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{
"id": "mp-1225438",
"created_at": "2022-09-04T14:45:06.419201Z",
"structure_string": "Dy2 Ge3\n1.0\n2.204032 -3.817496 0.000000\n2.204032 3.817496 0.000000\n0.000000 0.000000 7.042633\nDy Ge\n2 3\ndirect\n0.000000 0.000000 0.730230 Dy\n0.000000 0.000000 0.269770 Dy\n0.333333 0.666667 0.000000 Ge\n0.666667 0.333333 0.500000 Ge\n0.666667 0.333333 0.000000 Ge\n",
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{
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"structure_string": "Yb2 Nd2 O4\n1.0\n-2.453833 2.453833 4.920715\n2.453833 -2.453833 4.920715\n2.453833 2.453833 -4.920715\nYb Nd O\n2 2 4\ndirect\n0.750000 0.250000 0.500000 Yb\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.000000 Nd\n0.250000 0.750000 0.500000 Nd\n0.991966 0.491966 0.500000 O\n0.508034 0.008034 0.500000 O\n0.758034 0.758034 0.000000 O\n0.241966 0.241966 0.000000 O\n",
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},
{
"id": "mp-753056",
"created_at": "2022-09-04T14:42:56.804164Z",
"structure_string": "Ho2 B2 O6\n1.0\n2.053224 -3.348762 0.000000\n2.053224 3.348762 0.000000\n0.000000 0.000000 8.618539\nHo B O\n2 2 6\ndirect\n0.053749 0.053749 0.000000 Ho\n0.053749 0.053749 0.500000 Ho\n0.501321 0.758858 0.250000 B\n0.758858 0.501321 0.750000 B\n0.333209 0.674024 0.103049 O\n0.333209 0.674024 0.396951 O\n0.893097 0.962740 0.250000 O\n0.674024 0.333209 0.603049 O\n0.674024 0.333209 0.896951 O\n0.962740 0.893097 0.750000 O\n",
"nsites": 10,
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"volume": 118.51798572341875,
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"formula_full": "Ho2 B2 O6",
"formula_reduced": "HoBO3",
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"spacegroup": 40
},
{
"id": "mp-762163",
"created_at": "2022-09-04T14:42:09.440676Z",
"structure_string": "Li3 Ti1 Mn2 O6\n1.0\n0.000015 -1.548271 2.531430\n-3.430518 -4.145592 -2.535765\n6.312841 -3.077647 -0.143249\nLi Ti Mn O\n3 1 2 6\ndirect\n0.333237 0.833380 0.333525 Li\n0.993550 0.507714 0.012944 Li\n0.673126 0.158818 0.653707 Li\n0.333078 0.333345 0.333850 Ti\n0.664392 0.674929 0.671195 Mn\n0.002354 0.992054 0.995320 Mn\n0.482830 0.244610 0.034250 O\n0.184072 0.421176 0.631923 O\n0.168435 0.907272 0.662964 O\n0.498128 0.760199 0.003926 O\n0.837495 0.555491 0.324989 O\n0.829301 0.111009 0.341410 O\n",
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"volume": 118.5206184648257,
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"formula_full": "Li3 Ti1 Mn2 O6",
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},
{
"id": "mp-1182923",
"created_at": "2022-09-04T14:44:14.915613Z",
"structure_string": "Al4 O6\n1.0\n4.652837 3.080891 8.706347\n-1.867285 2.881519 3.833469\n-3.249002 -3.909528 -3.021786\nAl O\n4 6\ndirect\n0.072749 0.250318 0.814773 Al\n0.927251 0.749682 0.185227 Al\n0.257976 0.750318 0.185227 Al\n0.742024 0.249682 0.814773 Al\n0.180622 0.781645 0.787936 O\n0.042642 0.250000 0.085284 O\n0.607313 0.718355 0.787936 O\n0.819378 0.218355 0.212064 O\n0.957358 0.750000 0.914716 O\n0.392687 0.281645 0.212064 O\n",
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"volume": 118.52959256780662,
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"formula_full": "Al4 O6",
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"updated_at": "2021-11-28T01:36:36.743000Z",
"spacegroup": 15
},
{
"id": "mp-1094422",
"created_at": "2022-09-04T14:40:07.428061Z",
"structure_string": "Mg4 Zn2\n1.0\n1.550096 -7.818296 0.000000\n1.550096 7.818296 0.000000\n0.000000 0.000000 4.890197\nMg Zn\n4 2\ndirect\n0.098702 0.901298 0.250000 Mg\n0.784089 0.215911 0.250000 Mg\n0.215911 0.784089 0.750000 Mg\n0.901298 0.098702 0.750000 Mg\n0.445544 0.554456 0.250000 Zn\n0.554456 0.445544 0.750000 Zn\n",
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"formula_full": "Mg4 Zn2",
"formula_reduced": "Mg2Zn",
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"spacegroup": 63
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{
"id": "mp-1221489",
"created_at": "2022-09-04T14:46:30.702081Z",
"structure_string": "Mo6 C4\n1.0\n1.536388 -2.661101 0.000000\n1.536388 2.661101 0.000000\n0.000000 0.000000 14.496023\nMo C\n6 4\ndirect\n0.000000 0.000000 0.246319 Mo\n0.000000 0.000000 0.753681 Mo\n0.333333 0.666667 0.406959 Mo\n0.666667 0.333333 0.593041 Mo\n0.666667 0.333333 0.917094 Mo\n0.333333 0.666667 0.082906 Mo\n0.666667 0.333333 0.320053 C\n0.333333 0.666667 0.679947 C\n0.000000 0.000000 0.500000 C\n0.000000 0.000000 0.000000 C\n",
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"formula_full": "Mo6 C4",
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"spacegroup": 164
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{
"id": "mp-1183503",
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"structure_string": "Ca2 Hg1 Bi1\n1.0\n0.000000 3.898930 3.898930\n3.898930 0.000000 3.898930\n3.898930 3.898930 0.000000\nCa Hg Bi\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Ca\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.500000 Bi\n",
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{
"id": "mp-1045062",
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"structure_string": "Zn2 Mo1 W1 O6\n1.0\n5.021493 -2.676218 0.000000\n5.021493 2.676218 0.000000\n3.595196 0.000000 4.410453\nZn Mo W O\n2 1 1 6\ndirect\n0.265972 0.265972 0.265972 Zn\n0.775041 0.775041 0.775041 Zn\n0.498435 0.498435 0.498435 Mo\n0.999475 0.999475 0.999475 W\n0.098366 0.752556 0.377989 O\n0.900952 0.216964 0.620997 O\n0.752556 0.377989 0.098366 O\n0.377989 0.098366 0.752556 O\n0.620997 0.900952 0.216964 O\n0.216964 0.620997 0.900952 O\n",
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{
"id": "mp-1094664",
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"structure_string": "Mg2 Al2\n1.0\n2.494266 -4.320196 0.000000\n2.494266 4.320196 0.000000\n0.000000 0.000000 5.501044\nMg Al\n2 2\ndirect\n0.333333 0.666667 0.250000 Mg\n0.666667 0.333333 0.750000 Mg\n0.333333 0.666667 0.750000 Al\n0.666667 0.333333 0.250000 Al\n",
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{
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"created_at": "2022-09-04T14:40:25.860345Z",
"structure_string": "Th1 Ti2 O6\n1.0\n1.923423 4.981861 0.000000\n-1.923423 4.981861 0.000000\n0.000000 3.472061 6.186407\nTh Ti O\n1 2 6\ndirect\n0.000000 0.000000 0.000000 Th\n0.176702 0.176702 0.392642 Ti\n0.823298 0.823298 0.607358 Ti\n0.721803 0.721803 0.404331 O\n0.278197 0.278197 0.595669 O\n0.345736 0.345736 0.108908 O\n0.975030 0.975030 0.689753 O\n0.024970 0.024970 0.310247 O\n0.654264 0.654264 0.891092 O\n",
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"volume": 118.55910037766012,
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"formula_full": "Th1 Ti2 O6",
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{
"id": "mp-1225743",
"created_at": "2022-09-04T14:43:59.837304Z",
"structure_string": "Cu6 Ge1 Sb1\n1.0\n-2.125908 -3.682320 0.000000\n-4.251817 0.000000 0.000000\n0.000000 0.000000 -7.572836\nCu Ge Sb\n6 1 1\ndirect\n0.000005 0.999998 0.750000 Cu\n0.000038 0.999981 0.250000 Cu\n0.333332 0.333334 0.073235 Cu\n0.666654 0.666673 0.908155 Cu\n0.666654 0.666673 0.591845 Cu\n0.333332 0.333334 0.426765 Cu\n0.333334 0.333333 0.750000 Ge\n0.666650 0.666675 0.250000 Sb\n",
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"formula_full": "Cu6 Ge1 Sb1",
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}
]
}