{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=updated_at&page=10267","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=updated_at&page=10265","results":[{"id":"mp-8766","created_at":"2022-09-04T14:47:05.902728Z","structure_string":"Rb4 Co2 S4\n1.0\n-3.046860 3.528888 6.624862\n3.046860 -3.528888 6.624862\n3.046860 3.528888 -6.624862\nRb Co S\n4 2 4\ndirect\n0.687660 0.353015 0.334645 Rb\n0.018369 0.853015 0.165355 Rb\n0.312340 0.646985 0.665355 Rb\n0.981631 0.146985 0.834645 Rb\n0.500000 0.250000 0.750000 Co\n0.500000 0.750000 0.250000 Co\n0.232709 0.405076 0.827633 S\n0.577443 0.905076 0.672367 S\n0.767291 0.594924 0.172367 S\n0.422557 0.094924 0.327633 S\n","nsites":10,"nelements":3,"elements":["Rb","Co","S"],"chemical_system":"Co-Rb-S","density":3.4268685190567663,"density_atomic":0.035097226495272416,"volume":284.9227987102342,"volume_molar":17.15845199566177,"formula_full":"Rb4 Co2 S4","formula_reduced":"Rb2CoS2","formula_anonymous":"AB2C2","energy":-44.13770204000001,"energy_per_atom":-4.413770204,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-42.12570204000001,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.0000183,"is_theoretical":false,"updated_at":"2021-11-28T01:37:50.985000Z","spacegroup":72},{"id":"mp-542676","created_at":"2022-09-04T14:47:01.867512Z","structure_string":"Lu4 Te8 O22\n1.0\n2.551974 6.174744 0.000000\n-2.551974 6.174744 0.000000\n0.000000 4.297116 15.567589\nLu Te O\n4 8 22\ndirect\n0.631095 0.128951 0.036616 Lu\n0.871049 0.368905 0.463384 Lu\n0.368905 0.871049 0.963384 Lu\n0.128951 0.631095 0.536616 Lu\n0.590425 0.155935 0.375494 Te\n0.844065 0.409575 0.124506 Te\n0.409575 0.844065 0.624506 Te\n0.155935 0.590425 0.875494 Te\n0.157253 0.597491 0.197116 Te\n0.402509 0.842747 0.302884 Te\n0.842747 0.402509 0.802884 Te\n0.597491 0.157253 0.697116 Te\n0.686035 0.806983 0.373192 O\n0.193017 0.313965 0.126808 O\n0.313965 0.193017 0.626808 O\n0.806983 0.686035 0.873192 O\n0.242723 0.341603 0.449167 O\n0.658397 0.757277 0.050833 O\n0.757277 0.658397 0.550833 O\n0.341603 0.242723 0.949167 O\n0.830047 0.032632 0.456549 O\n0.967368 0.169953 0.043451 O\n0.169953 0.967368 0.543451 O\n0.032632 0.830047 0.956549 O\n0.451704 0.595780 0.406461 O\n0.404220 0.548296 0.093539 O\n0.548296 0.404220 0.593539 O\n0.595780 0.451704 0.906461 O\n0.087933 0.210065 0.335063 O\n0.789935 0.912067 0.164937 O\n0.912067 0.789935 0.664937 O\n0.210065 0.087933 0.835063 O\n0.143428 0.856572 0.250000 O\n0.856572 0.143428 0.750000 O\n","nsites":34,"nelements":3,"elements":["Lu","Te","O"],"chemical_system":"Lu-O-Te","density":7.015029777192041,"density_atomic":0.06929986074511758,"volume":490.62147649979823,"volume_molar":8.689975268708286,"formula_full":"Lu4 Te8 O22","formula_reduced":"Lu2Te4O11","formula_anonymous":"A2B4C11","energy":-230.67514831,"energy_per_atom":-6.784563185588235,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-215.56114831,"band_gap":3.2212,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.1060008,"is_theoretical":false,"updated_at":"2021-11-28T01:37:50.988000Z","spacegroup":15},{"id":"mp-1224284","created_at":"2022-09-04T14:47:00.924553Z","structure_string":"Hf1 Zr2 U1 C4\n1.0\n11.128456 -1.680099 0.000000\n11.128456 1.680099 0.000000\n10.874806 0.000000 2.898941\nHf Zr U C\n1 2 1 4\ndirect\n0.996466 0.996466 0.996466 Hf\n0.503468 0.503468 0.503468 Zr\n0.250347 0.250347 0.250347 Zr\n0.749592 0.749592 0.749592 U\n0.875916 0.875916 0.875916 C\n0.625554 0.625554 0.625554 C\n0.372666 0.372666 0.372666 C\n0.125991 0.125991 0.125991 C\n","nsites":8,"nelements":4,"elements":["Hf","Zr","U","C"],"chemical_system":"C-Hf-U-Zr","density":9.91107442264055,"density_atomic":0.07379905971006621,"volume":108.40246517272085,"volume_molar":8.160186300014034,"formula_full":"Hf1 Zr2 U1 C4","formula_reduced":"HfZr2UC4","formula_anonymous":"ABC2D4","energy":-80.61784306,"energy_per_atom":-10.0772303825,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-80.61784306,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000122,"is_theoretical":true,"updated_at":"2021-11-28T01:37:50.992000Z","spacegroup":160},{"id":"mp-505679","created_at":"2022-09-04T14:47:04.960453Z","structure_string":"Hf4 V8 O28\n1.0\n8.988620 0.000000 0.000000\n0.000000 8.988620 0.000000\n0.000000 0.000000 8.988620\nHf V O\n4 8 28\ndirect\n0.000000 0.500000 0.500000 Hf\n0.500000 0.500000 0.000000 Hf\n0.500000 0.000000 0.500000 Hf\n0.000000 0.000000 0.000000 Hf\n0.384975 0.115025 0.884975 V\n0.115025 0.884975 0.384975 V\n0.884975 0.384975 0.115025 V\n0.615025 0.615025 0.615025 V\n0.615025 0.884975 0.115025 V\n0.884975 0.115025 0.615025 V\n0.115025 0.615025 0.884975 V\n0.384975 0.384975 0.384975 V\n0.500000 0.000000 0.000000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.500000 O\n0.936571 0.202333 0.090698 O\n0.436571 0.297667 0.909302 O\n0.063429 0.702333 0.409302 O\n0.297667 0.909302 0.436571 O\n0.409302 0.063429 0.702333 O\n0.909302 0.436571 0.297667 O\n0.202333 0.090698 0.936571 O\n0.090698 0.936571 0.202333 O\n0.436571 0.202333 0.409302 O\n0.409302 0.436571 0.202333 O\n0.202333 0.409302 0.436571 O\n0.297667 0.590698 0.936571 O\n0.909302 0.063429 0.797667 O\n0.797667 0.909302 0.063429 O\n0.090698 0.563429 0.702333 O\n0.590698 0.936571 0.297667 O\n0.702333 0.090698 0.563429 O\n0.936571 0.297667 0.590698 O\n0.563429 0.702333 0.090698 O\n0.063429 0.797667 0.909302 O\n0.563429 0.797667 0.590698 O\n0.590698 0.563429 0.797667 O\n0.797667 0.590698 0.563429 O\n0.702333 0.409302 0.063429 O\n","nsites":40,"nelements":3,"elements":["Hf","V","O"],"chemical_system":"Hf-O-V","density":3.5885953735649685,"density_atomic":0.05507835097429087,"volume":726.2381551450397,"volume_molar":10.933770988915368,"formula_full":"Hf4 V8 O28","formula_reduced":"HfV2O7","formula_anonymous":"AB2C7","energy":-366.49713391,"energy_per_atom":-9.16242834775,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-333.66113391,"band_gap":2.6491,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0006978,"is_theoretical":false,"updated_at":"2021-11-28T01:37:50.992000Z","spacegroup":205},{"id":"mp-1019535","created_at":"2022-09-04T14:46:59.779733Z","structure_string":"Ba1 Al2 Si2 O8\n1.0\n2.672505 -4.628914 0.000000\n2.672505 4.628914 0.000000\n0.000000 0.000000 7.963289\nBa Al Si O\n1 2 2 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.666667 0.333333 0.703067 Al\n0.333333 0.666667 0.296933 Al\n0.666667 0.333333 0.286472 Si\n0.333333 0.666667 0.713528 Si\n0.666667 0.333333 0.487414 O\n0.333333 0.666667 0.512586 O\n0.562372 0.988771 0.790429 O\n0.426400 0.437628 0.790429 O\n0.011229 0.573600 0.790429 O\n0.437628 0.011229 0.209571 O\n0.573600 0.562372 0.209571 O\n0.988771 0.426400 0.209571 O\n","nsites":13,"nelements":4,"elements":["Ba","Al","Si","O"],"chemical_system":"Al-Ba-O-Si","density":3.164377994023125,"density_atomic":0.06598166050257452,"volume":197.02444438318975,"volume_molar":9.126991824895077,"formula_full":"Ba1 Al2 Si2 O8","formula_reduced":"BaAl2(SiO4)2","formula_anonymous":"AB2C2D8","energy":-104.68985621,"energy_per_atom":-8.053065862307692,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-99.19385621,"band_gap":4.911300000000001,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":6.9e-06,"is_theoretical":false,"updated_at":"2021-11-28T01:37:50.994000Z","spacegroup":147},{"id":"mp-1177208","created_at":"2022-09-04T14:47:03.759399Z","structure_string":"Li8 V6 P16 O58\n1.0\n9.750169 0.000000 0.000000\n-4.841855 8.496300 0.000000\n-0.044473 -0.228016 14.238122\nLi V P O\n8 6 16 58\ndirect\n0.776647 0.082511 0.442301 Li\n0.672103 0.326887 0.104384 Li\n0.767562 0.682075 0.934243 Li\n0.089101 0.318015 0.565182 Li\n0.911136 0.682518 0.439521 Li\n0.232130 0.328941 0.059309 Li\n0.222967 0.916059 0.561787 Li\n0.002393 0.999523 0.994076 Li\n0.996516 0.432284 0.755306 V\n0.003366 0.571000 0.246919 V\n0.429656 0.429778 0.256244 V\n0.564227 0.567250 0.744991 V\n0.439554 0.005005 0.760310 V\n0.562711 0.992727 0.243117 V\n0.302364 0.084028 0.161427 P\n0.312458 0.222759 0.664519 P\n0.767399 0.087169 0.657032 P\n0.667377 0.339376 0.870413 P\n0.670154 0.332171 0.368095 P\n0.911571 0.218460 0.161324 P\n0.084909 0.320088 0.343766 P\n0.766523 0.676931 0.153139 P\n0.232809 0.319397 0.844806 P\n0.911600 0.678466 0.657675 P\n0.084690 0.782070 0.839234 P\n0.328901 0.668377 0.632687 P\n0.332424 0.659985 0.130131 P\n0.233001 0.915763 0.343835 P\n0.690117 0.775341 0.334615 P\n0.701766 0.918863 0.838725 P\n0.247901 0.990257 0.437002 O\n0.340013 0.079803 0.664114 O\n0.225194 0.245200 0.936661 O\n0.341114 0.260595 0.164774 O\n0.467508 0.090826 0.167929 O\n0.512721 0.190454 0.828578 O\n0.617426 0.096729 0.684173 O\n0.805548 0.998391 0.920847 O\n0.738344 0.078121 0.163269 O\n0.521857 0.338133 0.322542 O\n0.475109 0.377709 0.678567 O\n0.664743 0.182802 0.320464 O\n0.660714 0.340867 0.975530 O\n0.661841 0.323316 0.471885 O\n0.806791 0.326969 0.829799 O\n0.617342 0.515117 0.171155 O\n0.671238 0.491016 0.831465 O\n0.915553 0.252634 0.663744 O\n0.984031 0.200154 0.260485 O\n0.006342 0.250505 0.434617 O\n0.006320 0.204000 0.084191 O\n0.898422 0.369588 0.166643 O\n0.816993 0.483781 0.332010 O\n0.092953 0.350022 0.830409 O\n0.902410 0.519909 0.677797 O\n0.742414 0.654932 0.666242 O\n0.216419 0.201001 0.760726 O\n0.221971 0.227604 0.582092 O\n0.780972 0.773186 0.417155 O\n0.253635 0.340833 0.334989 O\n0.095080 0.478493 0.321872 O\n0.909863 0.649849 0.166882 O\n0.181325 0.517679 0.668031 O\n0.078774 0.623279 0.835043 O\n0.996773 0.808431 0.916555 O\n0.991495 0.749124 0.566863 O\n0.011565 0.801027 0.740084 O\n0.083690 0.750624 0.335492 O\n0.332582 0.511917 0.175082 O\n0.387960 0.474610 0.826196 O\n0.192254 0.669598 0.172309 O\n0.341517 0.651887 0.026643 O\n0.338065 0.677593 0.528669 O\n0.336944 0.818243 0.680262 O\n0.527665 0.621116 0.320526 O\n0.476809 0.660086 0.677467 O\n0.259946 0.918039 0.834885 O\n0.216461 0.017257 0.260701 O\n0.199015 0.000442 0.080240 O\n0.382534 0.905577 0.315358 O\n0.485038 0.811459 0.174036 O\n0.543280 0.924543 0.832476 O\n0.658258 0.742034 0.833555 O\n0.772153 0.750959 0.062035 O\n0.782723 0.794857 0.237720 O\n0.663075 0.919747 0.335267 O\n0.751941 0.009020 0.564687 O\n0.788152 0.987846 0.740259 O\n","nsites":88,"nelements":4,"elements":["Li","V","P","O"],"chemical_system":"Li-O-P-V","density":2.5126099658500607,"density_atomic":0.07460844357025403,"volume":1179.4911646580053,"volume_molar":8.07166115766687,"formula_full":"Li8 V6 P16 O58","formula_reduced":"Li4V3P8O29","formula_anonymous":"A3B4C8D29","energy":-669.7296432500001,"energy_per_atom":-7.61056412784091,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-619.68364325,"band_gap":0.8543999999999999,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.9982546,"is_theoretical":true,"updated_at":"2021-11-28T01:37:50.995000Z","spacegroup":1},{"id":"mp-1208579","created_at":"2022-09-04T14:46:57.486495Z","structure_string":"Ta2 N2 Cl12\n1.0\n3.230659 6.179467 0.000000\n-3.230659 6.179467 0.000000\n0.000000 2.624645 12.195075\nTa N Cl\n2 2 12\ndirect\n0.500000 0.000000 0.500000 Ta\n0.000000 0.500000 0.000000 Ta\n0.880790 0.119210 0.750000 N\n0.119210 0.880790 0.250000 N\n0.464151 0.700230 0.602810 Cl\n0.535849 0.299770 0.397190 Cl\n0.299770 0.535849 0.897190 Cl\n0.700230 0.464151 0.102810 Cl\n0.370743 0.200123 0.658130 Cl\n0.629257 0.799877 0.341870 Cl\n0.799877 0.629257 0.841870 Cl\n0.200123 0.370743 0.158130 Cl\n0.795540 0.892231 0.040473 Cl\n0.204460 0.107769 0.959527 Cl\n0.107769 0.204460 0.459527 Cl\n0.892231 0.795540 0.540473 Cl\n","nsites":16,"nelements":3,"elements":["Ta","N","Cl"],"chemical_system":"Cl-N-Ta","density":2.7805709827693166,"density_atomic":0.03285968334136197,"volume":486.9188736173875,"volume_molar":18.326837472653487,"formula_full":"Ta2 N2 Cl12","formula_reduced":"TaNCl6","formula_anonymous":"ABC6","energy":-73.81445928,"energy_per_atom":-4.613403705,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-66.44645928,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.998567,"is_theoretical":true,"updated_at":"2021-11-28T01:37:50.996000Z","spacegroup":15},{"id":"mp-1183082","created_at":"2022-09-04T14:47:02.420283Z","structure_string":"Ac3 Zr1\n1.0\n-2.664130 2.664130 5.347979\n2.664130 -2.664130 5.347979\n2.664130 2.664130 -5.347979\nAc Zr\n3 1\ndirect\n0.750000 0.250000 0.500000 Ac\n0.250000 0.750000 0.500000 Ac\n0.500000 0.500000 0.000000 Ac\n0.000000 0.000000 0.000000 Zr\n","nsites":4,"nelements":2,"elements":["Ac","Zr"],"chemical_system":"Ac-Zr","density":8.44562670528105,"density_atomic":0.026345077512842856,"volume":151.83102035095763,"volume_molar":22.858694407197287,"formula_full":"Ac3 Zr1","formula_reduced":"Ac3Zr","formula_anonymous":"AB3","energy":-19.81369243,"energy_per_atom":-4.9534231075,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-19.81369243,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0163806,"is_theoretical":true,"updated_at":"2021-11-28T01:37:50.997000Z","spacegroup":139},{"id":"mp-1111865","created_at":"2022-09-04T14:46:55.980301Z","structure_string":"Cs2 Li1 Bi1 Br6\n1.0\n0.000000 5.672836 5.672836\n5.672836 0.000000 5.672836\n5.672836 5.672836 0.000000\nCs Li Bi Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Bi\n0.746353 0.253647 0.253647 Br\n0.253647 0.253647 0.746353 Br\n0.253647 0.746353 0.746353 Br\n0.253647 0.746353 0.253647 Br\n0.746353 0.253647 0.746353 Br\n0.746353 0.746353 0.253647 Br\n","nsites":10,"nelements":4,"elements":["Cs","Li","Bi","Br"],"chemical_system":"Bi-Br-Cs-Li","density":4.3713183415812,"density_atomic":0.02738856756678643,"volume":365.11584534734124,"volume_molar":21.987790143880805,"formula_full":"Cs2 Li1 Bi1 Br6","formula_reduced":"Cs2LiBiBr6","formula_anonymous":"ABC2D6","energy":-34.27610573,"energy_per_atom":-3.427610573,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.07210573,"band_gap":2.9154,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.1e-06,"is_theoretical":true,"updated_at":"2021-11-28T01:37:50.999000Z","spacegroup":225},{"id":"mp-540395","created_at":"2022-09-04T14:47:08.031682Z","structure_string":"Sn8 P6 O24\n1.0\n4.856117 -8.411042 0.000000\n4.856117 8.411042 0.000000\n0.000000 0.000000 6.956968\nSn P O\n8 6 24\ndirect\n0.761930 0.020138 0.744981 Sn\n0.666667 0.333333 0.436629 Sn\n0.741792 0.761930 0.244981 Sn\n0.238070 0.979862 0.244981 Sn\n0.333333 0.666667 0.936629 Sn\n0.979862 0.741792 0.744981 Sn\n0.020138 0.258208 0.244981 Sn\n0.258208 0.238070 0.744981 Sn\n0.386145 0.408225 0.256112 P\n0.408225 0.022080 0.756112 P\n0.022080 0.613855 0.256112 P\n0.613855 0.591775 0.756112 P\n0.977920 0.386145 0.756112 P\n0.591775 0.977920 0.256112 P\n0.639606 0.915908 0.073923 O\n0.099216 0.507338 0.252379 O\n0.163010 0.489603 0.753084 O\n0.276302 0.360394 0.073923 O\n0.915908 0.276302 0.573923 O\n0.673407 0.163010 0.253084 O\n0.507338 0.408122 0.752379 O\n0.489603 0.326593 0.253084 O\n0.510397 0.673407 0.753084 O\n0.269120 0.345847 0.428522 O\n0.591878 0.099216 0.752379 O\n0.408122 0.900784 0.252379 O\n0.084092 0.723698 0.073923 O\n0.723698 0.639606 0.573923 O\n0.654153 0.923273 0.428522 O\n0.836990 0.510397 0.253084 O\n0.492662 0.591878 0.252379 O\n0.923273 0.269120 0.928522 O\n0.900784 0.492662 0.752379 O\n0.326593 0.836990 0.753084 O\n0.360394 0.084092 0.573923 O\n0.345847 0.076727 0.928522 O\n0.730880 0.654153 0.928522 O\n0.076727 0.730880 0.428522 O\n","nsites":38,"nelements":3,"elements":["Sn","P","O"],"chemical_system":"O-P-Sn","density":4.439797811193921,"density_atomic":0.06686435380481782,"volume":568.3147721867606,"volume_molar":9.006504089726329,"formula_full":"Sn8 P6 O24","formula_reduced":"Sn4(PO4)3","formula_anonymous":"A3B4C12","energy":-268.45794961,"energy_per_atom":-7.064682884473685,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-251.96994961,"band_gap":0.1243000000000003,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.9991924,"is_theoretical":true,"updated_at":"2021-11-28T01:37:51.005000Z","spacegroup":173},{"id":"mp-1044743","created_at":"2022-09-04T14:47:02.998050Z","structure_string":"Pr2 Mg2 W4 O12\n1.0\n5.719666 0.000000 0.000000\n0.000000 5.503929 0.000000\n0.000000 5.472501 8.110641\nPr Mg W O\n2 2 4 12\ndirect\n0.303043 0.758282 0.249325 Pr\n0.696957 0.758282 0.749325 Pr\n0.798367 0.235390 0.249016 Mg\n0.201633 0.235390 0.749016 Mg\n0.755482 0.999061 0.999812 W\n0.752156 0.499670 0.499412 W\n0.244518 0.999061 0.499812 W\n0.247844 0.499670 0.999412 W\n0.835027 0.357753 0.752010 O\n0.039179 0.125533 0.069584 O\n0.046751 0.780528 0.431316 O\n0.557438 0.897349 0.432442 O\n0.569779 0.239729 0.070864 O\n0.301178 0.606703 0.746266 O\n0.164973 0.357753 0.252010 O\n0.953249 0.780528 0.931316 O\n0.960821 0.125533 0.569584 O\n0.442562 0.897349 0.932442 O\n0.430221 0.239729 0.570864 O\n0.698822 0.606703 0.246266 O\n","nsites":20,"nelements":4,"elements":["Pr","Mg","W","O"],"chemical_system":"Mg-O-Pr-W","density":8.18002169676286,"density_atomic":0.0783305769034834,"volume":255.32813354155945,"volume_molar":7.688109800876742,"formula_full":"Pr2 Mg2 W4 O12","formula_reduced":"PrMg(WO3)2","formula_anonymous":"ABC2D6","energy":-173.75522867,"energy_per_atom":-8.6877614335,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-147.75922867,"band_gap":1.9081,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":9.9999993,"is_theoretical":true,"updated_at":"2021-11-28T01:37:51.006000Z","spacegroup":7},{"id":"mp-989557","created_at":"2022-09-04T14:46:59.493269Z","structure_string":"Y1 Tc1 N3\n1.0\n1.997824 -3.692249 0.000000\n1.997824 3.692249 0.000000\n0.000000 0.000000 4.066441\nY Tc N\n1 1 3\ndirect\n0.169183 0.830817 0.500000 Y\n0.474687 0.525313 0.000000 Tc\n0.922862 0.411149 0.000000 N\n0.588851 0.077138 0.000000 N\n0.489838 0.510162 0.500000 N\n","nsites":5,"nelements":3,"elements":["Y","Tc","N"],"chemical_system":"N-Tc-Y","density":6.33652924815243,"density_atomic":0.08334457294032853,"volume":59.9919085742968,"volume_molar":7.2255943579093245,"formula_full":"Y1 Tc1 N3","formula_reduced":"YTcN3","formula_anonymous":"ABC3","energy":-45.60430755,"energy_per_atom":-9.120861510000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-44.52130755,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":8.24e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:37:51.009000Z","spacegroup":38}]}