{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formation_energy_per_atom&page=40","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formation_energy_per_atom&page=38","results":[{"id":"mp-1186109","created_at":"2022-09-04T14:39:07.809593Z","structure_string":"Na1 Au3\n1.0\n-2.049983 2.049983 4.417304\n2.049983 -2.049983 4.417304\n2.049983 2.049983 -4.417304\nNa Au\n1 3\ndirect\n0.000000 0.000000 0.000000 Na\n0.750000 0.250000 0.500000 Au\n0.250000 0.750000 0.500000 Au\n0.500000 0.500000 0.000000 Au\n","nsites":4,"nelements":2,"elements":["Na","Au"],"chemical_system":"Au-Na","density":13.728449386316031,"density_atomic":0.053869406688960904,"volume":74.2536487007512,"volume_molar":11.179148110487873,"formula_full":"Na1 Au3","formula_reduced":"NaAu3","formula_anonymous":"AB3","energy":-11.92595154,"energy_per_atom":-2.981487885,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-11.92595154,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000282,"is_theoretical":true,"updated_at":"2021-11-28T01:34:24.240000Z","spacegroup":139},{"id":"mp-1274025","created_at":"2022-09-04T14:39:07.816231Z","structure_string":"Fe4 P4 H24 N4 O20\n1.0\n5.711465 -0.002545 4.828115\n-0.013019 9.012078 4.838565\n-5.734017 -0.000234 4.854232\nFe P H N O\n4 4 24 4 20\ndirect\n0.994054 0.018655 0.493747 Fe\n0.012809 0.981266 0.012364 Fe\n0.491672 0.024361 0.989589 Fe\n0.515735 0.975633 0.513563 Fe\n0.885389 0.802750 0.386603 P\n0.387219 0.805541 0.885760 P\n0.192423 0.194317 0.191447 P\n0.688105 0.197216 0.689548 P\n0.381271 0.543157 0.884875 H\n0.883165 0.541875 0.385935 H\n0.924332 0.456816 0.927987 H\n0.425071 0.458158 0.427827 H\n0.200432 0.546094 0.703854 H\n0.700981 0.547065 0.204694 H\n0.248053 0.452889 0.251846 H\n0.746408 0.453914 0.749913 H\n0.430766 0.415636 0.778682 H\n0.930024 0.414778 0.278858 H\n0.284423 0.409784 0.929654 H\n0.783102 0.410614 0.429974 H\n0.193981 0.589444 0.340608 H\n0.694424 0.590216 0.839558 H\n0.846608 0.584328 0.694374 H\n0.345094 0.585160 0.193680 H\n0.259282 0.192571 0.619079 H\n0.762100 0.186636 0.126693 H\n0.119348 0.193215 0.751827 H\n0.623970 0.188244 0.262429 H\n0.312245 0.806789 0.444825 H\n0.812066 0.812097 0.949875 H\n0.949283 0.813563 0.813163 H\n0.451286 0.807554 0.311168 H\n0.324706 0.478107 0.824963 N\n0.824731 0.477893 0.325273 N\n0.802855 0.521880 0.803117 N\n0.302746 0.522098 0.303228 N\n0.214431 0.837921 0.714949 O\n0.716456 0.833316 0.214582 O\n0.051891 0.162053 0.052913 O\n0.549860 0.166432 0.548198 O\n0.993133 0.632210 0.501452 O\n0.489564 0.634805 0.000326 O\n0.124662 0.365022 0.135216 O\n0.625599 0.367823 0.633347 O\n0.243069 0.206484 0.740536 O\n0.750122 0.197132 0.250984 O\n0.947274 0.803097 0.947816 O\n0.449116 0.793727 0.446559 O\n0.034496 0.872586 0.316764 O\n0.537772 0.871994 0.813660 O\n0.810303 0.877902 0.529698 O\n0.317129 0.883754 0.027043 O\n0.687566 0.122633 0.907691 O\n0.200364 0.116205 0.410886 O\n0.409409 0.127470 0.186214 O\n0.907026 0.127120 0.689989 O\n","nsites":56,"nelements":5,"elements":["Fe","P","H","N","O"],"chemical_system":"Fe-H-N-O-P","density":2.4852760899597293,"density_atomic":0.11212791773892707,"volume":499.42959014353187,"volume_molar":5.37077730634546,"formula_full":"Fe4 P4 H24 N4 O20","formula_reduced":"FePH6NO5","formula_anonymous":"ABCD5E6","energy":-353.66252199,"energy_per_atom":-6.315402178392858,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-329.45452199,"band_gap":3.8143,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":15.9999641,"is_theoretical":true,"updated_at":"2021-11-28T01:34:26.698000Z","spacegroup":9},{"id":"mp-1289222","created_at":"2022-09-04T14:39:07.786733Z","structure_string":"Mg4 Fe2 Ir2 O12\n1.0\n5.140021 0.000019 -0.019152\n0.000022 5.321160 0.000435\n-0.013280 0.000620 7.583000\nMg Fe Ir O\n4 2 2 12\ndirect\n0.010914 0.940206 0.247814 Mg\n0.489066 0.440194 0.252213 Mg\n0.510933 0.559805 0.747787 Mg\n0.989086 0.059793 0.752186 Mg\n0.000002 0.500006 0.999993 Fe\n0.500003 0.000002 0.500005 Fe\n0.999999 0.499999 0.500000 Ir\n0.500000 0.000000 0.000000 Ir\n0.134338 0.430446 0.745620 O\n0.182226 0.184908 0.069855 O\n0.176944 0.188521 0.427291 O\n0.323077 0.688567 0.072702 O\n0.317756 0.684919 0.430157 O\n0.365678 0.930462 0.754394 O\n0.634322 0.069537 0.245606 O\n0.682243 0.315081 0.569843 O\n0.676922 0.311433 0.927298 O\n0.817774 0.815090 0.930145 O\n0.823056 0.811478 0.572710 O\n0.865661 0.569553 0.254379 O\n","nsites":20,"nelements":4,"elements":["Mg","Fe","Ir","O"],"chemical_system":"Fe-Ir-Mg-O","density":6.287755064700875,"density_atomic":0.0964318648435096,"volume":207.4003238707056,"volume_molar":6.244969720094886,"formula_full":"Mg4 Fe2 Ir2 O12","formula_reduced":"Mg2FeIrO6","formula_anonymous":"ABC2D6","energy":-140.46338608000002,"energy_per_atom":-7.023169304000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-127.70738608,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.9952525,"is_theoretical":true,"updated_at":"2021-11-28T01:34:32.822000Z","spacegroup":14},{"id":"mp-558909","created_at":"2022-09-04T14:39:07.892545Z","structure_string":"Rb4 V12 Cd12 O44\n1.0\n9.968229 0.000000 0.000000\n0.000000 8.568776 0.000000\n0.000000 1.864606 12.738654\nRb V Cd O\n4 12 12 44\ndirect\n0.747572 0.888623 0.509737 Rb\n0.247572 0.111377 0.990263 Rb\n0.252428 0.111377 0.490263 Rb\n0.752428 0.888623 0.009737 Rb\n0.675213 0.679163 0.784161 V\n0.431847 0.764436 0.149269 V\n0.068153 0.764436 0.649269 V\n0.567791 0.222452 0.605392 V\n0.568153 0.235564 0.850731 V\n0.324787 0.320837 0.215839 V\n0.824787 0.679163 0.284161 V\n0.432209 0.777548 0.394608 V\n0.175213 0.320837 0.715839 V\n0.067791 0.777548 0.894608 V\n0.932209 0.222452 0.105392 V\n0.931847 0.235564 0.350731 V\n0.895091 0.432576 0.846955 Cd\n0.645168 0.452376 0.067819 Cd\n0.375104 0.919686 0.761253 Cd\n0.124896 0.919686 0.261253 Cd\n0.875104 0.080314 0.738747 Cd\n0.854832 0.452376 0.567819 Cd\n0.354832 0.547624 0.932181 Cd\n0.604909 0.432576 0.346955 Cd\n0.145168 0.547624 0.432181 Cd\n0.624896 0.080314 0.238747 Cd\n0.395091 0.567424 0.653045 Cd\n0.104909 0.567424 0.153045 Cd\n0.007735 0.678934 0.282968 O\n0.769519 0.868799 0.266357 O\n0.269519 0.131201 0.233643 O\n0.256225 0.784195 0.396673 O\n0.495208 0.676023 0.507503 O\n0.730481 0.868799 0.766357 O\n0.258288 0.782513 0.149100 O\n0.498371 0.962070 0.376534 O\n0.510490 0.346350 0.944840 O\n0.732649 0.583387 0.907263 O\n0.983597 0.323401 0.216867 O\n0.992265 0.321066 0.717032 O\n0.504792 0.323977 0.492497 O\n0.232649 0.416613 0.592737 O\n0.741712 0.217487 0.850900 O\n0.489510 0.653650 0.055160 O\n0.483597 0.676599 0.283133 O\n0.267351 0.416613 0.092737 O\n0.260678 0.420159 0.312832 O\n0.743775 0.215805 0.603327 O\n0.010490 0.653650 0.555160 O\n0.516403 0.323401 0.716867 O\n0.998371 0.037930 0.123466 O\n0.004792 0.676023 0.007503 O\n0.758288 0.217487 0.350900 O\n0.997856 0.946227 0.627583 O\n0.239322 0.420159 0.812832 O\n0.002144 0.053773 0.372417 O\n0.001629 0.962070 0.876534 O\n0.016403 0.676599 0.783133 O\n0.739322 0.579841 0.687168 O\n0.497856 0.053773 0.872417 O\n0.756225 0.215805 0.103327 O\n0.507735 0.321066 0.217032 O\n0.995208 0.323977 0.992497 O\n0.243775 0.784195 0.896673 O\n0.767351 0.583387 0.407263 O\n0.501629 0.037930 0.623466 O\n0.989510 0.346350 0.444840 O\n0.760678 0.579841 0.187168 O\n0.502144 0.946227 0.127583 O\n0.230481 0.131201 0.733643 O\n0.492265 0.678934 0.782968 O\n0.241712 0.782513 0.649100 O\n","nsites":72,"nelements":4,"elements":["Rb","V","Cd","O"],"chemical_system":"Cd-O-Rb-V","density":4.5876316713221215,"density_atomic":0.06617167961450585,"volume":1088.0787735697206,"volume_molar":9.100782683895869,"formula_full":"Rb4 V12 Cd12 O44","formula_reduced":"RbV3Cd3O11","formula_anonymous":"AB3C3D11","energy":-492.9786697799999,"energy_per_atom":-6.846925969166666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-442.35066978,"band_gap":2.978,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0041479,"is_theoretical":false,"updated_at":"2021-11-28T01:34:25.015000Z","spacegroup":14},{"id":"mp-755168","created_at":"2022-09-04T14:39:07.899391Z","structure_string":"V8 O12 F4\n1.0\n3.083850 -6.615369 0.000000\n3.083850 6.615369 0.000000\n0.000000 0.000000 6.379488\nV O F\n8 12 4\ndirect\n0.879860 0.627462 0.750000 V\n0.372538 0.120140 0.750000 V\n0.381611 0.618389 0.750000 V\n0.873067 0.126933 0.750000 V\n0.126933 0.873067 0.250000 V\n0.618389 0.381611 0.250000 V\n0.120140 0.372538 0.250000 V\n0.627462 0.879860 0.250000 V\n0.524911 0.475089 0.750000 O\n0.375318 0.126361 0.449494 O\n0.873639 0.624682 0.449494 O\n0.624682 0.873639 0.550506 O\n0.873639 0.624682 0.050506 O\n0.375318 0.126361 0.050506 O\n0.126361 0.375318 0.550506 O\n0.475089 0.524911 0.250000 O\n0.224094 0.775906 0.750000 O\n0.775906 0.224094 0.250000 O\n0.126361 0.375318 0.949494 O\n0.624682 0.873639 0.949494 O\n0.023735 0.976265 0.750000 F\n0.724135 0.275865 0.750000 F\n0.976265 0.023735 0.250000 F\n0.275865 0.724135 0.250000 F\n","nsites":24,"nelements":3,"elements":["V","O","F"],"chemical_system":"F-O-V","density":4.3094629250987975,"density_atomic":0.09220364751750491,"volume":260.2933901876668,"volume_molar":6.531347644198884,"formula_full":"V8 O12 F4","formula_reduced":"V2O3F","formula_anonymous":"AB2C3","energy":-201.64256807,"energy_per_atom":-8.401773669583333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-177.95056807,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":11.9986718,"is_theoretical":true,"updated_at":"2021-11-28T01:34:34.969000Z","spacegroup":63},{"id":"mp-1182536","created_at":"2022-09-04T14:39:07.915621Z","structure_string":"Ca6 As4 O38\n1.0\n11.881052 0.358869 0.290287\n-4.198938 10.873517 -0.437259\n0.290679 -0.203975 6.080458\nCa As O\n6 4 38\ndirect\n0.825423 0.440327 0.677178 Ca\n0.174577 0.559673 0.322822 Ca\n0.882765 0.677618 0.191100 Ca\n0.117235 0.322382 0.808900 Ca\n0.849454 0.096114 0.484783 Ca\n0.150546 0.903886 0.515217 Ca\n0.731130 0.842057 0.742511 As\n0.268870 0.157943 0.257489 As\n0.910039 0.372192 0.202158 As\n0.089961 0.627808 0.797842 As\n0.811899 0.866358 0.040346 O\n0.188101 0.133642 0.959654 O\n0.871833 0.892661 0.566274 O\n0.128167 0.107339 0.433726 O\n0.659342 0.694705 0.747549 O\n0.340658 0.305295 0.252451 O\n0.578822 0.929629 0.111045 O\n0.421178 0.070371 0.888955 O\n0.056397 0.376486 0.157229 O\n0.943603 0.623514 0.842771 O\n0.922015 0.516321 0.325772 O\n0.077985 0.483679 0.674228 O\n0.837178 0.279688 0.411066 O\n0.162822 0.720312 0.588934 O\n0.834882 0.336610 0.965330 O\n0.165118 0.663390 0.034670 O\n0.568240 0.287691 0.632380 O\n0.431760 0.712309 0.367620 O\n0.685495 0.524943 0.388491 O\n0.314505 0.475057 0.611509 O\n0.698884 0.520250 0.021625 O\n0.301116 0.479750 0.978375 O\n0.941144 0.813569 0.527373 O\n0.058856 0.186431 0.472627 O\n0.061665 0.834866 0.193210 O\n0.938335 0.165134 0.806790 O\n0.868103 0.978388 0.116186 O\n0.131897 0.021612 0.883814 O\n0.686599 0.955785 0.672108 O\n0.313401 0.044215 0.327892 O\n0.639762 0.041200 0.172760 O\n0.360238 0.958800 0.827240 O\n0.583960 0.118258 0.212028 O\n0.416040 0.881742 0.787972 O\n0.529434 0.699610 0.319790 O\n0.470566 0.300390 0.680210 O\n0.643465 0.463577 0.200938 O\n0.356535 0.536423 0.799062 O\n","nsites":48,"nelements":3,"elements":["Ca","As","O"],"chemical_system":"As-Ca-O","density":2.4044395888394847,"density_atomic":0.060536086244797026,"volume":792.915481947357,"volume_molar":9.948018006396296,"formula_full":"Ca6 As4 O38","formula_reduced":"Ca3As2O19","formula_anonymous":"A2B3C19","energy":-261.19608883,"energy_per_atom":-5.441585183958334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-261.19608883,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":10.4517765,"is_theoretical":true,"updated_at":"2021-11-28T01:34:43.600000Z","spacegroup":2},{"id":"mp-773067","created_at":"2022-09-04T14:39:07.926487Z","structure_string":"Er12 Ta4 O28\n1.0\n7.428583 0.000000 0.000000\n0.000000 7.507764 0.000000\n0.000000 0.000000 10.525805\nEr Ta O\n12 4 28\ndirect\n0.012454 0.795294 0.250000 Er\n0.251852 0.967841 0.519695 Er\n0.251852 0.967841 0.980305 Er\n0.248148 0.467841 0.019695 Er\n0.248148 0.467841 0.480305 Er\n0.487546 0.295294 0.750000 Er\n0.512454 0.704706 0.250000 Er\n0.751852 0.532159 0.519695 Er\n0.751852 0.532159 0.980305 Er\n0.748148 0.032159 0.019695 Er\n0.748148 0.032159 0.480305 Er\n0.987546 0.204706 0.750000 Er\n0.999393 0.747634 0.750000 Ta\n0.500607 0.247634 0.250000 Ta\n0.499393 0.752366 0.750000 Ta\n0.000607 0.252366 0.250000 Ta\n0.036174 0.045700 0.124030 O\n0.036174 0.045700 0.375970 O\n0.040110 0.582200 0.611711 O\n0.040110 0.582200 0.888289 O\n0.248495 0.336063 0.250000 O\n0.254964 0.731176 0.116005 O\n0.254964 0.731176 0.383995 O\n0.245036 0.231176 0.616005 O\n0.245036 0.231176 0.883995 O\n0.251505 0.836063 0.750000 O\n0.459890 0.082200 0.111711 O\n0.459890 0.082200 0.388289 O\n0.463826 0.545700 0.624030 O\n0.463826 0.545700 0.875970 O\n0.536174 0.454300 0.124030 O\n0.536174 0.454300 0.375970 O\n0.540110 0.917800 0.611711 O\n0.540110 0.917800 0.888289 O\n0.748495 0.163937 0.250000 O\n0.754964 0.768824 0.116005 O\n0.754964 0.768824 0.383995 O\n0.745036 0.268824 0.616005 O\n0.745036 0.268824 0.883995 O\n0.751505 0.663937 0.750000 O\n0.959890 0.417800 0.111711 O\n0.959890 0.417800 0.388289 O\n0.963826 0.954300 0.624030 O\n0.963826 0.954300 0.875970 O\n","nsites":44,"nelements":3,"elements":["Er","Ta","O"],"chemical_system":"Er-O-Ta","density":8.99190459564395,"density_atomic":0.0749515750786669,"volume":587.045701892441,"volume_molar":8.034708748521087,"formula_full":"Er12 Ta4 O28","formula_reduced":"Er3TaO7","formula_anonymous":"AB3C7","energy":-410.97085717,"energy_per_atom":-9.340246753863637,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-391.73485717000005,"band_gap":3.5103000000000004,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0015759,"is_theoretical":true,"updated_at":"2021-11-28T01:34:35.793000Z","spacegroup":62},{"id":"mp-1224270","created_at":"2022-09-04T14:39:07.952774Z","structure_string":"K1 Na1 Ca3 Mg10 Si16 O48\n1.0\n10.159076 0.000000 0.000000\n-4.382621 9.581107 0.000000\n-2.794082 -2.705499 9.821764\nK Na Ca Mg Si O\n1 1 3 10 16 48\ndirect\n0.510416 0.003045 0.743540 K\n0.721865 0.442017 0.608568 Na\n0.716626 0.436425 0.110729 Ca\n0.278553 0.563786 0.892488 Ca\n0.284856 0.563179 0.388718 Ca\n0.817220 0.637401 0.413594 Mg\n0.819377 0.636095 0.904914 Mg\n0.178887 0.360644 0.589706 Mg\n0.179934 0.357384 0.089432 Mg\n0.900108 0.799811 0.700363 Mg\n0.899626 0.799069 0.201039 Mg\n0.099166 0.198487 0.799195 Mg\n0.100444 0.199823 0.301735 Mg\n0.003102 0.998563 0.004986 Mg\n0.998507 0.999822 0.501453 Mg\n0.192585 0.832958 0.949522 Si\n0.187255 0.830579 0.444794 Si\n0.357021 0.169444 0.528893 Si\n0.359478 0.167402 0.033794 Si\n0.807991 0.168161 0.551226 Si\n0.812621 0.168816 0.054715 Si\n0.643103 0.830685 0.970459 Si\n0.640638 0.832692 0.466829 Si\n0.117780 0.660029 0.656136 Si\n0.114858 0.654970 0.153966 Si\n0.460268 0.344750 0.328353 Si\n0.457805 0.341100 0.826247 Si\n0.884136 0.342292 0.842515 Si\n0.883429 0.343581 0.345456 Si\n0.539621 0.655905 0.173436 Si\n0.542196 0.658881 0.673234 Si\n0.952027 0.658152 0.610637 O\n0.944944 0.649073 0.110119 O\n0.295699 0.350704 0.785873 O\n0.294067 0.348910 0.284169 O\n0.054543 0.347822 0.889342 O\n0.055180 0.352263 0.389733 O\n0.706228 0.657371 0.718501 O\n0.703126 0.649386 0.213934 O\n0.023437 0.823836 0.910493 O\n0.018688 0.821014 0.407732 O\n0.197127 0.178975 0.497387 O\n0.198591 0.175365 0.997825 O\n0.978463 0.178763 0.590572 O\n0.980890 0.177245 0.092896 O\n0.801907 0.820487 0.003718 O\n0.799607 0.822487 0.501013 O\n0.323434 0.999599 0.514730 O\n0.329957 0.000126 0.019891 O\n0.670812 0.999981 0.481973 O\n0.675396 0.999828 0.983746 O\n0.126908 0.512882 0.666031 O\n0.122544 0.507202 0.163464 O\n0.609378 0.495963 0.407132 O\n0.613536 0.488343 0.909383 O\n0.884225 0.492625 0.839845 O\n0.876938 0.491771 0.335061 O\n0.384696 0.508062 0.088804 O\n0.386126 0.511260 0.590565 O\n0.226033 0.768363 0.817089 O\n0.218955 0.761152 0.315098 O\n0.452524 0.233893 0.430489 O\n0.456022 0.232743 0.932786 O\n0.776551 0.227494 0.686464 O\n0.780374 0.238117 0.183613 O\n0.541594 0.762430 0.065459 O\n0.542059 0.767785 0.566962 O\n0.211192 0.731655 0.054300 O\n0.217809 0.740265 0.558575 O\n0.470296 0.255134 0.689500 O\n0.479199 0.269165 0.188181 O\n0.788747 0.264323 0.443044 O\n0.786523 0.259894 0.941297 O\n0.523681 0.739885 0.811393 O\n0.519864 0.732201 0.311327 O\n0.065531 0.999342 0.223005 O\n0.065237 0.999697 0.719164 O\n0.935109 0.999564 0.774910 O\n0.934756 0.999606 0.276744 O\n","nsites":79,"nelements":6,"elements":["K","Na","Ca","Mg","Si","O"],"chemical_system":"Ca-K-Mg-Na-O-Si","density":2.8533230171617983,"density_atomic":0.08263569748740396,"volume":956.0033061019647,"volume_molar":7.287577818191644,"formula_full":"K1 Na1 Ca3 Mg10 Si16 O48","formula_reduced":"KNaCa3Mg10(SiO3)16","formula_anonymous":"ABC3D10E16F48","energy":-587.57561203,"energy_per_atom":-7.437665975063291,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-565.25561203,"band_gap":3.3256,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0007558,"is_theoretical":true,"updated_at":"2021-11-28T01:34:35.955000Z","spacegroup":1},{"id":"mp-1566","created_at":"2022-09-04T14:39:07.972403Z","structure_string":"Sm1 Fe5\n1.0\n5.088748 0.000000 0.000000\n-2.544374 4.406985 0.000000\n0.000000 0.000000 3.944794\nSm Fe\n1 5\ndirect\n0.000000 0.000000 0.000000 Sm\n0.333333 0.666667 0.000000 Fe\n0.666667 0.333333 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.500000 0.500000 0.500000 Fe\n0.000000 0.500000 0.500000 Fe\n","nsites":6,"nelements":2,"elements":["Sm","Fe"],"chemical_system":"Fe-Sm","density":8.063458590704933,"density_atomic":0.06782259528955253,"volume":88.4660926699195,"volume_molar":8.879254375757657,"formula_full":"Sm1 Fe5","formula_reduced":"SmFe5","formula_anonymous":"AB5","energy":-47.02965178,"energy_per_atom":-7.838275296666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-47.02965178,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":10.2938796,"is_theoretical":false,"updated_at":"2021-11-28T01:34:44.070000Z","spacegroup":191},{"id":"mp-3071","created_at":"2022-09-04T14:39:07.818844Z","structure_string":"Nd3 Ni13 B2\n1.0\n2.511561 -4.350152 0.000000\n2.511561 4.350152 0.000000\n0.000000 0.000000 10.920912\nNd Ni B\n3 13 2\ndirect\n0.000000 0.000000 0.671893 Nd\n0.000000 0.000000 0.328107 Nd\n0.000000 0.000000 0.000000 Nd\n0.000000 0.500000 0.867367 Ni\n0.500000 0.000000 0.500000 Ni\n0.500000 0.500000 0.500000 Ni\n0.000000 0.500000 0.500000 Ni\n0.333333 0.666667 0.319184 Ni\n0.666667 0.333333 0.319184 Ni\n0.666667 0.333333 0.680816 Ni\n0.333333 0.666667 0.680816 Ni\n0.500000 0.000000 0.132633 Ni\n0.500000 0.500000 0.132633 Ni\n0.000000 0.500000 0.132633 Ni\n0.500000 0.000000 0.867367 Ni\n0.500000 0.500000 0.867367 Ni\n0.666667 0.333333 0.000000 B\n0.333333 0.666667 0.000000 B\n","nsites":18,"nelements":3,"elements":["Nd","Ni","B"],"chemical_system":"B-Nd-Ni","density":8.470944649305313,"density_atomic":0.07542849442725108,"volume":238.6366072487441,"volume_molar":7.983906885226518,"formula_full":"Nd3 Ni13 B2","formula_reduced":"Nd3Ni13B2","formula_anonymous":"A2B3C13","energy":-109.40537154,"energy_per_atom":-6.078076196666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-109.40537154,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.4403944,"is_theoretical":false,"updated_at":"2021-11-28T01:34:30.081000Z","spacegroup":191},{"id":"mp-1522343","created_at":"2022-09-04T14:39:07.824597Z","structure_string":"Na1 Sr1 Sb1 W1 O6\n1.0\n0.000000 -4.194252 -4.194252\n4.194252 0.000000 -4.194252\n4.194252 -4.194252 -0.000000\nNa Sr Sb W O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Sr\n0.000000 0.000000 0.000000 Sb\n0.500000 0.500000 0.500000 W\n0.732402 0.267598 0.267598 O\n0.267598 0.732402 0.732402 O\n0.732402 0.267598 0.732402 O\n0.267598 0.732402 0.267598 O\n0.732402 0.732402 0.267598 O\n0.267598 0.267598 0.732402 O\n","nsites":10,"nelements":5,"elements":["Na","Sr","Sb","W","O"],"chemical_system":"Na-O-Sb-Sr-W","density":5.763686439429554,"density_atomic":0.06776515615876678,"volume":147.56846389567863,"volume_molar":8.886780613167549,"formula_full":"Na1 Sr1 Sb1 W1 O6","formula_reduced":"NaSrSbWO6","formula_anonymous":"ABCDE6","energy":-72.05149136,"energy_per_atom":-7.205149136,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-63.49149136,"band_gap":1.1150000000000002,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:34:42.894000Z","spacegroup":216},{"id":"mp-39387","created_at":"2022-09-04T14:39:06.498898Z","structure_string":"Sr2 Li2 Ta4 O12 F2\n1.0\n-3.710337 3.763242 5.267826\n3.710337 -3.763242 5.267826\n3.710337 3.763242 -5.267826\nSr Li Ta O F\n2 2 4 12 2\ndirect\n0.000000 0.500000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n0.500000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.500000 Ta\n0.000000 0.000000 0.000000 Ta\n0.000000 0.500000 0.000000 Ta\n0.500000 0.000000 0.500000 Ta\n0.063512 0.930541 0.745370 O\n0.071113 0.321113 0.750000 O\n0.063512 0.318142 0.132971 O\n0.685171 0.930541 0.367029 O\n0.936488 0.069459 0.254630 O\n0.688605 0.938605 0.750000 O\n0.928887 0.678887 0.250000 O\n0.685171 0.318142 0.754630 O\n0.936488 0.681858 0.867029 O\n0.314829 0.069459 0.632971 O\n0.314829 0.681858 0.245370 O\n0.311395 0.061395 0.250000 O\n0.600630 0.350630 0.250000 F\n0.399370 0.649370 0.750000 F\n","nsites":22,"nelements":5,"elements":["Sr","Li","Ta","O","F"],"chemical_system":"F-Li-O-Sr-Ta","density":6.450473584815776,"density_atomic":0.0747748867140229,"volume":294.21642702233925,"volume_molar":8.053694261058158,"formula_full":"Sr2 Li2 Ta4 O12 F2","formula_reduced":"SrLiTa2O6F","formula_anonymous":"ABCD2E6","energy":-192.87610027,"energy_per_atom":-8.767095466818182,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-183.70810027,"band_gap":3.6165,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002715,"is_theoretical":true,"updated_at":"2021-11-28T01:34:26.934000Z","spacegroup":74}]}