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{
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"results": [
{
"id": "jvasp-98116",
"created_at": "2022-09-04T14:36:15.338075Z",
"updated_at": "2022-09-04T14:36:15.338094Z",
"structure_string": "Mn40 Si16\n1.0\n8.474242 -0.000000 0.000000\n-0.000000 8.686537 -0.000000\n-0.000000 0.000000 8.686537\nMn Si\n40 16\ndirect\n0.000000 0.866691 0.866691 Mn\n0.848744 0.220925 0.175200 Mn\n0.534847 0.868149 0.042612 Mn\n0.284847 0.542612 0.631851 Mn\n0.329234 0.422076 0.184200 Mn\n0.929449 0.005862 0.399218 Mn\n0.250000 0.633309 0.366691 Mn\n0.679449 0.899218 0.494138 Mn\n0.820551 0.505862 0.100782 Mn\n0.570551 0.600782 0.994138 Mn\n0.420766 0.922076 0.315800 Mn\n0.401256 0.279075 0.675200 Mn\n0.098744 0.324801 0.720926 Mn\n0.429449 0.994138 0.600782 Mn\n0.465153 0.042612 0.868149 Mn\n0.750000 0.366691 0.633309 Mn\n0.348744 0.779075 0.824801 Mn\n0.965153 0.957389 0.131851 Mn\n0.670766 0.184200 0.422076 Mn\n0.651256 0.824801 0.779075 Mn\n0.750000 0.045276 0.954724 Mn\n0.598744 0.675200 0.279075 Mn\n0.000000 0.545276 0.545276 Mn\n0.179449 0.100782 0.505862 Mn\n0.784847 0.457388 0.368149 Mn\n0.250000 0.954724 0.045276 Mn\n0.170766 0.815800 0.577925 Mn\n0.034847 0.131851 0.957389 Mn\n0.151256 0.175200 0.220925 Mn\n0.079234 0.684200 0.077924 Mn\n0.715153 0.631851 0.542612 Mn\n0.901256 0.720926 0.324801 Mn\n0.579234 0.315800 0.922076 Mn\n0.215153 0.368149 0.457388 Mn\n0.070551 0.399218 0.005862 Mn\n0.320551 0.494138 0.899218 Mn\n0.829234 0.577925 0.815800 Mn\n0.920766 0.077924 0.684200 Mn\n0.500000 0.133309 0.133309 Mn\n0.500000 0.454724 0.454724 Mn\n0.298366 0.236105 0.965686 Si\n0.401768 0.195946 0.379892 Si\n0.451634 0.736105 0.534315 Si\n0.701634 0.965686 0.236105 Si\n0.798366 0.763895 0.034315 Si\n0.548366 0.534315 0.736105 Si\n0.098232 0.620108 0.804055 Si\n0.848232 0.304055 0.879893 Si\n0.201634 0.034315 0.763895 Si\n0.048366 0.465685 0.263895 Si\n0.151768 0.879893 0.304055 Si\n0.901768 0.804055 0.620108 Si\n0.348232 0.695946 0.120108 Si\n0.598232 0.379892 0.195946 Si\n0.651768 0.120108 0.695946 Si\n0.951634 0.263895 0.465685 Si\n",
"nsites": 56,
"nelements": 2,
"elements": [
"Mn",
"Si"
],
"chemical_system": "Mn-Si",
"density": 6.8737027614284,
"density_atomic": 0.08757775683814048,
"volume": 639.4317692276376,
"volume_molar": 6.876335929829769,
"formula_full": "Mn40 Si16",
"formula_reduced": "Mn5Si2",
"formula_anonymous": "A2B5",
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"spacegroup": 92
},
{
"id": "jvasp-97312",
"created_at": "2022-09-04T14:36:21.751257Z",
"updated_at": "2022-09-04T14:36:21.751285Z",
"structure_string": "Na8 Sr4 Mg4 P8 O32\n1.0\n9.077134 0.000000 -0.007015\n0.000000 5.317573 0.000000\n-0.007695 0.000000 13.526570\nNa Sr Mg P O\n8 4 4 8 32\ndirect\n0.082372 0.224204 0.910542 Na\n0.917629 0.724204 0.589458 Na\n0.917628 0.775795 0.089458 Na\n0.082371 0.275796 0.410542 Na\n0.417668 0.224209 0.589483 Na\n0.582332 0.724209 0.910517 Na\n0.582332 0.775790 0.410517 Na\n0.417668 0.275790 0.089483 Na\n0.750028 0.310327 0.249994 Sr\n0.249972 0.810327 0.250006 Sr\n0.249972 0.689672 0.750006 Sr\n0.750028 0.189672 0.749994 Sr\n0.750003 0.249988 0.499990 Mg\n0.249997 0.749987 0.000010 Mg\n0.249997 0.750012 0.500010 Mg\n0.750003 0.250012 -0.000010 Mg\n0.417584 0.271222 0.367353 P\n0.582416 0.771222 0.132646 P\n0.582416 0.728777 0.632646 P\n0.417584 0.228778 0.867353 P\n0.082404 0.271212 0.132658 P\n0.917596 0.771212 0.367342 P\n0.917596 0.728787 0.867342 P\n0.082404 0.228788 0.632658 P\n0.645653 0.963679 0.577905 O\n0.645653 0.536320 0.077905 O\n0.354347 0.036321 0.422094 O\n0.424205 0.283999 0.756321 O\n0.575795 0.783999 0.743679 O\n0.575795 0.716001 0.243679 O\n0.574070 0.176738 0.909418 O\n0.354347 0.463679 0.922094 O\n0.425930 0.676738 0.590582 O\n0.425930 0.823261 0.090582 O\n0.574070 0.323262 0.409418 O\n0.682369 0.497809 0.610168 O\n0.317632 0.997808 0.889831 O\n0.424205 0.216001 0.256321 O\n0.145639 0.036284 0.077935 O\n0.074064 0.823258 0.409444 O\n0.854361 0.963716 0.922065 O\n0.145639 0.463716 0.577935 O\n0.182380 0.502160 0.110193 O\n0.817620 0.002160 0.389807 O\n0.817620 0.497840 0.889807 O\n0.182380 0.997839 0.610193 O\n0.075717 0.216031 0.243693 O\n0.924283 0.716031 0.256307 O\n0.924283 0.783968 0.756307 O\n0.075717 0.283969 0.743693 O\n0.317631 0.502191 0.389831 O\n0.925936 0.323258 0.090555 O\n0.925936 0.176742 0.590555 O\n0.074064 0.676741 0.909444 O\n0.854361 0.536284 0.422065 O\n0.682368 0.002191 0.110168 O\n",
"nsites": 56,
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"elements": [
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"Sr",
"Mg",
"P",
"O"
],
"chemical_system": "Mg-Na-O-P-Sr",
"density": 3.5387344826992098,
"density_atomic": 0.08577057592648647,
"volume": 652.9045584117019,
"volume_molar": 7.021219917144484,
"formula_full": "Na8 Sr4 Mg4 P8 O32",
"formula_reduced": "Na2SrMg(PO4)2",
"formula_anonymous": "ABC2D2E8",
"energy_above_hull": 1.780484454285714,
"spacegroup": 15
},
{
"id": "jvasp-88784",
"created_at": "2022-09-04T14:36:07.474589Z",
"updated_at": "2022-09-04T14:36:07.474614Z",
"structure_string": "Ho4 Al12 Pb8 O32\n1.0\n9.499636 0.000000 -0.000000\n-0.000000 9.499636 0.000000\n0.000000 0.000000 9.499636\nHo Al Pb O\n4 12 8 32\ndirect\n0.500000 0.500000 0.000000 Ho\n0.000000 0.000000 0.000000 Ho\n0.000000 0.500000 0.500000 Ho\n0.500000 0.000000 0.500000 Ho\n0.750000 0.500000 0.250000 Al\n0.750000 0.250000 0.500000 Al\n0.000000 0.750000 0.250000 Al\n0.500000 0.750000 0.250000 Al\n0.250000 0.500000 0.750000 Al\n0.250000 0.000000 0.750000 Al\n0.750000 0.250000 0.000000 Al\n0.250000 0.750000 0.000000 Al\n0.750000 0.000000 0.250000 Al\n0.250000 0.750000 0.500000 Al\n0.500000 0.250000 0.750000 Al\n0.000000 0.250000 0.750000 Al\n0.384581 0.384581 0.384581 Pb\n0.615419 0.615419 0.615419 Pb\n0.115419 0.384581 0.115419 Pb\n0.384581 0.115419 0.115419 Pb\n0.115419 0.115419 0.384581 Pb\n0.615419 0.884581 0.884581 Pb\n0.884581 0.884581 0.615419 Pb\n0.884581 0.615419 0.884581 Pb\n0.136861 0.136861 0.136861 O\n0.636861 0.863140 0.636861 O\n0.863140 0.636861 0.636861 O\n0.636861 0.636861 0.863140 O\n0.765001 0.409862 0.409862 O\n0.363140 0.136861 0.363140 O\n0.765001 0.090138 0.090138 O\n0.409862 0.409862 0.765001 O\n0.090138 0.409862 0.735000 O\n0.409862 0.765001 0.409862 O\n0.090138 0.735000 0.409862 O\n0.265001 0.909862 0.590138 O\n0.265001 0.590138 0.909862 O\n0.234999 0.909862 0.909862 O\n0.590138 0.909862 0.265001 O\n0.909862 0.234999 0.909862 O\n0.909862 0.265001 0.590138 O\n0.363140 0.363140 0.136861 O\n0.909862 0.590138 0.265001 O\n0.909862 0.909862 0.234999 O\n0.590138 0.590138 0.234999 O\n0.590138 0.234999 0.590138 O\n0.090138 0.765001 0.090138 O\n0.409862 0.735000 0.090138 O\n0.409862 0.090138 0.735000 O\n0.090138 0.090138 0.765001 O\n0.735000 0.090138 0.409862 O\n0.735000 0.409862 0.090138 O\n0.234999 0.590138 0.590138 O\n0.863140 0.863140 0.863140 O\n0.590138 0.265001 0.909862 O\n0.136861 0.363140 0.363140 O\n",
"nsites": 56,
"nelements": 4,
"elements": [
"Ho",
"Al",
"Pb",
"O"
],
"chemical_system": "Al-Ho-O-Pb",
"density": 6.107497082627189,
"density_atomic": 0.06532315211657044,
"volume": 857.2764507760879,
"volume_molar": 9.218999030012167,
"formula_full": "Ho4 Al12 Pb8 O32",
"formula_reduced": "HoAl3(PbO4)2",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.116383114761905,
"spacegroup": 224
},
{
"id": "jvasp-98034",
"created_at": "2022-09-04T14:35:58.886565Z",
"updated_at": "2022-09-04T14:35:58.886583Z",
"structure_string": "C16 O24 F16\n1.0\n6.280586 0.000000 0.000000\n0.000000 6.818227 0.000000\n0.000000 0.000000 15.832290\nC O F\n16 24 16\ndirect\n0.736516 0.556662 0.604524 C\n0.279249 0.451011 0.266477 C\n0.779249 0.048989 0.733523 C\n0.220752 0.548990 0.766477 C\n0.611816 0.468011 0.334677 C\n0.111815 0.031989 0.665323 C\n0.388185 0.968011 0.165323 C\n0.888185 0.531989 0.834677 C\n0.720752 0.951011 0.233523 C\n0.938895 0.073312 0.970046 C\n0.561106 0.926688 0.470046 C\n0.061105 0.573312 0.529954 C\n0.763485 0.443339 0.104524 C\n0.263485 0.056661 0.895476 C\n0.236516 0.943339 0.395476 C\n0.438895 0.426688 0.029954 C\n0.247205 0.796565 0.355136 O\n0.747205 0.703436 0.644864 O\n0.408194 0.397623 0.332742 O\n0.908194 0.102377 0.667258 O\n0.591807 0.897624 0.167258 O\n0.111452 0.967342 0.944643 O\n0.611453 0.532658 0.055357 O\n0.388548 0.032658 0.444643 O\n0.888548 0.467342 0.555357 O\n0.252795 0.203435 0.855136 O\n0.091807 0.602377 0.832742 O\n0.752796 0.296565 0.144864 O\n0.097022 0.744335 0.537161 O\n0.597022 0.755666 0.462839 O\n0.324595 0.527986 0.201505 O\n0.824595 0.972015 0.798495 O\n0.175406 0.472015 0.701505 O\n0.695957 0.586199 0.290687 O\n0.675406 0.027985 0.298495 O\n0.304043 0.086199 0.209313 O\n0.804044 0.413801 0.790687 O\n0.402978 0.255665 0.037161 O\n0.902979 0.244335 0.962839 O\n0.195957 0.913802 0.709313 O\n0.793486 0.622886 0.899660 F\n0.916295 0.895088 0.211140 F\n0.416294 0.604913 0.788860 F\n0.706514 0.377115 0.399660 F\n0.206514 0.122885 0.600340 F\n0.293486 0.877115 0.100340 F\n0.311683 0.553408 0.989786 F\n0.433487 0.939050 0.899247 F\n0.688318 0.053408 0.510214 F\n0.188318 0.446593 0.489786 F\n0.933487 0.560951 0.100753 F\n0.583706 0.104912 0.711140 F\n0.066514 0.060950 0.399247 F\n0.566514 0.439050 0.600753 F\n0.811683 0.946593 0.010214 F\n0.083706 0.395088 0.288860 F\n",
"nsites": 56,
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"elements": [
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],
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"density": 2.1556645522544295,
"density_atomic": 0.08259859648218183,
"volume": 677.9776217151622,
"volume_molar": 7.290851196604892,
"formula_full": "C16 O24 F16",
"formula_reduced": "C2O3F2",
"formula_anonymous": "A2B2C3",
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"spacegroup": 19
},
{
"id": "jvasp-27075",
"created_at": "2022-09-04T14:38:02.793569Z",
"updated_at": "2022-09-04T14:38:02.793596Z",
"structure_string": "Li4 Al20 O32\n1.0\n7.974386 -0.000000 -0.000000\n-0.000000 7.974386 -0.000000\n0.000000 -0.000000 7.974386\nLi Al O\n4 20 32\ndirect\n0.125000 0.875000 0.375000 Li\n0.375000 0.125000 0.875000 Li\n0.625000 0.625000 0.625000 Li\n0.875000 0.375000 0.125000 Li\n0.881449 0.125000 0.368551 Al\n0.875000 0.868552 0.618552 Al\n0.868552 0.618552 0.875000 Al\n0.752229 0.247772 0.747772 Al\n0.631449 0.381449 0.375000 Al\n0.625000 0.131449 0.118551 Al\n0.618552 0.875000 0.868552 Al\n0.502228 0.002228 0.497772 Al\n0.497772 0.502228 0.002228 Al\n0.747772 0.752229 0.247772 Al\n0.375000 0.631449 0.381449 Al\n0.368551 0.881449 0.125000 Al\n0.252228 0.252228 0.252228 Al\n0.247772 0.747772 0.752229 Al\n0.131449 0.118551 0.625000 Al\n0.125000 0.368551 0.881449 Al\n0.118551 0.625000 0.131449 Al\n0.002228 0.497772 0.502228 Al\n0.997772 0.997772 0.997772 Al\n0.381449 0.375000 0.631449 Al\n0.384717 0.115135 0.132193 O\n0.384866 0.867808 0.884717 O\n0.385422 0.385422 0.385422 O\n0.615135 0.367807 0.615284 O\n0.617808 0.365135 0.134716 O\n0.632193 0.115284 0.884866 O\n0.882193 0.634866 0.634717 O\n0.634866 0.634717 0.882193 O\n0.635422 0.135422 0.364578 O\n0.865135 0.365284 0.382193 O\n0.884717 0.384866 0.867808 O\n0.885422 0.114578 0.614578 O\n0.382193 0.865135 0.365284 O\n0.634717 0.882193 0.634866 O\n0.367807 0.615284 0.615135 O\n0.865284 0.117807 0.134865 O\n0.365135 0.134716 0.617808 O\n0.364578 0.635422 0.135422 O\n0.134865 0.865284 0.117807 O\n0.132193 0.384717 0.115135 O\n0.117807 0.134865 0.865284 O\n0.115284 0.884866 0.632193 O\n0.115135 0.132193 0.384717 O\n0.114578 0.614578 0.885422 O\n0.884866 0.632193 0.115284 O\n0.867808 0.884717 0.384866 O\n0.134716 0.617808 0.365135 O\n0.864579 0.864579 0.864579 O\n0.615284 0.615135 0.367807 O\n0.614578 0.885422 0.114578 O\n0.365284 0.382193 0.865135 O\n0.135422 0.364578 0.635422 O\n",
"nsites": 56,
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"elements": [
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"Al",
"O"
],
"chemical_system": "Al-Li-O",
"density": 3.5345157477947424,
"density_atomic": 0.11043233764277668,
"volume": 507.0978410431478,
"volume_molar": 5.453240317596324,
"formula_full": "Li4 Al20 O32",
"formula_reduced": "LiAl5O8",
"formula_anonymous": "AB5C8",
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"spacegroup": 212
},
{
"id": "jvasp-24282",
"created_at": "2022-09-04T14:38:02.053430Z",
"updated_at": "2022-09-04T14:38:02.053452Z",
"structure_string": "Cd4 B8 Xe4 F40\n1.0\n0.000000 8.722806 -0.014290\n9.157830 0.000000 0.000000\n0.000000 -3.814853 -9.955305\nCd B Xe F\n4 8 4 40\ndirect\n0.654392 0.537310 0.362153 Cd\n0.154392 0.962689 0.362153 Cd\n0.845609 0.037310 0.637848 Cd\n0.345609 0.462689 0.637848 Cd\n0.475323 0.220887 0.423756 B\n0.524678 0.779113 0.576244 B\n0.709908 0.902663 0.288804 B\n0.975323 0.279113 0.423756 B\n0.790093 0.402663 0.711197 B\n0.290093 0.097337 0.711197 B\n0.209908 0.597337 0.288804 B\n0.024678 0.720887 0.576244 B\n0.652499 0.293097 0.048192 Xe\n0.347502 0.706903 0.951809 Xe\n0.152499 0.206903 0.048192 Xe\n0.847502 0.793097 0.951809 Xe\n0.273964 0.078447 0.574297 F\n0.409004 0.845752 0.463155 F\n0.356465 0.240900 0.750813 F\n0.112824 0.827935 0.532765 F\n0.365813 0.115354 0.343708 F\n0.369592 0.591463 0.278959 F\n0.051815 0.207449 0.344016 F\n0.865813 0.384646 0.343708 F\n0.391211 0.993733 0.793266 F\n0.643536 0.759100 0.249187 F\n0.229745 0.373427 0.957654 F\n0.551815 0.292550 0.344016 F\n0.590997 0.154248 0.536846 F\n0.270255 0.873427 0.042347 F\n0.608790 0.006267 0.206735 F\n0.887177 0.172064 0.467236 F\n0.226037 0.578447 0.425704 F\n0.909004 0.654248 0.463155 F\n0.072012 0.031520 0.143233 F\n0.948186 0.792550 0.655985 F\n0.130409 0.091463 0.721042 F\n0.108790 0.493733 0.206735 F\n0.572012 0.468480 0.143233 F\n0.869592 0.908537 0.278959 F\n0.427988 0.531520 0.856768 F\n0.612824 0.672064 0.532765 F\n0.143536 0.740900 0.249187 F\n0.448186 0.707449 0.655985 F\n0.726037 0.921553 0.425704 F\n0.927989 0.968480 0.856768 F\n0.770255 0.626573 0.042347 F\n0.891211 0.506267 0.793266 F\n0.387177 0.327935 0.467236 F\n0.773964 0.421553 0.574297 F\n0.729746 0.126573 0.957654 F\n0.134188 0.615354 0.656293 F\n0.856465 0.259100 0.750813 F\n0.630409 0.408537 0.721042 F\n0.634188 0.884646 0.656293 F\n0.090997 0.345752 0.536846 F\n",
"nsites": 56,
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"elements": [
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"B",
"Xe",
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],
"chemical_system": "B-Cd-F-Xe",
"density": 3.8004970215957776,
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"volume": 795.7486520891276,
"volume_molar": 8.55733998653749,
"formula_full": "Cd4 B8 Xe4 F40",
"formula_reduced": "CdB2XeF10",
"formula_anonymous": "ABC2D10",
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"spacegroup": 14
},
{
"id": "jvasp-22034",
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