{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-decomposes_to&page=10128","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-decomposes_to&page=10126","results":[{"id":"mp-559200","created_at":"2022-09-04T14:41:55.978823Z","structure_string":"Cd2 In4 S8\n1.0\n0.000000 5.514410 5.514410\n5.514410 0.000000 5.514410\n5.514410 5.514410 0.000000\nCd In S\n2 4 8\ndirect\n0.500000 0.500000 0.500000 Cd\n0.750000 0.750000 0.750000 Cd\n0.125000 0.125000 0.625000 In\n0.125000 0.125000 0.125000 In\n0.125000 0.625000 0.125000 In\n0.625000 0.125000 0.125000 In\n0.884829 0.884829 0.345512 S\n0.345512 0.884829 0.884829 S\n0.884829 0.345512 0.884829 S\n0.365171 0.365171 0.365171 S\n0.884829 0.884829 0.884829 S\n0.904488 0.365171 0.365171 S\n0.365171 0.904488 0.365171 S\n0.365171 0.365171 0.904488 S\n","nsites":14,"nelements":3,"elements":["Cd","In","S"],"chemical_system":"Cd-In-S","density":4.657291069079203,"density_atomic":0.041744655451832036,"volume":335.3722733717182,"volume_molar":14.426135980326336,"formula_full":"Cd2 In4 S8","formula_reduced":"Cd(InS2)2","formula_anonymous":"AB2C4","energy":-58.22853315,"energy_per_atom":-4.159180939285714,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-54.20453315,"band_gap":1.0503999999999998,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":6.7e-06,"is_theoretical":false,"updated_at":"2021-11-28T01:35:28.122000Z","spacegroup":227},{"id":"mp-1245693","created_at":"2022-09-04T14:41:55.985996Z","structure_string":"K4 Mg4 N4\n1.0\n10.253855 0.000000 0.000000\n0.000000 3.907726 0.000000\n0.000000 0.000000 6.701911\nK Mg N\n4 4 4\ndirect\n0.660098 0.250000 0.053298 K\n0.160098 0.250000 0.446702 K\n0.339902 0.750000 0.946702 K\n0.839902 0.750000 0.553298 K\n0.544477 0.250000 0.605514 Mg\n0.044477 0.250000 0.894486 Mg\n0.455523 0.750000 0.394486 Mg\n0.955523 0.750000 0.105514 Mg\n0.935937 0.250000 0.175828 N\n0.435937 0.250000 0.324172 N\n0.064063 0.750000 0.824172 N\n0.564063 0.750000 0.675828 N\n","nsites":12,"nelements":3,"elements":["K","Mg","N"],"chemical_system":"K-Mg-N","density":1.914680101252425,"density_atomic":0.044685982757128956,"volume":268.5405860987937,"volume_molar":13.476576743831957,"formula_full":"K4 Mg4 N4","formula_reduced":"KMgN","formula_anonymous":"ABC","energy":-47.00925303,"energy_per_atom":-3.9174377525,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-45.56525303,"band_gap":0.1956,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":9e-07,"is_theoretical":true,"updated_at":"2021-11-28T01:35:33.308000Z","spacegroup":62},{"id":"mp-1234382","created_at":"2022-09-04T14:41:55.987512Z","structure_string":"Mg1 Al4 H12 O12\n1.0\n-4.431002 3.096708 5.240689\n4.696269 -2.103334 5.564296\n4.246152 1.974504 -6.509980\nMg Al H O\n1 4 12 12\ndirect\n0.984270 0.349432 0.806445 Mg\n0.510117 0.826286 0.330409 Al\n0.478378 0.156553 0.641615 Al\n0.993188 0.670120 0.640678 Al\n0.990519 0.326778 0.309241 Al\n0.099077 0.054719 0.825845 H\n0.937868 0.975390 0.272706 H\n0.532214 0.511209 0.844482 H\n0.451124 0.433950 0.224674 H\n0.135998 0.689919 0.442142 H\n0.706281 0.302474 0.341304 H\n0.412607 0.153827 0.265044 H\n0.624191 0.877898 0.735236 H\n0.506325 0.913022 0.051824 H\n0.418202 0.207676 0.928447 H\n0.076967 0.234229 0.059012 H\n0.933447 0.699514 0.933815 H\n0.934707 0.910374 0.645718 O\n0.043313 0.066133 0.288073 O\n0.426114 0.408188 0.651350 O\n0.575678 0.587555 0.342230 O\n0.007057 0.596760 0.402104 O\n0.935695 0.372047 0.522291 O\n0.535336 0.115480 0.432462 O\n0.467703 0.886072 0.549291 O\n0.424096 0.789694 0.019678 O\n0.557059 0.187251 0.937191 O\n0.932294 0.295600 0.021175 O\n0.063857 0.661035 0.942344 O\n","nsites":29,"nelements":4,"elements":["Mg","Al","H","O"],"chemical_system":"Al-H-Mg-O","density":2.2227643254284404,"density_atomic":0.11542253612218868,"volume":251.25076067727363,"volume_molar":5.217473954674534,"formula_full":"Mg1 Al4 H12 O12","formula_reduced":"MgAl4(HO)12","formula_anonymous":"AB4C12D12","energy":-171.53123763,"energy_per_atom":-5.914870263103448,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-163.28723763,"band_gap":1.1046000000000005,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:35:29.020000Z","spacegroup":1},{"id":"mp-1222726","created_at":"2022-09-04T14:41:56.744269Z","structure_string":"Li1 Ti2 Te4\n1.0\n1.939562 7.747756 0.000000\n-1.939562 7.747756 0.000000\n0.000000 2.851907 6.032871\nLi Ti Te\n1 2 4\ndirect\n0.000000 0.000000 0.000000 Li\n0.751058 0.751058 0.238596 Ti\n0.248942 0.248942 0.761404 Ti\n0.127318 0.127318 0.211813 Te\n0.630778 0.630778 0.697229 Te\n0.872682 0.872682 0.788187 Te\n0.369222 0.369222 0.302771 Te\n","nsites":7,"nelements":3,"elements":["Li","Ti","Te"],"chemical_system":"Li-Te-Ti","density":5.6147324690275315,"density_atomic":0.03860685314021574,"volume":181.31495914926785,"volume_molar":15.598631512722012,"formula_full":"Li1 Ti2 Te4","formula_reduced":"Li(TiTe2)2","formula_anonymous":"AB2C4","energy":-37.39934006,"energy_per_atom":-5.342762865714286,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-35.71134006,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.0176287,"is_theoretical":true,"updated_at":"2021-11-28T01:35:31.317000Z","spacegroup":12},{"id":"mp-1215046","created_at":"2022-09-04T14:41:55.963165Z","structure_string":"Ag12 H4 S4 N12 O8\n1.0\n7.102065 0.000000 0.000000\n0.000000 9.027617 0.000000\n0.000000 0.000000 11.375183\nAg H S N O\n12 4 4 12 8\ndirect\n0.008504 0.050194 0.119837 Ag\n0.991496 0.949806 0.880163 Ag\n0.508504 0.949806 0.880163 Ag\n0.491496 0.949806 0.619837 Ag\n0.491496 0.050194 0.119837 Ag\n0.508504 0.050194 0.380163 Ag\n0.991496 0.050194 0.380163 Ag\n0.008504 0.949806 0.619837 Ag\n0.250000 0.276597 0.248739 Ag\n0.750000 0.723402 0.751261 Ag\n0.250000 0.723402 0.748739 Ag\n0.750000 0.276597 0.251261 Ag\n0.250000 0.862932 0.219942 H\n0.750000 0.137068 0.780058 H\n0.250000 0.137068 0.719942 H\n0.750000 0.862932 0.280058 H\n0.250000 0.237601 0.543883 S\n0.750000 0.762399 0.456117 S\n0.250000 0.762399 0.043883 S\n0.750000 0.237601 0.956117 S\n0.250000 0.161019 0.414838 N\n0.750000 0.838981 0.585162 N\n0.250000 0.838981 0.914838 N\n0.750000 0.161019 0.085162 N\n0.250000 0.086982 0.638345 N\n0.750000 0.913018 0.361655 N\n0.250000 0.913018 0.138345 N\n0.750000 0.086982 0.861655 N\n0.250000 0.351592 0.081731 N\n0.750000 0.648408 0.918269 N\n0.250000 0.648408 0.581731 N\n0.750000 0.351592 0.418269 N\n0.074579 0.314378 0.566592 O\n0.925421 0.685622 0.433408 O\n0.574579 0.685622 0.433408 O\n0.425421 0.685622 0.066592 O\n0.425421 0.314378 0.566592 O\n0.574579 0.314378 0.933408 O\n0.925421 0.314378 0.933408 O\n0.074579 0.685622 0.066592 O\n","nsites":40,"nelements":5,"elements":["Ag","H","S","N","O"],"chemical_system":"Ag-H-N-O-S","density":3.9225113616947787,"density_atomic":0.05484585746979579,"volume":729.3167040378288,"volume_molar":10.980119625837663,"formula_full":"Ag12 H4 S4 N12 O8","formula_reduced":"Ag3HSN3O2","formula_anonymous":"ABC2D3E3","energy":-197.04170823,"energy_per_atom":-4.9260427057500005,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-187.21370823,"band_gap":0.2029,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":10.8315118,"is_theoretical":true,"updated_at":"2021-11-28T01:35:29.900000Z","spacegroup":57},{"id":"mp-1222547","created_at":"2022-09-04T14:41:55.980227Z","structure_string":"Li4 V1 Fe3 P4 O16\n1.0\n6.110671 0.000000 0.000000\n0.000000 4.752080 0.000000\n0.000000 0.013343 10.463413\nLi V Fe P O\n4 1 3 4 16\ndirect\n0.250711 0.500157 0.499607 Li\n0.749878 0.999500 0.999797 Li\n0.749289 0.500157 0.499607 Li\n0.250122 0.999500 0.999797 Li\n0.000000 0.517224 0.777685 V\n0.000000 0.974805 0.280983 Fe\n0.500000 0.475052 0.217894 Fe\n0.500000 0.023471 0.719542 Fe\n0.000000 0.081444 0.594196 P\n0.000000 0.418061 0.094732 P\n0.500000 0.918143 0.405370 P\n0.500000 0.583888 0.905914 P\n0.202738 0.214752 0.665256 O\n0.797578 0.284519 0.165499 O\n0.702662 0.784810 0.335047 O\n0.298650 0.720274 0.835867 O\n0.297338 0.784810 0.335047 O\n0.701350 0.720274 0.835867 O\n0.797262 0.214752 0.665256 O\n0.202422 0.284519 0.165499 O\n0.000000 0.758489 0.596405 O\n0.000000 0.741334 0.097094 O\n0.500000 0.241633 0.403273 O\n0.500000 0.260114 0.903066 O\n0.000000 0.292744 0.957489 O\n0.000000 0.206395 0.457176 O\n0.500000 0.705507 0.043952 O\n0.500000 0.793668 0.543083 O\n","nsites":28,"nelements":5,"elements":["Li","V","Fe","P","O"],"chemical_system":"Fe-Li-O-P-V","density":3.4218800909301574,"density_atomic":0.09215353908304118,"volume":303.8407453322949,"volume_molar":6.534899060765689,"formula_full":"Li4 V1 Fe3 P4 O16","formula_reduced":"Li4VFe3(PO4)4","formula_anonymous":"AB3C4D4E16","energy":-213.43889587,"energy_per_atom":-7.622817709642858,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-193.97889587,"band_gap":2.7265999999999995,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":14.9999713,"is_theoretical":true,"updated_at":"2021-11-28T01:35:31.646000Z","spacegroup":6},{"id":"mp-1044192","created_at":"2022-09-04T14:41:55.981940Z","structure_string":"Ca2 Mn4 P4 O20\n1.0\n0.000000 5.805867 8.086651\n3.672647 0.000000 8.086651\n3.672647 5.805867 0.000000\nCa Mn P O\n2 4 4 20\ndirect\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 Ca\n0.625000 0.625000 0.125000 Mn\n0.625000 0.125000 0.625000 Mn\n0.625000 0.625000 0.625000 Mn\n0.125000 0.625000 0.625000 Mn\n0.791844 0.791844 0.208156 P\n0.458156 0.458156 0.041844 P\n0.208156 0.208156 0.791844 P\n0.041844 0.041844 0.458156 P\n0.974846 0.326896 0.006953 O\n0.416990 0.416990 0.583010 O\n0.895971 0.074347 0.388921 O\n0.243047 0.558696 0.275154 O\n0.326896 0.974846 0.691304 O\n0.354029 0.175653 0.861079 O\n0.833010 0.833010 0.666990 O\n0.583010 0.583010 0.416990 O\n0.666990 0.666990 0.833010 O\n0.275154 0.923104 0.243047 O\n0.691304 0.006953 0.326896 O\n0.558696 0.243047 0.923104 O\n0.006953 0.691304 0.974846 O\n0.074347 0.895971 0.640761 O\n0.609239 0.861079 0.175653 O\n0.388921 0.640761 0.895971 O\n0.861079 0.609239 0.354029 O\n0.640761 0.388921 0.074347 O\n0.923104 0.275154 0.558696 O\n0.175653 0.354029 0.609239 O\n","nsites":30,"nelements":4,"elements":["Ca","Mn","P","O"],"chemical_system":"Ca-Mn-O-P","density":3.581419409515712,"density_atomic":0.08699139355332546,"volume":344.8617015384412,"volume_molar":6.922685697992004,"formula_full":"Ca2 Mn4 P4 O20","formula_reduced":"CaMn2(PO5)2","formula_anonymous":"AB2C2D10","energy":-234.50341561,"energy_per_atom":-7.816780520333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-214.09141561,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":11.9988152,"is_theoretical":true,"updated_at":"2021-11-28T01:35:32.577000Z","spacegroup":70},{"id":"mp-1177807","created_at":"2022-09-04T14:41:56.012331Z","structure_string":"Li6 Cr8 P10 O48\n1.0\n0.000887 8.273057 -0.000682\n-8.191112 4.135660 -0.021755\n-1.235339 -4.137732 13.074142\nLi Cr P O\n6 8 10 48\ndirect\n0.946998 0.993304 0.264691 Li\n0.325369 0.493313 0.770838 Li\n0.677067 0.510623 0.240732 Li\n0.983821 0.541962 0.044011 Li\n0.059071 0.005328 0.740949 Li\n0.517481 0.045698 0.545091 Li\n0.528826 0.986856 0.180166 Cr\n0.184451 0.714829 0.977112 Cr\n0.925348 0.779981 0.521543 Cr\n0.663906 0.486002 0.680538 Cr\n0.343156 0.511498 0.320973 Cr\n0.077014 0.214375 0.477107 Cr\n0.815345 0.280705 0.020823 Cr\n0.465832 0.012369 0.820109 Cr\n0.289679 0.873482 0.606143 P\n0.801962 0.943895 0.040023 P\n0.845505 0.751501 0.748790 P\n0.559192 0.623153 0.895234 P\n0.711181 0.552702 0.461305 P\n0.294828 0.443262 0.540705 P\n0.443651 0.374433 0.106966 P\n0.150724 0.251641 0.248565 P\n0.196048 0.053005 0.960323 P\n0.713594 0.121966 0.395600 P\n0.106413 0.934921 0.916759 O\n0.293145 0.989204 0.528023 O\n0.304570 0.946147 0.713013 O\n0.674751 0.900439 0.768566 O\n0.375652 0.962217 0.051636 O\n0.091291 0.880235 0.583551 O\n0.546596 0.792358 0.893521 O\n0.753940 0.896870 0.129851 O\n0.874582 0.819695 0.658755 O\n0.597279 0.806914 0.231562 O\n0.958517 0.760184 0.411278 O\n0.031768 0.689181 0.838969 O\n0.448265 0.704143 0.608544 O\n0.949944 0.778357 0.015068 O\n0.727383 0.712188 0.489345 O\n0.386586 0.615338 0.914309 O\n0.305242 0.740568 0.086623 O\n0.177835 0.689261 0.267361 O\n0.808935 0.600931 0.726629 O\n0.546050 0.548186 0.789746 O\n0.751061 0.511431 0.978324 O\n0.524564 0.602073 0.372073 O\n0.128103 0.560294 0.582279 O\n0.286629 0.533759 0.447549 O\n0.715476 0.460724 0.552722 O\n0.874268 0.434924 0.417051 O\n0.481511 0.393635 0.629643 O\n0.245995 0.489518 0.028663 O\n0.464654 0.447559 0.213604 O\n0.195446 0.398673 0.269093 O\n0.827321 0.307053 0.733099 O\n0.689499 0.262530 0.910678 O\n0.611702 0.380429 0.082848 O\n0.285479 0.278512 0.515281 O\n0.048399 0.212804 0.988211 O\n0.555198 0.291375 0.393602 O\n0.963202 0.321739 0.158376 O\n0.039889 0.239368 0.586640 O\n0.398597 0.191472 0.767879 O\n0.116429 0.189621 0.338545 O\n0.243270 0.101153 0.870348 O\n0.455735 0.205497 0.110098 O\n0.912691 0.114372 0.414400 O\n0.626454 0.034590 0.946994 O\n0.313733 0.100116 0.225269 O\n0.695086 0.046703 0.290302 O\n0.716672 0.010784 0.479139 O\n0.894700 0.060317 0.080982 O\n","nsites":72,"nelements":4,"elements":["Li","Cr","P","O"],"chemical_system":"Cr-Li-O-P","density":2.876785945194695,"density_atomic":0.08124394732573782,"volume":886.2198646174178,"volume_molar":7.412417734769768,"formula_full":"Li6 Cr8 P10 O48","formula_reduced":"Li3Cr4P5O24","formula_anonymous":"A3B4C5D24","energy":-543.44773233,"energy_per_atom":-7.54788517125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-494.47973232999993,"band_gap":0.9424,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":8.0031036,"is_theoretical":true,"updated_at":"2021-11-28T01:35:33.392000Z","spacegroup":1},{"id":"mp-1063255","created_at":"2022-09-04T14:41:56.022562Z","structure_string":"La1 Pd2\n1.0\n-2.003874 2.003874 4.471731\n2.003874 -2.003874 4.471731\n2.003874 2.003874 -4.471731\nLa Pd\n1 2\ndirect\n0.000000 0.000000 0.000000 La\n0.750000 0.250000 0.500000 Pd\n0.250000 0.750000 0.500000 Pd\n","nsites":3,"nelements":2,"elements":["La","Pd"],"chemical_system":"La-Pd","density":8.132070367747533,"density_atomic":0.04176810502354823,"volume":71.82514021904142,"volume_molar":14.418036816860154,"formula_full":"La1 Pd2","formula_reduced":"LaPd2","formula_anonymous":"AB2","energy":-17.09318186,"energy_per_atom":-5.697727286666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-17.09318186,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0025974,"is_theoretical":false,"updated_at":"2021-11-28T01:35:28.670000Z","spacegroup":139},{"id":"mp-1228890","created_at":"2022-09-04T14:41:56.066694Z","structure_string":"Al1 In1 Sb2\n1.0\n4.550236 0.000000 0.000000\n0.000000 4.550236 0.000000\n0.000000 0.000000 6.398853\nAl In Sb\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 In\n0.000000 0.500000 0.232407 Sb\n0.500000 0.000000 0.767593 Sb\n","nsites":4,"nelements":3,"elements":["Al","In","Sb"],"chemical_system":"Al-In-Sb","density":4.829477549251099,"density_atomic":0.030191870066669582,"volume":132.4859967655933,"volume_molar":19.94623303128269,"formula_full":"Al1 In1 Sb2","formula_reduced":"AlInSb2","formula_anonymous":"ABC2","energy":-15.66034505,"energy_per_atom":-3.9150862625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-15.27634505,"band_gap":0.3185000000000002,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0013538,"is_theoretical":true,"updated_at":"2021-11-28T01:35:31.330000Z","spacegroup":115},{"id":"mp-1233067","created_at":"2022-09-04T14:41:56.202478Z","structure_string":"Ca1 Si6 O12\n1.0\n4.692068 -0.183693 1.844877\n1.667953 6.602463 2.266922\n-0.011291 -0.116743 8.245070\nCa Si O\n1 6 12\ndirect\n0.712184 0.153469 0.600145 Ca\n0.348691 0.325549 0.309911 Si\n0.011168 0.211277 0.146526 Si\n0.658605 0.660885 0.668590 Si\n0.982827 0.806644 0.872616 Si\n0.083413 0.259401 0.766321 Si\n0.977832 0.756126 0.257187 Si\n0.801295 0.425272 0.683744 O\n0.926124 0.049111 0.829702 O\n0.239676 0.568813 0.297629 O\n0.089880 0.965881 0.187112 O\n0.190102 0.182332 0.486005 O\n0.929541 0.326258 0.966879 O\n0.312409 0.699117 0.774744 O\n0.785177 0.779097 0.760543 O\n0.700655 0.275962 0.303910 O\n0.293492 0.281608 0.142184 O\n0.887151 0.727947 0.092213 O\n0.719777 0.768464 0.452252 O\n","nsites":19,"nelements":3,"elements":["Ca","Si","O"],"chemical_system":"Ca-O-Si","density":2.5685133687467396,"density_atomic":0.07336568080429633,"volume":258.9766739939712,"volume_molar":8.20838939130698,"formula_full":"Ca1 Si6 O12","formula_reduced":"Ca(SiO2)6","formula_anonymous":"AB6C12","energy":-152.11225615,"energy_per_atom":-8.005908218421053,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-143.86825615,"band_gap":2.7153,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:35:37.115000Z","spacegroup":1},{"id":"mp-1205518","created_at":"2022-09-04T14:41:57.423721Z","structure_string":"Y4 Mg2 Pd4\n1.0\n0.000000 0.000000 3.896330\n7.611539 0.000000 0.000000\n0.000000 7.611539 0.000000\nY Mg Pd\n4 2 4\ndirect\n0.500000 0.170322 0.670322 Y\n0.500000 0.829678 0.329678 Y\n0.500000 0.329678 0.170322 Y\n0.500000 0.670322 0.829678 Y\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.000000 0.630884 0.130884 Pd\n0.000000 0.369116 0.869116 Pd\n0.000000 0.869116 0.630884 Pd\n0.000000 0.130884 0.369116 Pd\n","nsites":10,"nelements":3,"elements":["Y","Mg","Pd"],"chemical_system":"Mg-Pd-Y","density":6.104937020480944,"density_atomic":0.04429954990602197,"volume":225.7359278190008,"volume_molar":13.594135319152228,"formula_full":"Y4 Mg2 Pd4","formula_reduced":"Y2MgPd2","formula_anonymous":"AB2C2","energy":-57.52298292,"energy_per_atom":-5.752298292,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-57.52298292,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0138844,"is_theoretical":true,"updated_at":"2021-11-28T01:35:34.709000Z","spacegroup":127}]}