0.884243 Np\n0.666667 0.132244 0.750000 Np\n0.751540 0.622691 0.372691 Np\n0.835625 0.245015 0.615757 Np\n0.835625 0.748107 0.877366 Np\n0.120493 0.492967 0.996919 Se\n0.051252 0.346728 0.498789 Se\n0.282081 0.153272 0.152545 Se\n0.051252 0.999517 0.347455 Se\n0.282081 0.500483 0.001211 Se\n0.212840 0.007033 0.858400 Se\n0.120493 0.645552 0.641600 Se\n0.212840 0.854448 0.503081 Se\n0.448666 0.499373 0.998436 Se\n0.384668 0.344432 0.500627 Se\n0.620493 0.141600 0.145552 Se\n0.384668 0.001564 0.345370 Se\n0.620493 0.496919 0.992967 Se\n0.551252 0.998789 0.846728 Se\n0.448666 0.654630 0.655567 Se\n0.551252 0.847455 0.499517 Se\n0.782081 0.501211 0.000483 Se\n0.712840 0.358400 0.507033 Se\n0.948666 0.155567 0.154630 Se\n0.712840 0.003081 0.354448 Se\n0.948666 0.498435 -0.000627 Se\n0.884668 0.000627 0.844433 Se\n0.782081 0.652545 0.653272 Se\n0.884668 0.845370 0.501564 Se\n",
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{
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{
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{
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"structure_string": "Cr2 Co4 O12\n1.0\n2.509346 -4.259895 0.000000\n2.509346 4.259895 0.000000\n0.000000 0.000000 9.719329\nCr Co O\n2 4 12\ndirect\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.500000 Cr\n0.833948 0.166052 0.500000 Co\n0.666052 0.333948 0.000000 Co\n0.333948 0.666052 0.000000 Co\n0.166052 0.833948 0.500000 Co\n0.661162 0.997902 0.097358 O\n0.338838 0.002098 0.902642 O\n0.497902 0.161162 0.402642 O\n0.838838 0.502098 0.597358 O\n0.157603 0.157603 0.598415 O\n0.342397 0.342397 0.098415 O\n0.657603 0.657603 0.901585 O\n0.002098 0.338838 0.902642 O\n0.842397 0.842397 0.401585 O\n0.161162 0.497902 0.402642 O\n0.502098 0.838838 0.597358 O\n0.997902 0.661162 0.097358 O\n",
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},
{
"id": "mp-1233204",
"created_at": "2022-09-04T14:48:26.094809Z",
"structure_string": "Mg1 Cr3 S6 O24\n1.0\n8.518871 -0.345525 -0.236338\n4.503245 7.237558 -0.236760\n4.504072 2.383488 6.838021\nMg Cr S O\n1 3 6 24\ndirect\n0.999402 0.999427 0.999485 Mg\n0.146086 0.145980 0.145932 Cr\n0.638665 0.638584 0.638660 Cr\n0.854958 0.854996 0.854954 Cr\n0.041199 0.754104 0.449038 S\n0.449197 0.041226 0.754052 S\n0.754137 0.449064 0.041101 S\n0.254168 0.548233 0.959886 S\n0.548030 0.959782 0.254298 S\n0.959830 0.254218 0.548259 S\n0.106925 0.314191 0.513395 O\n0.313958 0.513267 0.107102 O\n0.026433 0.934529 0.268278 O\n0.512817 0.107027 0.314237 O\n0.996287 0.819552 0.604317 O\n0.230355 0.619727 0.412367 O\n0.412586 0.230384 0.619628 O\n0.268400 0.026418 0.934428 O\n0.619850 0.412235 0.230334 O\n0.077698 0.735180 0.952549 O\n0.196216 0.394723 0.987621 O\n0.394689 0.987467 0.196199 O\n0.604369 0.996445 0.819556 O\n0.819479 0.604383 0.996143 O\n0.934639 0.268341 0.026228 O\n0.393918 0.584912 0.761398 O\n0.735082 0.952500 0.077857 O\n0.584680 0.761352 0.394024 O\n0.761392 0.393929 0.584804 O\n0.987816 0.196178 0.394712 O\n0.490880 0.886796 0.691480 O\n0.952465 0.077775 0.735228 O\n0.691526 0.490474 0.886875 O\n0.886824 0.691557 0.490535 O\n",
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"nelements": 4,
"elements": [
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],
"chemical_system": "Cr-Mg-O-S",
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"formula_full": "Mg1 Cr3 S6 O24",
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"updated_at": "2021-11-28T01:39:06.725000Z",
"spacegroup": 146
},
{
"id": "mp-1226835",
"created_at": "2022-09-04T14:48:26.093763Z",
"structure_string": "Ce4 Al6 Ru2\n1.0\n2.785558 -4.824727 0.000000\n2.785558 4.824727 0.000000\n0.000000 0.000000 8.774832\nCe Al Ru\n4 6 2\ndirect\n0.333333 0.666667 0.938112 Ce\n0.666667 0.333333 0.061888 Ce\n0.666667 0.333333 0.438112 Ce\n0.333333 0.666667 0.561888 Ce\n0.837404 0.162596 0.750000 Al\n0.837404 0.674808 0.750000 Al\n0.325192 0.162596 0.750000 Al\n0.162596 0.837404 0.250000 Al\n0.162596 0.325192 0.250000 Al\n0.674808 0.837404 0.250000 Al\n0.000000 0.000000 0.000000 Ru\n0.000000 0.000000 0.500000 Ru\n",
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"elements": [
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"Ru"
],
"chemical_system": "Al-Ce-Ru",
"density": 6.50877227975892,
"density_atomic": 0.050877702313778465,
"volume": 235.85970777517238,
"volume_molar": 11.836502998621288,
"formula_full": "Ce4 Al6 Ru2",
"formula_reduced": "Ce2Al3Ru",
"formula_anonymous": "AB2C3",
"energy": -71.05590783,
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"updated_at": "2021-11-28T01:39:42.219000Z",
"spacegroup": 194
}
]
}