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{
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"results": [
{
"id": "mp-1076463",
"created_at": "2022-09-04T14:48:15.302272Z",
"structure_string": "Sm4 Fe4 O10\n1.0\n-2.748209 2.911967 7.703534\n2.748209 -2.911967 7.703534\n2.748209 2.911967 -7.703534\nSm Fe O\n4 4 10\ndirect\n0.900370 0.373939 0.500199 Sm\n0.099630 0.599829 0.473569 Sm\n0.373740 0.873939 0.473569 Sm\n0.626260 0.099829 0.500199 Sm\n0.000000 0.006558 0.006558 Fe\n0.500000 0.506558 0.006558 Fe\n0.714650 0.724644 0.939294 Fe\n0.285350 0.224644 0.009994 Fe\n0.291516 0.274619 0.504936 O\n0.708484 0.213420 0.983103 O\n0.269683 0.774619 0.983103 O\n0.730317 0.713420 0.504936 O\n0.965470 0.927485 0.173648 O\n0.034530 0.208177 0.962015 O\n0.253837 0.427485 0.962015 O\n0.746163 0.708177 0.173648 O\n0.637838 0.335328 0.473166 O\n0.362162 0.835328 0.697491 O\n",
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"elements": [
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"density": 6.6315814758225535,
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"volume": 246.5960987279846,
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"formula_full": "Sm4 Fe4 O10",
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"spacegroup": 46
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{
"id": "mp-1207706",
"created_at": "2022-09-04T14:48:12.239252Z",
"structure_string": "Tm4 Mn4 B16\n1.0\n3.370989 0.000000 0.000000\n0.000000 5.875960 0.000000\n0.000000 0.000000 11.356289\nTm Mn B\n4 4 16\ndirect\n0.500000 0.374053 0.150131 Tm\n0.500000 0.625946 0.849869 Tm\n0.500000 0.125947 0.650131 Tm\n0.500000 0.874054 0.349869 Tm\n0.500000 0.371467 0.415587 Mn\n0.500000 0.628533 0.584413 Mn\n0.500000 0.128533 0.915587 Mn\n0.500000 0.871467 0.084413 Mn\n0.000000 0.112821 0.046685 B\n0.000000 0.887179 0.953315 B\n0.000000 0.387179 0.546685 B\n0.000000 0.612821 0.453315 B\n0.000000 0.136904 0.467805 B\n0.000000 0.863096 0.532196 B\n0.000000 0.363096 0.967804 B\n0.000000 0.636904 0.032195 B\n0.000000 0.024768 0.191685 B\n0.000000 0.975232 0.808315 B\n0.000000 0.475232 0.691685 B\n0.000000 0.524768 0.308315 B\n0.000000 0.217583 0.315358 B\n0.000000 0.782417 0.684642 B\n0.000000 0.282417 0.815358 B\n0.000000 0.717583 0.184642 B\n",
"nsites": 24,
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"elements": [
"Tm",
"Mn",
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],
"chemical_system": "B-Mn-Tm",
"density": 7.887453353433205,
"density_atomic": 0.10669366643087344,
"volume": 224.94306178473622,
"volume_molar": 5.6443282543877435,
"formula_full": "Tm4 Mn4 B16",
"formula_reduced": "TmMnB4",
"formula_anonymous": "ABC4",
"energy": -177.94970172,
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"updated_at": "2021-11-28T01:38:37.031000Z",
"spacegroup": 55
},
{
"id": "mp-1177693",
"created_at": "2022-09-04T14:48:12.075281Z",
"structure_string": "Li12 Cr4 P4 C4 O28\n1.0\n6.460069 0.000000 0.000000\n-0.011577 8.676076 0.000000\n-0.014704 -0.830184 9.998542\nLi Cr P C O\n12 4 4 4 28\ndirect\n0.740034 0.899224 0.381818 Li\n0.743983 0.899980 0.885048 Li\n0.529761 0.714303 0.123973 Li\n0.969889 0.726473 0.628522 Li\n0.530663 0.727093 0.628706 Li\n0.747565 0.344813 0.105962 Li\n0.484543 0.272836 0.359626 Li\n0.016750 0.275421 0.361285 Li\n0.484807 0.276721 0.883639 Li\n0.013583 0.274131 0.884648 Li\n0.250583 0.116842 0.107974 Li\n0.251377 0.105920 0.616922 Li\n0.003725 0.738640 0.131160 Cr\n0.250902 0.661704 0.401920 Cr\n0.255177 0.660404 0.882975 Cr\n0.750140 0.331229 0.604480 Cr\n0.749225 0.585460 0.361093 P\n0.750346 0.583750 0.858316 P\n0.247086 0.409475 0.139601 P\n0.250733 0.409184 0.640224 P\n0.243486 0.967931 0.349691 C\n0.248509 0.968704 0.854238 C\n0.751044 0.037885 0.148674 C\n0.750791 0.030591 0.648623 C\n0.252343 0.944779 0.473817 O\n0.762719 0.889045 0.181372 O\n0.244102 0.940938 0.978960 O\n0.238648 0.842883 0.262442 O\n0.750642 0.890915 0.688308 O\n0.253020 0.851452 0.762689 O\n0.937082 0.684923 0.417334 O\n0.563882 0.687130 0.417275 O\n0.940209 0.684729 0.914843 O\n0.565869 0.685758 0.916186 O\n0.245188 0.580575 0.093307 O\n0.749011 0.575226 0.205978 O\n0.250905 0.577498 0.597507 O\n0.751171 0.581749 0.703638 O\n0.249766 0.423678 0.295669 O\n0.748454 0.421154 0.409006 O\n0.251773 0.417762 0.795650 O\n0.751189 0.420293 0.903553 O\n0.056609 0.315312 0.087812 O\n0.438605 0.319875 0.084770 O\n0.436727 0.311415 0.582349 O\n0.063608 0.311797 0.582711 O\n0.738535 0.143680 0.244791 O\n0.243097 0.103343 0.305939 O\n0.750243 0.149489 0.737781 O\n0.751222 0.063434 0.025211 O\n0.249347 0.108634 0.817952 O\n0.751327 0.053820 0.524034 O\n",
"nsites": 52,
"nelements": 5,
"elements": [
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"Cr",
"P",
"C",
"O"
],
"chemical_system": "C-Cr-Li-O-P",
"density": 2.700004031223504,
"density_atomic": 0.09279106600166309,
"volume": 560.3987780361097,
"volume_molar": 6.490000621279709,
"formula_full": "Li12 Cr4 P4 C4 O28",
"formula_reduced": "Li3CrPCO7",
"formula_anonymous": "ABCD3E7",
"energy": -382.38468458,
"energy_per_atom": -7.3535516265384615,
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"updated_at": "2021-11-28T01:38:43.099000Z",
"spacegroup": 1
},
{
"id": "mp-1290794",
"created_at": "2022-09-04T14:48:12.105828Z",
"structure_string": "Li10 Mn6 O16\n1.0\n4.977612 -0.112040 0.269320\n1.948120 9.588054 0.659072\n-0.238851 -0.223863 5.928069\nLi Mn O\n10 6 16\ndirect\n0.749875 0.249982 0.249882 Li\n0.249851 0.749928 0.249816 Li\n0.749953 0.250046 0.749952 Li\n0.250007 0.750021 0.749870 Li\n0.501797 0.997838 0.251262 Li\n0.998069 0.502228 0.248843 Li\n0.258144 0.252803 0.489460 Li\n0.741076 0.750475 0.480361 Li\n0.241701 0.247277 0.010564 Li\n0.758687 0.749625 0.019215 Li\n0.000937 0.498109 0.744206 Mn\n0.999692 0.998821 0.009549 Mn\n0.998543 0.000612 0.498443 Mn\n0.499155 0.001823 0.755803 Mn\n0.501520 0.499435 0.001645 Mn\n0.500316 0.501147 0.490545 Mn\n0.100766 0.113600 0.239632 O\n0.607181 0.622358 0.269887 O\n0.399187 0.386462 0.260325 O\n0.892749 0.877713 0.230005 O\n0.144040 0.115223 0.772197 O\n0.634478 0.608402 0.739414 O\n0.356069 0.384672 0.727825 O\n0.865750 0.891547 0.760454 O\n0.639319 0.110362 0.984582 O\n0.133667 0.607175 0.974758 O\n0.634949 0.111883 0.518785 O\n0.138785 0.611922 0.513662 O\n0.860898 0.389664 0.515619 O\n0.366621 0.892886 0.525460 O\n0.865103 0.387997 0.981416 O\n0.361116 0.887963 0.986566 O\n",
"nsites": 32,
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"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 3.8102636544789594,
"density_atomic": 0.11209741554873401,
"volume": 285.4659926221769,
"volume_molar": 5.372238718012096,
"formula_full": "Li10 Mn6 O16",
"formula_reduced": "Li5Mn3O8",
"formula_anonymous": "A3B5C8",
"energy": -222.02741793,
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"updated_at": "2021-11-28T01:38:33.495000Z",
"spacegroup": 2
},
{
"id": "mp-505682",
"created_at": "2022-09-04T14:48:12.108026Z",
"structure_string": "Dy24 Te12\n1.0\n4.066987 0.000000 0.000000\n0.000000 11.541666 0.000000\n0.000000 0.000000 22.209452\nDy Te\n24 12\ndirect\n0.250000 0.151757 0.391410 Dy\n0.750000 0.848243 0.608590 Dy\n0.750000 0.651757 0.108590 Dy\n0.250000 0.348243 0.891410 Dy\n0.250000 0.455955 0.339964 Dy\n0.750000 0.544045 0.660036 Dy\n0.750000 0.955955 0.160036 Dy\n0.250000 0.044045 0.839964 Dy\n0.250000 0.734627 0.233399 Dy\n0.750000 0.265373 0.766601 Dy\n0.750000 0.234627 0.266601 Dy\n0.250000 0.765373 0.733399 Dy\n0.250000 0.116124 0.034247 Dy\n0.750000 0.883876 0.965753 Dy\n0.750000 0.616124 0.465753 Dy\n0.250000 0.383876 0.534247 Dy\n0.250000 0.415139 0.146729 Dy\n0.750000 0.584861 0.853271 Dy\n0.750000 0.915139 0.353271 Dy\n0.250000 0.084861 0.646729 Dy\n0.250000 0.613093 0.983101 Dy\n0.750000 0.386907 0.016899 Dy\n0.750000 0.113093 0.516899 Dy\n0.250000 0.886907 0.483101 Dy\n0.250000 0.850694 0.068884 Te\n0.750000 0.149306 0.931116 Te\n0.750000 0.350694 0.431116 Te\n0.250000 0.649306 0.568884 Te\n0.250000 0.711938 0.372631 Te\n0.750000 0.288062 0.627369 Te\n0.750000 0.211938 0.127369 Te\n0.250000 0.788062 0.872631 Te\n0.250000 0.020368 0.260837 Te\n0.750000 0.979632 0.739163 Te\n0.750000 0.520368 0.239163 Te\n0.250000 0.479632 0.760837 Te\n",
"nsites": 36,
"nelements": 2,
"elements": [
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],
"chemical_system": "Dy-Te",
"density": 8.650989080604303,
"density_atomic": 0.03453213034111304,
"volume": 1042.5073589259378,
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"formula_full": "Dy24 Te12",
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"energy": -184.7725816,
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"spacegroup": 62
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{
"id": "mp-26640",
"created_at": "2022-09-04T14:48:12.108527Z",
"structure_string": "Co4 P8 O28\n1.0\n5.173542 0.000000 0.000000\n0.000000 8.763741 0.000000\n0.000000 2.834815 12.001236\nCo P O\n4 8 28\ndirect\n0.249086 0.760628 0.965170 Co\n0.749086 0.739372 0.534830 Co\n0.250914 0.260628 0.465170 Co\n0.750914 0.239372 0.034830 Co\n0.734061 0.571497 0.116373 P\n0.265939 0.428503 0.883627 P\n0.260739 0.524017 0.637519 P\n0.234061 0.928503 0.383627 P\n0.239261 0.024017 0.137519 P\n0.765939 0.071497 0.616373 P\n0.760739 0.975983 0.862481 P\n0.739261 0.475983 0.362481 P\n0.932856 0.676604 0.045999 O\n0.028883 0.904415 0.856172 O\n0.546930 0.850890 0.879030 O\n0.728319 0.896054 0.621236 O\n0.971117 0.095585 0.143828 O\n0.453070 0.149110 0.120970 O\n0.271681 0.103946 0.378764 O\n0.042905 0.123418 0.585022 O\n0.713534 0.091321 0.741808 O\n0.567144 0.176604 0.545999 O\n0.739101 0.077187 0.946295 O\n0.771681 0.396054 0.121236 O\n0.953070 0.350890 0.379030 O\n0.471117 0.404415 0.356172 O\n0.239101 0.422813 0.553705 O\n0.067144 0.323396 0.954001 O\n0.213534 0.408679 0.758192 O\n0.286466 0.908679 0.258192 O\n0.542905 0.376582 0.914978 O\n0.786466 0.591321 0.241808 O\n0.457095 0.623418 0.085022 O\n0.760899 0.577187 0.446295 O\n0.528883 0.595585 0.643828 O\n0.046930 0.649110 0.620970 O\n0.228319 0.603946 0.878764 O\n0.260899 0.922813 0.053705 O\n0.432856 0.823396 0.454001 O\n0.957095 0.876582 0.414978 O\n",
"nsites": 40,
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"formula_full": "Co4 P8 O28",
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{
"id": "mp-752651",
"created_at": "2022-09-04T14:48:15.976901Z",
"structure_string": "Li4 Ti2 Nb3 Cu3 O16\n1.0\n3.021980 5.355613 0.000000\n-3.021980 5.355613 0.000000\n0.000000 0.667561 9.856882\nLi Ti Nb Cu O\n4 2 3 3 16\ndirect\n0.667084 0.667084 0.912162 Li\n0.005269 0.005269 0.999865 Li\n0.025648 0.025648 0.478612 Li\n0.337456 0.337456 0.394872 Li\n0.636531 0.636531 0.472707 Ti\n0.324505 0.324505 0.008940 Ti\n0.823715 0.823715 0.228590 Nb\n0.659054 0.160261 0.717962 Nb\n0.160261 0.659054 0.717962 Nb\n0.829423 0.338045 0.204216 Cu\n0.338045 0.829423 0.204216 Cu\n0.171374 0.171374 0.706533 Cu\n0.811500 0.336736 0.587304 O\n0.521860 0.521860 0.347196 O\n0.671995 0.671995 0.112581 O\n0.997504 0.997504 0.292063 O\n0.998527 0.998527 0.809609 O\n0.336736 0.811500 0.587304 O\n0.967615 0.542157 0.359480 O\n0.542157 0.967615 0.359480 O\n0.165836 0.165836 0.086755 O\n0.844903 0.844903 0.609548 O\n0.501476 0.041701 0.848671 O\n0.041701 0.501476 0.848671 O\n0.346267 0.346267 0.602883 O\n0.643492 0.147096 0.090118 O\n0.484315 0.484315 0.829443 O\n0.147096 0.643492 0.090118 O\n",
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"formula_full": "Li4 Ti2 Nb3 Cu3 O16",
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"spacegroup": 8
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{
"id": "mp-1100921",
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"structure_string": "V7 O3\n1.0\n5.221566 1.100104 -0.571713\n-0.370713 4.974632 -1.914501\n-0.631318 -2.321152 6.488814\nV O\n7 3\ndirect\n0.500000 0.000000 0.500000 V\n0.073581 0.135157 0.775800 V\n0.216128 0.428549 0.360355 V\n0.357997 0.713759 0.922845 V\n0.642003 0.286241 0.077155 V\n0.783872 0.571451 0.639645 V\n0.926419 0.864843 0.224200 V\n0.719386 0.430137 0.862067 O\n0.000000 0.000000 0.000000 O\n0.280614 0.569863 0.137933 O\n",
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{
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