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{
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"formula_full": "Al18 P18 O72",
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{
"id": "mp-1013531",
"created_at": "2022-09-04T14:44:00.000730Z",
"structure_string": "Sr3 Bi1 N1\n1.0\n6.230000 0.000000 0.000000\n0.000000 6.230000 0.000000\n0.000000 0.000000 6.230000\nSr Bi N\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Sr\n0.500000 0.000000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n0.500000 0.500000 0.500000 Bi\n0.000000 0.000000 0.000000 N\n",
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{
"id": "mp-1198917",
"created_at": "2022-09-04T14:44:00.013773Z",
"structure_string": "Zr12 Mn12 Ge24\n1.0\n8.138502 0.000000 0.000000\n0.000000 9.334069 0.000000\n0.000000 0.000000 10.202303\nZr Mn Ge\n12 12 24\ndirect\n0.746155 0.828291 0.047003 Zr\n0.746155 0.171709 0.952997 Zr\n0.253845 0.671709 0.547003 Zr\n0.253845 0.328291 0.452997 Zr\n0.253845 0.171709 0.952997 Zr\n0.253845 0.828291 0.047003 Zr\n0.746155 0.328291 0.452997 Zr\n0.746155 0.671709 0.547003 Zr\n0.500000 0.835524 0.320824 Zr\n0.500000 0.164476 0.679176 Zr\n0.500000 0.664476 0.820824 Zr\n0.500000 0.335524 0.179176 Zr\n0.750415 0.587829 0.247714 Mn\n0.750415 0.412171 0.752286 Mn\n0.249585 0.912171 0.747714 Mn\n0.249585 0.087829 0.252286 Mn\n0.249585 0.412171 0.752286 Mn\n0.249585 0.587829 0.247714 Mn\n0.750415 0.087829 0.252286 Mn\n0.750415 0.912171 0.747714 Mn\n0.745950 0.000000 0.500000 Mn\n0.254050 0.500000 0.000000 Mn\n0.254050 0.000000 0.500000 Mn\n0.745950 0.500000 0.000000 Mn\n0.842706 0.838374 0.318204 Ge\n0.842706 0.161626 0.681796 Ge\n0.157294 0.661626 0.818204 Ge\n0.157294 0.338374 0.181796 Ge\n0.157294 0.161626 0.681796 Ge\n0.157294 0.838374 0.318204 Ge\n0.842706 0.338374 0.181796 Ge\n0.842706 0.661626 0.818204 Ge\n0.500000 0.541551 0.379375 Ge\n0.500000 0.458449 0.620625 Ge\n0.500000 0.958449 0.879375 Ge\n0.500000 0.041551 0.120625 Ge\n0.000000 0.551483 0.380407 Ge\n0.000000 0.448517 0.619593 Ge\n0.000000 0.948517 0.880407 Ge\n0.000000 0.051483 0.119593 Ge\n0.500000 0.630030 0.102870 Ge\n0.500000 0.369970 0.897130 Ge\n0.500000 0.869970 0.602870 Ge\n0.500000 0.130030 0.397130 Ge\n0.000000 0.623836 0.099064 Ge\n0.000000 0.376164 0.900936 Ge\n0.000000 0.876164 0.599064 Ge\n0.000000 0.123836 0.400936 Ge\n",
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{
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{
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{
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"structure_string": "Dy4 Mn4 O12\n1.0\n0.000000 0.000000 3.400136\n6.008605 0.000000 0.000000\n0.000000 12.994380 0.000000\nDy Mn O\n4 4 12\ndirect\n0.755177 0.691633 0.250000 Dy\n0.744823 0.191633 0.250000 Dy\n0.244823 0.308367 0.750000 Dy\n0.255177 0.808367 0.750000 Dy\n0.500000 0.500000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.244989 0.950499 0.250000 O\n0.255011 0.450499 0.250000 O\n0.755011 0.049501 0.750000 O\n0.744989 0.549501 0.750000 O\n0.759971 0.745174 0.078055 O\n0.740029 0.245174 0.421945 O\n0.240029 0.254826 0.578055 O\n0.259971 0.754826 0.921945 O\n0.240029 0.254826 0.921945 O\n0.259971 0.754826 0.578055 O\n0.759971 0.745174 0.421945 O\n0.740029 0.245174 0.078055 O\n",
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],
"chemical_system": "Dy-Mn-O",
"density": 6.641157921993781,
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"formula_full": "Dy4 Mn4 O12",
"formula_reduced": "DyMnO3",
"formula_anonymous": "ABC3",
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"spacegroup": 62
},
{
"id": "mp-1232272",
"created_at": "2022-09-04T14:44:02.892242Z",
"structure_string": "Pm8 Mg4 S16\n1.0\n13.899614 0.000000 0.000000\n0.000000 8.155254 0.000000\n0.000000 0.000000 6.622392\nPm Mg S\n8 4 16\ndirect\n0.000000 0.000000 0.500000 Pm\n0.500000 0.000000 0.000000 Pm\n0.500000 0.500000 0.000000 Pm\n0.000000 0.500000 0.500000 Pm\n0.231056 0.750000 0.998659 Pm\n0.768944 0.250000 0.001341 Pm\n0.268944 0.250000 0.498659 Pm\n0.731056 0.750000 0.501341 Pm\n0.093220 0.250000 0.922239 Mg\n0.906780 0.750000 0.077761 Mg\n0.406780 0.750000 0.422239 Mg\n0.593220 0.250000 0.577761 Mg\n0.168070 0.015391 0.746911 S\n0.831930 0.984609 0.253089 S\n0.331930 0.984609 0.246911 S\n0.668070 0.015391 0.753089 S\n0.668070 0.484609 0.753089 S\n0.331930 0.515391 0.246911 S\n0.831930 0.515391 0.253089 S\n0.168070 0.484609 0.746911 S\n0.067241 0.750000 0.243943 S\n0.932759 0.250000 0.756057 S\n0.432759 0.250000 0.743943 S\n0.567241 0.750000 0.256057 S\n0.092251 0.250000 0.285788 S\n0.907749 0.750000 0.714212 S\n0.407749 0.750000 0.785788 S\n0.592251 0.250000 0.214212 S\n",
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"chemical_system": "Mg-Pm-S",
"density": 3.9158949948630077,
"density_atomic": 0.03729949184417154,
"volume": 750.6804681676999,
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"formula_full": "Pm8 Mg4 S16",
"formula_reduced": "Pm2MgS4",
"formula_anonymous": "AB2C4",
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},
{
"id": "mp-1019361",
"created_at": "2022-09-04T14:44:03.063636Z",
"structure_string": "Th2 Sb2 Te2\n1.0\n4.440860 0.000000 0.000000\n0.000000 4.440860 0.000000\n0.000000 0.000000 9.198323\nTh Sb Te\n2 2 2\ndirect\n0.000000 0.500000 0.735717 Th\n0.500000 0.000000 0.264283 Th\n0.000000 0.000000 0.000000 Sb\n0.500000 0.500000 0.000000 Sb\n0.000000 0.500000 0.370477 Te\n0.500000 0.000000 0.629523 Te\n",
"nsites": 6,
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"elements": [
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],
"chemical_system": "Sb-Te-Th",
"density": 8.81334171170141,
"density_atomic": 0.03307565325804609,
"volume": 181.40231284896606,
"volume_molar": 18.207171036100505,
"formula_full": "Th2 Sb2 Te2",
"formula_reduced": "ThSbTe",
"formula_anonymous": "ABC",
"energy": -36.85791866,
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"updated_at": "2021-11-28T01:36:24.421000Z",
"spacegroup": 129
}
]
}