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{
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"results": [
{
"id": "mp-699146",
"created_at": "2022-09-04T14:47:15.080025Z",
"structure_string": "Mg6 Al2 Fe2 Si6 O24\n1.0\n5.029414 0.000000 0.000000\n0.000000 4.858278 0.000000\n0.000000 0.004881 14.090010\nMg Al Fe Si O\n6 2 2 6 24\ndirect\n0.052066 0.240719 0.243457 Mg\n0.054279 0.237248 0.756610 Mg\n0.554279 0.762752 0.243390 Mg\n0.552066 0.759281 0.756543 Mg\n0.436358 0.736693 0.999458 Mg\n0.936358 0.263307 0.000542 Mg\n0.506069 0.242681 0.629474 Al\n0.006069 0.757319 0.370526 Al\n0.441436 0.729313 0.499782 Fe\n0.941436 0.270687 0.500218 Fe\n0.493190 0.251818 0.876196 Si\n0.493389 0.250989 0.123327 Si\n0.508031 0.240406 0.371364 Si\n0.993190 0.748182 0.123804 Si\n0.008031 0.759594 0.628636 Si\n0.993389 0.749011 0.876673 Si\n0.527719 0.146827 0.999377 O\n0.551459 0.128931 0.496890 O\n0.812847 0.078881 0.346554 O\n0.788457 0.054055 0.149682 O\n0.790091 0.049902 0.849638 O\n0.827791 0.059679 0.652268 O\n0.327791 0.940321 0.347732 O\n0.290091 0.950098 0.150362 O\n0.312847 0.921119 0.653446 O\n0.288457 0.945945 0.850318 O\n0.027719 0.853173 0.000623 O\n0.051459 0.871069 0.503110 O\n0.957843 0.646929 0.243818 O\n0.957949 0.643483 0.751186 O\n0.696013 0.553804 0.903002 O\n0.692689 0.552978 0.096184 O\n0.697873 0.545952 0.406128 O\n0.714458 0.564720 0.593242 O\n0.192689 0.447022 0.903816 O\n0.196013 0.446196 0.096998 O\n0.197873 0.454048 0.593872 O\n0.214458 0.435280 0.406758 O\n0.457949 0.356517 0.248814 O\n0.457843 0.353071 0.756182 O\n",
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"formula_full": "Mg6 Al2 Fe2 Si6 O24",
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"spacegroup": 4
},
{
"id": "mp-1207953",
"created_at": "2022-09-04T14:47:15.086003Z",
"structure_string": "Tm10 Ge4 Sb4\n1.0\n3.905204 -7.481872 0.000000\n3.905204 7.481872 0.000000\n0.000000 0.000000 7.832515\nTm Ge Sb\n10 4 4\ndirect\n0.036795 0.291179 0.336565 Tm\n0.963205 0.708821 0.663435 Tm\n0.463205 0.208821 0.836565 Tm\n0.791179 0.536795 0.163435 Tm\n0.536795 0.791179 0.163435 Tm\n0.208821 0.463205 0.836565 Tm\n0.708821 0.963205 0.663435 Tm\n0.291179 0.036795 0.336565 Tm\n0.000000 0.000000 0.000000 Tm\n0.500000 0.500000 0.500000 Tm\n0.361315 0.361315 0.137812 Ge\n0.638685 0.638685 0.862188 Ge\n0.138685 0.138685 0.637812 Ge\n0.861315 0.861315 0.362188 Ge\n0.794864 0.205136 0.000000 Sb\n0.205136 0.794864 0.000000 Sb\n0.705136 0.294864 0.500000 Sb\n0.294864 0.705136 0.500000 Sb\n",
"nsites": 18,
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"elements": [
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"chemical_system": "Ge-Sb-Tm",
"density": 8.949995637192707,
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"volume": 457.70455072256937,
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"formula_full": "Tm10 Ge4 Sb4",
"formula_reduced": "Tm5(GeSb)2",
"formula_anonymous": "A2B2C5",
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"updated_at": "2021-11-28T01:38:01.616000Z",
"spacegroup": 64
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{
"id": "mp-1199654",
"created_at": "2022-09-04T14:47:15.093067Z",
"structure_string": "Ag6 P6 O20\n1.0\n5.362981 5.795275 0.000000\n-5.362981 5.795275 0.000000\n0.000000 5.365189 7.519135\nAg P O\n6 6 20\ndirect\n0.005087 0.326918 0.949503 Ag\n0.673082 0.994913 0.050497 Ag\n0.994913 0.673082 0.050497 Ag\n0.326918 0.005087 0.949503 Ag\n0.173725 0.826275 0.500000 Ag\n0.826275 0.173725 0.500000 Ag\n0.437750 0.714844 0.735874 P\n0.285156 0.562250 0.264126 P\n0.562250 0.285156 0.264126 P\n0.714844 0.437750 0.735874 P\n0.784599 0.784599 0.419111 P\n0.215401 0.215401 0.580889 P\n0.514030 0.514030 0.806242 O\n0.485970 0.485970 0.193758 O\n0.560803 0.795632 0.521222 O\n0.204368 0.439197 0.478778 O\n0.439197 0.204368 0.478778 O\n0.795632 0.560803 0.521222 O\n0.484305 0.841903 0.800432 O\n0.158097 0.515695 0.199568 O\n0.515695 0.158097 0.199568 O\n0.841903 0.484305 0.800432 O\n0.235409 0.677288 0.770342 O\n0.322712 0.764591 0.229658 O\n0.764591 0.322712 0.229658 O\n0.677288 0.235409 0.770342 O\n0.821929 0.821929 0.233422 O\n0.178071 0.178071 0.766578 O\n0.898813 0.898813 0.448137 O\n0.101187 0.101187 0.551863 O\n0.822604 0.822604 0.940635 O\n0.177396 0.177396 0.059365 O\n",
"nsites": 32,
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"elements": [
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"P",
"O"
],
"chemical_system": "Ag-O-P",
"density": 4.096521134412124,
"density_atomic": 0.06846550137913558,
"volume": 467.3886753972095,
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"formula_full": "Ag6 P6 O20",
"formula_reduced": "Ag3P3O10",
"formula_anonymous": "A3B3C10",
"energy": -205.41223805,
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},
{
"id": "mp-1222446",
"created_at": "2022-09-04T14:47:15.052322Z",
"structure_string": "Li1 La2 Nb8 O24\n1.0\n3.973925 -8.045693 0.000000\n3.973925 8.045693 0.000000\n0.000000 0.000000 7.948453\nLi La Nb O\n1 2 8 24\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.000000 La\n0.000000 0.000000 0.500000 La\n0.121878 0.380410 0.748751 Nb\n0.619590 0.878122 0.748751 Nb\n0.121878 0.380410 0.251249 Nb\n0.619590 0.878122 0.251249 Nb\n0.878122 0.619590 0.748751 Nb\n0.380410 0.121878 0.748751 Nb\n0.878122 0.619590 0.251249 Nb\n0.380410 0.121878 0.251249 Nb\n0.384184 0.615816 0.760820 O\n0.886093 0.113907 0.744846 O\n0.384184 0.615816 0.239180 O\n0.886093 0.113907 0.255154 O\n0.113907 0.886093 0.744846 O\n0.615816 0.384184 0.760820 O\n0.113907 0.886093 0.255154 O\n0.615816 0.384184 0.239180 O\n0.141237 0.369147 0.000000 O\n0.630853 0.858763 0.000000 O\n0.123305 0.354955 0.500000 O\n0.645045 0.876695 0.500000 O\n0.858763 0.630853 0.000000 O\n0.369147 0.141237 0.000000 O\n0.876695 0.645045 0.500000 O\n0.354955 0.123305 0.500000 O\n0.246941 0.246941 0.753114 O\n0.753059 0.753059 0.753114 O\n0.246941 0.246941 0.246886 O\n0.753059 0.753059 0.246886 O\n0.000000 0.500000 0.750136 O\n0.500000 0.000000 0.750136 O\n0.000000 0.500000 0.249864 O\n0.500000 0.000000 0.249864 O\n",
"nsites": 35,
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"elements": [
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"La",
"Nb",
"O"
],
"chemical_system": "La-Li-Nb-O",
"density": 4.613011655333564,
"density_atomic": 0.06886083975225105,
"volume": 508.27146642306025,
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"formula_full": "Li1 La2 Nb8 O24",
"formula_reduced": "LiLa2Nb8O24",
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"energy": -319.38449069,
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{
"id": "mp-568943",
"created_at": "2022-09-04T14:47:15.056150Z",
"structure_string": "K4 C4 Se4 N4\n1.0\n7.751164 0.000000 0.000000\n0.000000 4.603985 0.000000\n0.000000 2.160711 11.839432\nK C Se N\n4 4 4 4\ndirect\n0.695538 0.628919 0.096665 K\n0.304462 0.371081 0.903335 K\n0.804462 0.628919 0.596665 K\n0.195538 0.371081 0.403335 K\n0.776650 0.159278 0.884364 C\n0.723350 0.159278 0.384364 C\n0.223350 0.840722 0.115636 C\n0.276650 0.840722 0.615636 C\n0.448242 0.961161 0.697737 Se\n0.948242 0.038839 0.802263 Se\n0.051758 0.961161 0.197737 Se\n0.551758 0.038839 0.302263 Se\n0.663955 0.237923 0.938788 N\n0.836045 0.237923 0.438788 N\n0.163955 0.762077 0.561212 N\n0.336045 0.762077 0.061212 N\n",
"nsites": 16,
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"elements": [
"K",
"C",
"Se",
"N"
],
"chemical_system": "C-K-N-Se",
"density": 2.264999621424668,
"density_atomic": 0.03786938823487878,
"volume": 422.5048448304097,
"volume_molar": 15.902397795941788,
"formula_full": "K4 C4 Se4 N4",
"formula_reduced": "KCSeN",
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"energy": -97.14856588,
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"spacegroup": 14
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{
"id": "mp-1351781",
"created_at": "2022-09-04T14:47:15.058361Z",
"structure_string": "Cr8 P8 O32\n1.0\n2.465319 8.873753 0.000000\n-2.465319 8.873753 0.000000\n0.000000 7.720899 13.922821\nCr P O\n8 8 32\ndirect\n0.388370 0.817786 0.027125 Cr\n0.182214 0.611630 0.472875 Cr\n0.611630 0.182214 0.972875 Cr\n0.000000 0.500000 0.000000 Cr\n0.817786 0.388370 0.527125 Cr\n0.678168 0.321832 0.750000 Cr\n0.321832 0.678168 0.250000 Cr\n0.500000 0.000000 0.500000 Cr\n0.484073 0.943814 0.142948 P\n0.799010 0.235111 0.381258 P\n0.515927 0.056186 0.857052 P\n0.235111 0.799010 0.881258 P\n0.943814 0.484073 0.642948 P\n0.056186 0.515927 0.357052 P\n0.200990 0.764889 0.618742 P\n0.764889 0.200990 0.118742 P\n0.195634 0.284931 0.904508 O\n0.698586 0.152092 0.072928 O\n0.284931 0.195634 0.404508 O\n0.597112 0.250416 0.450908 O\n0.649947 0.799619 0.946405 O\n0.669394 0.436963 0.288550 O\n0.749584 0.402888 0.049092 O\n0.913851 0.094303 0.863424 O\n0.402888 0.749584 0.549092 O\n0.847908 0.301414 0.427072 O\n0.612168 0.138209 0.860201 O\n0.020731 0.388340 0.735414 O\n0.301414 0.847908 0.927072 O\n0.094303 0.913851 0.363424 O\n0.804366 0.715069 0.095492 O\n0.387832 0.861791 0.139799 O\n0.388340 0.020731 0.235414 O\n0.250416 0.597112 0.950908 O\n0.138209 0.612168 0.360201 O\n0.979269 0.611660 0.264586 O\n0.905697 0.086149 0.636576 O\n0.799619 0.649947 0.446405 O\n0.086149 0.905697 0.136576 O\n0.436963 0.669394 0.788550 O\n0.152092 0.698586 0.572928 O\n0.715069 0.804366 0.595492 O\n0.611660 0.979269 0.764586 O\n0.200381 0.350053 0.553595 O\n0.350053 0.200381 0.053595 O\n0.563037 0.330606 0.211450 O\n0.330606 0.563037 0.711450 O\n0.861791 0.387832 0.639799 O\n",
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"volume": 609.168859279266,
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"formula_full": "Cr8 P8 O32",
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"spacegroup": 15
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{
"id": "mp-1094426",
"created_at": "2022-09-04T14:47:15.060022Z",
"structure_string": "Mg2 Zn4\n1.0\n1.473937 -2.552934 0.000000\n1.473937 2.552934 0.000000\n0.000000 0.000000 13.851021\nMg Zn\n2 4\ndirect\n0.000000 0.000000 0.671190 Mg\n0.000000 0.000000 0.328810 Mg\n0.000000 0.000000 0.000000 Zn\n0.666667 0.333333 0.843679 Zn\n0.666667 0.333333 0.500000 Zn\n0.666667 0.333333 0.156321 Zn\n",
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{
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{
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{
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{
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{
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}