{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=nelements&page=10137","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=nelements&page=10135","results":[{"id":"mp-1221306","created_at":"2022-09-04T14:48:10.736457Z","structure_string":"Nd2 Te1 Mo6 O46\n1.0\n9.034614 0.000000 0.000000\n3.343850 9.294361 0.000000\n1.515470 3.121514 11.574827\nNd Te Mo O\n2 1 6 46\ndirect\n0.740254 0.278154 0.671670 Nd\n0.259746 0.721846 0.328330 Nd\n0.500000 0.000000 0.500000 Te\n0.586406 0.100938 0.208662 Mo\n0.413594 0.899062 0.791338 Mo\n0.262223 0.314113 0.326667 Mo\n0.737777 0.685887 0.673333 Mo\n0.806761 0.772658 0.377621 Mo\n0.193239 0.227342 0.622379 Mo\n0.838744 0.141493 0.464634 O\n0.161256 0.858507 0.535366 O\n0.141193 0.335879 0.220364 O\n0.858807 0.664121 0.779636 O\n0.465059 0.287347 0.247616 O\n0.534941 0.712653 0.752384 O\n0.245579 0.503115 0.331237 O\n0.754421 0.496885 0.668763 O\n0.863255 0.736168 0.538299 O\n0.136745 0.263832 0.461701 O\n0.518507 0.347501 0.555140 O\n0.481493 0.652499 0.444860 O\n0.502371 0.296400 0.810364 O\n0.497629 0.703600 0.189636 O\n0.791564 0.230626 0.930019 O\n0.208436 0.769374 0.069981 O\n0.669839 0.877940 0.252845 O\n0.330161 0.122060 0.747155 O\n0.418725 0.211388 0.507034 O\n0.581275 0.788612 0.492966 O\n0.816266 0.116213 0.897673 O\n0.183734 0.883787 0.102327 O\n0.834132 0.593740 0.372221 O\n0.165868 0.406260 0.627779 O\n0.480553 0.110929 0.095235 O\n0.519447 0.889071 0.904765 O\n0.848971 0.060159 0.571537 O\n0.151029 0.939841 0.428463 O\n0.355664 0.434571 0.923833 O\n0.644336 0.565429 0.076167 O\n0.624106 0.930725 0.639672 O\n0.375894 0.069275 0.360328 O\n0.778635 0.286102 0.453472 O\n0.221365 0.713898 0.546528 O\n0.988086 0.809725 0.318761 O\n0.011914 0.190275 0.681239 O\n0.323769 0.978972 0.604452 O\n0.676231 0.021028 0.395548 O\n0.429490 0.432968 0.828128 O\n0.570510 0.567032 0.171872 O\n0.753516 0.145242 0.148298 O\n0.246484 0.854758 0.851702 O\n0.867363 0.643314 0.070132 O\n0.132637 0.356686 0.929868 O\n0.842496 0.771221 0.012749 O\n0.157504 0.228779 0.987251 O\n","nsites":55,"nelements":4,"elements":["Nd","Te","Mo","O"],"chemical_system":"Mo-Nd-O-Te","density":2.95170450452907,"density_atomic":0.05658730901962081,"volume":971.9493814581211,"volume_molar":10.642210884974073,"formula_full":"Nd2 Te1 Mo6 O46","formula_reduced":"Nd2Te(Mo3O23)2","formula_anonymous":"AB2C6D46","energy":-347.07966671,"energy_per_atom":-6.310539394727273,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-327.86766671,"band_gap":0.2752999999999999,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":12.0003952,"is_theoretical":true,"updated_at":"2021-11-28T01:38:28.738000Z","spacegroup":2},{"id":"mp-1203678","created_at":"2022-09-04T14:48:03.233888Z","structure_string":"La12 As8 Br4 O28\n1.0\n13.173897 0.000000 0.000000\n0.000000 13.173897 0.000000\n0.000000 0.000000 5.672515\nLa As Br O\n12 8 4 28\ndirect\n0.762495 0.237505 0.500000 La\n0.237505 0.762495 0.500000 La\n0.262495 0.262495 0.000000 La\n0.737505 0.737505 0.000000 La\n0.637065 0.953265 0.500000 La\n0.362935 0.046735 0.500000 La\n0.137065 0.546735 0.000000 La\n0.862935 0.453265 0.000000 La\n0.953265 0.637065 0.500000 La\n0.046735 0.362935 0.500000 La\n0.546735 0.137065 0.000000 La\n0.453265 0.862935 0.000000 La\n0.472720 0.288850 0.500000 As\n0.527280 0.711150 0.500000 As\n0.972720 0.211150 0.000000 As\n0.027280 0.788850 0.000000 As\n0.288850 0.472720 0.500000 As\n0.711150 0.527280 0.500000 As\n0.211150 0.972720 0.000000 As\n0.788850 0.027280 0.000000 As\n0.852804 0.852804 0.500000 Br\n0.147196 0.147196 0.500000 Br\n0.352804 0.647196 0.000000 Br\n0.647196 0.352804 0.000000 Br\n0.500000 0.000000 0.250000 O\n0.000000 0.500000 0.750000 O\n0.500000 0.000000 0.750000 O\n0.000000 0.500000 0.250000 O\n0.581752 0.207769 0.500000 O\n0.418248 0.792231 0.500000 O\n0.081752 0.292231 0.000000 O\n0.918248 0.707769 0.000000 O\n0.207769 0.581752 0.500000 O\n0.792231 0.418248 0.500000 O\n0.292231 0.081752 0.000000 O\n0.707769 0.918248 0.000000 O\n0.407588 0.220185 0.263375 O\n0.592412 0.779815 0.263375 O\n0.907588 0.279815 0.763375 O\n0.092412 0.720185 0.763375 O\n0.592412 0.779815 0.736625 O\n0.407588 0.220185 0.736625 O\n0.092412 0.720185 0.236625 O\n0.907588 0.279815 0.236625 O\n0.220185 0.407588 0.263375 O\n0.779815 0.592412 0.263375 O\n0.279815 0.907588 0.763375 O\n0.720185 0.092412 0.763375 O\n0.779815 0.592412 0.736625 O\n0.220185 0.407588 0.736625 O\n0.720185 0.092412 0.236625 O\n0.279815 0.907588 0.236625 O\n","nsites":52,"nelements":4,"elements":["La","As","Br","O"],"chemical_system":"As-Br-La-O","density":5.117257279953107,"density_atomic":0.05282009323657884,"volume":984.4738396635221,"volume_molar":11.401230840368079,"formula_full":"La12 As8 Br4 O28","formula_reduced":"La3As2BrO7","formula_anonymous":"AB2C3D7","energy":-399.26602406,"energy_per_atom":-7.678192770384616,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-377.89402406,"band_gap":3.1086,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0030578,"is_theoretical":false,"updated_at":"2021-11-28T01:38:21.801000Z","spacegroup":136},{"id":"mp-758745","created_at":"2022-09-04T14:48:16.069745Z","structure_string":"Li8 Cr8 Si8 O32\n1.0\n10.783644 0.000000 0.000000\n0.000000 5.565738 0.000000\n0.000000 0.212425 10.109859\nLi Cr Si O\n8 8 8 32\ndirect\n0.158809 0.905376 0.829183 Li\n0.341191 0.905376 0.329183 Li\n0.617221 0.634815 0.593510 Li\n0.882779 0.634815 0.093510 Li\n0.117221 0.365185 0.906490 Li\n0.382779 0.365185 0.406490 Li\n0.658809 0.094624 0.670817 Li\n0.841191 0.094624 0.170817 Li\n0.877354 0.849229 0.515829 Cr\n0.622646 0.849229 0.015829 Cr\n0.408743 0.660124 0.767916 Cr\n0.091257 0.660124 0.267916 Cr\n0.908743 0.339876 0.732084 Cr\n0.591257 0.339876 0.232084 Cr\n0.377354 0.150771 0.984171 Cr\n0.122646 0.150771 0.484171 Cr\n0.897323 0.888401 0.840559 Si\n0.602677 0.888401 0.340559 Si\n0.143259 0.596004 0.582578 Si\n0.356741 0.596004 0.082578 Si\n0.643259 0.403996 0.917422 Si\n0.856741 0.403996 0.417422 Si\n0.397323 0.111599 0.659441 Si\n0.102677 0.111599 0.159441 Si\n0.798978 0.883737 0.963231 O\n0.497193 0.888904 0.642245 O\n0.701022 0.883737 0.463231 O\n0.002807 0.888904 0.142245 O\n0.835603 0.981440 0.693392 O\n0.058606 0.839824 0.566633 O\n0.664397 0.981440 0.193392 O\n0.441394 0.839824 0.066633 O\n0.248317 0.653237 0.686402 O\n0.972063 0.631315 0.830246 O\n0.251683 0.653237 0.186402 O\n0.527937 0.631315 0.330246 O\n0.570799 0.648815 0.863076 O\n0.320169 0.499493 0.931127 O\n0.929201 0.648815 0.363076 O\n0.179831 0.499493 0.431127 O\n0.820169 0.500507 0.568873 O\n0.070799 0.351185 0.636924 O\n0.679831 0.500507 0.068873 O\n0.429201 0.351185 0.136924 O\n0.472063 0.368685 0.669754 O\n0.748317 0.346763 0.813598 O\n0.027937 0.368685 0.169754 O\n0.751683 0.346763 0.313598 O\n0.558606 0.160176 0.933367 O\n0.335603 0.018560 0.806608 O\n0.941394 0.160176 0.433367 O\n0.164397 0.018560 0.306608 O\n0.997193 0.111096 0.857755 O\n0.298978 0.116263 0.536769 O\n0.502807 0.111096 0.357755 O\n0.201022 0.116263 0.036769 O\n","nsites":56,"nelements":4,"elements":["Li","Cr","Si","O"],"chemical_system":"Cr-Li-O-Si","density":3.3062883452240603,"density_atomic":0.09228999610964156,"volume":606.7829923133962,"volume_molar":6.525236768723697,"formula_full":"Li8 Cr8 Si8 O32","formula_reduced":"LiCrSiO4","formula_anonymous":"ABCD4","energy":-445.18832954,"energy_per_atom":-7.949791598928571,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-407.21232954,"band_gap":2.2333,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":24.0000001,"is_theoretical":true,"updated_at":"2021-11-28T01:40:07.697000Z","spacegroup":14},{"id":"mp-1222743","created_at":"2022-09-04T14:48:10.692437Z","structure_string":"Li2 Lu1 U1 S4\n1.0\n-2.695792 2.695792 5.491267\n2.695792 -2.695792 5.491267\n2.695792 2.695792 -5.491267\nLi Lu U S\n2 1 1 4\ndirect\n0.500000 0.500000 0.000000 Li\n0.250000 0.750000 0.500000 Li\n0.000000 0.000000 0.000000 Lu\n0.750000 0.250000 0.500000 U\n0.000751 0.500751 0.500000 S\n0.756014 0.756014 0.000000 S\n0.499249 0.999249 0.500000 S\n0.243986 0.243986 0.000000 S\n","nsites":8,"nelements":4,"elements":["Li","Lu","U","S"],"chemical_system":"Li-Lu-S-U","density":5.774902696638691,"density_atomic":0.05011695479630286,"volume":159.62661802808023,"volume_molar":12.016174535098159,"formula_full":"Li2 Lu1 U1 S4","formula_reduced":"Li2LuUS4","formula_anonymous":"ABC2D4","energy":-50.76007833,"energy_per_atom":-6.34500979125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-48.74807833,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.0064515,"is_theoretical":true,"updated_at":"2021-11-28T01:38:29.683000Z","spacegroup":119},{"id":"mp-1205451","created_at":"2022-09-04T14:48:02.915856Z","structure_string":"K4 Os2 N2 Cl10\n1.0\n0.000000 0.000000 -10.240748\n-4.019724 -7.298338 0.000000\n-4.019724 7.298338 0.000000\nK Os N Cl\n4 2 2 10\ndirect\n0.385522 0.717097 0.282903 K\n0.885522 0.282903 0.717097 K\n0.888748 0.591099 0.408901 K\n0.388748 0.408901 0.591099 K\n0.528569 0.152263 0.847737 Os\n0.028569 0.847737 0.152263 Os\n0.182730 0.883840 0.116160 N\n0.682730 0.116160 0.883840 N\n0.448556 0.838847 0.734095 Cl\n0.448556 0.265905 0.161153 Cl\n0.948556 0.161153 0.265905 Cl\n0.948556 0.734095 0.838847 Cl\n0.067437 0.931777 0.470454 Cl\n0.067437 0.529546 0.068223 Cl\n0.567437 0.068223 0.529546 Cl\n0.567437 0.470454 0.931777 Cl\n0.296445 0.214755 0.785245 Cl\n0.796445 0.785245 0.214755 Cl\n","nsites":18,"nelements":4,"elements":["K","Os","N","Cl"],"chemical_system":"Cl-K-N-Os","density":2.5407978221847434,"density_atomic":0.02995646910129343,"volume":600.8718831026322,"volume_molar":20.10297254872398,"formula_full":"K4 Os2 N2 Cl10","formula_reduced":"K2OsNCl5","formula_anonymous":"ABC2D5","energy":-85.0947728,"energy_per_atom":-4.727487377777778,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-78.2327728,"band_gap":1.8403,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":9.93e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:38:22.616000Z","spacegroup":36},{"id":"mp-1228645","created_at":"2022-09-04T14:48:12.015759Z","structure_string":"Ba4 Si4 H8 O16\n1.0\n-7.191431 0.649984 0.102297\n-0.938655 7.553608 -0.110803\n0.278444 0.087129 -7.680453\nBa Si H O\n4 4 8 16\ndirect\n0.084989 0.789132 0.195650 Ba\n0.915011 0.210868 0.804350 Ba\n0.409779 0.700575 0.695818 Ba\n0.590221 0.299425 0.304182 Ba\n0.582992 0.761273 0.218049 Si\n0.417008 0.238727 0.781951 Si\n0.106696 0.254148 0.272653 Si\n0.893304 0.745852 0.727347 Si\n0.763981 0.591391 0.009638 H\n0.236019 0.408609 0.990362 H\n0.289391 0.089010 0.500704 H\n0.710609 0.910990 0.499296 H\n0.053279 0.391727 0.524143 H\n0.946721 0.608273 0.475857 H\n0.390569 0.950983 0.991358 H\n0.609431 0.049017 0.008642 H\n0.695855 0.915273 0.274715 O\n0.304145 0.084727 0.725285 O\n0.972403 0.163917 0.146502 O\n0.027597 0.836083 0.853498 O\n0.737134 0.587607 0.139322 O\n0.262866 0.412393 0.860678 O\n0.426729 0.828613 0.041748 O\n0.573271 0.171387 0.958252 O\n0.974688 0.333882 0.446449 O\n0.025312 0.666118 0.553551 O\n0.205318 0.408105 0.193071 O\n0.794682 0.591895 0.806929 O\n0.466115 0.674448 0.357461 O\n0.533885 0.325552 0.642539 O\n0.276039 0.089817 0.369482 O\n0.723961 0.910183 0.630518 O\n","nsites":32,"nelements":4,"elements":["Ba","Si","H","O"],"chemical_system":"Ba-H-O-Si","density":3.7290623090273707,"density_atomic":0.07762979121197744,"volume":412.2128824566869,"volume_molar":7.757512503873447,"formula_full":"Ba4 Si4 H8 O16","formula_reduced":"BaSi(HO2)2","formula_anonymous":"ABC2D4","energy":-217.43257242,"energy_per_atom":-6.794767888125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-206.44057242,"band_gap":4.3516,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0009791,"is_theoretical":true,"updated_at":"2021-11-28T01:38:36.594000Z","spacegroup":2},{"id":"mp-1518218","created_at":"2022-09-04T14:48:10.723330Z","structure_string":"Ca2 Zr1 V1 O6\n1.0\n-0.000000 -3.997191 -3.997191\n3.997191 -0.000000 -3.997191\n3.997191 -3.997191 0.000000\nCa Zr V O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ca\n0.750000 0.750000 0.750000 Ca\n-0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.500000 V\n0.740407 0.259593 0.259593 O\n0.259593 0.740407 0.740407 O\n0.740407 0.259593 0.740407 O\n0.259593 0.740407 0.259593 O\n0.740407 0.740407 0.259593 O\n0.259593 0.259593 0.740407 O\n","nsites":10,"nelements":4,"elements":["Ca","Zr","V","O"],"chemical_system":"Ca-O-V-Zr","density":4.138237959907998,"density_atomic":0.07828982128103189,"volume":127.73052532721526,"volume_molar":7.692112028692353,"formula_full":"Ca2 Zr1 V1 O6","formula_reduced":"Ca2ZrVO6","formula_anonymous":"ABC2D6","energy":-82.69045842,"energy_per_atom":-8.269045842,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-76.86845842,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.0,"is_theoretical":true,"updated_at":"2021-11-28T01:38:29.430000Z","spacegroup":225},{"id":"mp-1048332","created_at":"2022-09-04T14:48:10.725979Z","structure_string":"Zn4 Cr4 P8 O28\n1.0\n8.453161 0.000000 0.000000\n0.000000 7.105954 0.000000\n0.000000 3.195041 8.783914\nZn Cr P O\n4 4 8 28\ndirect\n0.937934 0.308050 0.813516 Zn\n0.437934 0.691950 0.686484 Zn\n0.562066 0.308050 0.313516 Zn\n0.062066 0.691950 0.186484 Zn\n0.066486 0.760166 0.612161 Cr\n0.933514 0.239834 0.387839 Cr\n0.566486 0.239834 0.887839 Cr\n0.433514 0.760166 0.112161 Cr\n0.738278 0.930786 0.248708 P\n0.228431 0.461517 0.972524 P\n0.761722 0.930786 0.748708 P\n0.271569 0.461517 0.472524 P\n0.238278 0.069214 0.251292 P\n0.728431 0.538483 0.527476 P\n0.771569 0.538483 0.027476 P\n0.261722 0.069214 0.751292 P\n0.189243 0.249040 0.096374 O\n0.603992 0.883392 0.692973 O\n0.896008 0.883392 0.192973 O\n0.389778 0.452854 0.895661 O\n0.810757 0.750960 0.903626 O\n0.102255 0.047956 0.363425 O\n0.610222 0.547146 0.104339 O\n0.090842 0.502609 0.860876 O\n0.260841 0.617400 0.554292 O\n0.897745 0.952044 0.636575 O\n0.397745 0.047956 0.863425 O\n0.755084 0.116336 0.799872 O\n0.255084 0.883664 0.700128 O\n0.310757 0.249040 0.596374 O\n0.602255 0.952044 0.136575 O\n0.103992 0.116608 0.807027 O\n0.244916 0.883664 0.200128 O\n0.909158 0.497391 0.139124 O\n0.239159 0.617400 0.054292 O\n0.760841 0.382600 0.945708 O\n0.889778 0.547146 0.604339 O\n0.409158 0.502609 0.360876 O\n0.590842 0.497391 0.639124 O\n0.396008 0.116608 0.307027 O\n0.744916 0.116336 0.299872 O\n0.110222 0.452854 0.395661 O\n0.739159 0.382600 0.445708 O\n0.689243 0.750960 0.403626 O\n","nsites":44,"nelements":4,"elements":["Zn","Cr","P","O"],"chemical_system":"Cr-O-P-Zn","density":3.6676860581010016,"density_atomic":0.08339174638647555,"volume":527.6301541412006,"volume_molar":7.221506948770016,"formula_full":"Zn4 Cr4 P8 O28","formula_reduced":"ZnCrP2O7","formula_anonymous":"ABC2D7","energy":-333.76238089000003,"energy_per_atom":-7.58550865659091,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-306.53038089,"band_gap":2.5553000000000003,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":15.9987326,"is_theoretical":true,"updated_at":"2021-11-28T01:38:24.149000Z","spacegroup":14},{"id":"mp-19362","created_at":"2022-09-04T14:48:10.734410Z","structure_string":"K2 Fe2 Mo4 O16\n1.0\n5.776932 -0.000493 -0.001021\n2.886725 5.000836 7.372267\n-2.889353 -5.002039 7.374097\nK Fe Mo O\n2 2 4 16\ndirect\n0.000042 0.000077 0.999945 K\n0.999948 0.499887 0.500008 K\n0.000208 0.750026 0.750095 Fe\n0.999976 0.250033 0.249921 Fe\n0.666731 0.202301 0.535613 Mo\n0.333242 0.297697 0.964366 Mo\n0.666757 0.702376 0.035625 Mo\n0.333286 0.797621 0.464373 Mo\n0.666697 0.821026 0.154184 O\n0.666682 0.320979 0.654288 O\n0.333209 0.179001 0.845708 O\n0.333269 0.678991 0.345786 O\n0.839213 0.751180 0.912228 O\n0.839193 0.251178 0.412177 O\n0.322040 0.751211 0.912267 O\n0.321949 0.251167 0.412207 O\n0.160925 0.507331 0.829235 O\n0.160881 0.007360 0.329185 O\n0.160771 0.248802 0.087776 O\n0.160820 0.748820 0.587792 O\n0.839099 0.492646 0.170775 O\n0.839066 0.992694 0.670843 O\n0.678026 0.248811 0.087767 O\n0.677968 0.748784 0.587838 O\n","nsites":24,"nelements":4,"elements":["K","Fe","Mo","O"],"chemical_system":"Fe-K-Mo-O","density":3.2332461873466083,"density_atomic":0.056326505183341785,"volume":426.0871488809828,"volume_molar":10.691486610784814,"formula_full":"K2 Fe2 Mo4 O16","formula_reduced":"KFe(MoO4)2","formula_anonymous":"ABC2D8","energy":-189.94882277,"energy_per_atom":-7.914534282083333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-161.63682277,"band_gap":2.4118,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":9e-06,"is_theoretical":false,"updated_at":"2021-11-28T01:38:32.248000Z","spacegroup":164},{"id":"mp-558105","created_at":"2022-09-04T14:48:16.040282Z","structure_string":"Li4 B24 O36 F4\n1.0\n7.882700 0.000000 0.000000\n0.000000 8.651370 0.000000\n0.000000 0.000000 10.958028\nLi B O F\n4 24 36 4\ndirect\n0.237544 0.300768 0.226466 Li\n0.762456 0.699232 0.726466 Li\n0.737544 0.199232 0.226466 Li\n0.262456 0.800768 0.726466 Li\n0.871643 0.397412 0.654131 B\n0.058140 0.348449 0.486953 B\n0.594356 0.912920 0.602993 B\n0.128357 0.602588 0.154131 B\n0.363026 0.606488 0.313087 B\n0.941860 0.651551 0.986953 B\n0.046655 0.841868 0.483136 B\n0.546655 0.658132 0.483136 B\n0.636974 0.393512 0.813087 B\n0.538591 0.404051 0.394386 B\n0.905644 0.412920 0.102993 B\n0.558140 0.151551 0.486953 B\n0.371643 0.102588 0.654131 B\n0.441860 0.848449 0.986953 B\n0.953345 0.158132 0.983136 B\n0.094356 0.587080 0.602993 B\n0.136974 0.106488 0.813087 B\n0.453345 0.341868 0.983136 B\n0.628357 0.897412 0.154131 B\n0.405644 0.087080 0.102993 B\n0.038591 0.095949 0.394386 B\n0.863026 0.893512 0.313087 B\n0.961409 0.904051 0.894386 B\n0.461409 0.595949 0.894386 B\n0.749802 0.338317 0.730676 O\n0.932399 0.791486 0.395579 O\n0.632717 0.011404 0.498261 O\n0.395096 0.494498 0.977520 O\n0.935458 0.296202 0.568009 O\n0.068320 0.454452 0.163016 O\n0.931680 0.545548 0.663016 O\n0.567601 0.291486 0.895579 O\n0.432399 0.708514 0.395579 O\n0.104904 0.994498 0.477520 O\n0.897878 0.247502 0.075542 O\n0.564542 0.796202 0.068009 O\n0.895096 0.005502 0.977520 O\n0.604904 0.505502 0.477520 O\n0.750198 0.838317 0.230676 O\n0.095244 0.248217 0.390532 O\n0.404756 0.748217 0.890532 O\n0.867283 0.511404 0.998261 O\n0.435458 0.203798 0.568009 O\n0.067601 0.208514 0.895579 O\n0.064542 0.703798 0.068009 O\n0.595244 0.251783 0.390532 O\n0.914939 0.048983 0.311569 O\n0.085061 0.951017 0.811569 O\n0.414939 0.451017 0.311569 O\n0.249802 0.161683 0.730676 O\n0.585061 0.548983 0.811569 O\n0.568320 0.045548 0.163016 O\n0.102122 0.752498 0.575542 O\n0.397878 0.252498 0.075542 O\n0.602122 0.747502 0.575542 O\n0.904756 0.751783 0.890532 O\n0.132717 0.488596 0.498261 O\n0.431680 0.954452 0.663016 O\n0.250198 0.661683 0.230676 O\n0.367283 0.988596 0.998261 O\n0.728435 0.928146 0.694843 F\n0.771565 0.428146 0.194843 F\n0.228435 0.571854 0.694843 F\n0.271565 0.071854 0.194843 F\n","nsites":68,"nelements":4,"elements":["Li","B","O","F"],"chemical_system":"B-F-Li-O","density":2.086963707739641,"density_atomic":0.0909948099298699,"volume":747.2953683007624,"volume_molar":6.618114554710638,"formula_full":"Li4 B24 O36 F4","formula_reduced":"LiB6O9F","formula_anonymous":"ABC6D9","energy":-548.6488183900001,"energy_per_atom":-8.068364976323531,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-522.06881839,"band_gap":6.351800000000001,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":6.8e-06,"is_theoretical":false,"updated_at":"2021-11-28T01:40:05.242000Z","spacegroup":33},{"id":"mp-768700","created_at":"2022-09-04T14:48:09.545432Z","structure_string":"Li8 Cr6 Ni2 O16\n1.0\n5.118088 0.000000 0.000000\n2.520873 7.366744 0.000000\n0.844342 0.862539 7.701304\nLi Cr Ni O\n8 6 2 16\ndirect\n0.996864 0.564479 0.815002 Li\n0.000821 0.310843 0.564252 Li\n0.003136 0.435521 0.184998 Li\n0.000251 0.937081 0.690645 Li\n0.999749 0.062919 0.309355 Li\n0.005121 0.184598 0.940460 Li\n0.999179 0.689157 0.435748 Li\n0.994879 0.815402 0.059540 Li\n0.498081 0.246699 0.754115 Cr\n0.499962 0.374219 0.374254 Cr\n0.500000 0.500000 0.000000 Cr\n0.500000 0.000000 0.500000 Cr\n0.500038 0.625781 0.625746 Cr\n0.501919 0.753301 0.245885 Cr\n0.500391 0.125242 0.125433 Ni\n0.499609 0.874758 0.874567 Ni\n0.722616 0.411846 0.782222 O\n0.280480 0.461539 0.593125 O\n0.719520 0.538461 0.406875 O\n0.267380 0.096568 0.711552 O\n0.723112 0.161855 0.532994 O\n0.726392 0.290550 0.156119 O\n0.273262 0.212340 0.347884 O\n0.726738 0.787660 0.652116 O\n0.732620 0.903432 0.288448 O\n0.268452 0.345758 0.960876 O\n0.276888 0.838145 0.467006 O\n0.726375 0.040210 0.902609 O\n0.273625 0.959790 0.097391 O\n0.731548 0.654242 0.039124 O\n0.277384 0.588154 0.217778 O\n0.273608 0.709450 0.843881 O\n","nsites":32,"nelements":4,"elements":["Li","Cr","Ni","O"],"chemical_system":"Cr-Li-Ni-O","density":4.236921619659595,"density_atomic":0.11020527546065167,"volume":290.3672248559958,"volume_molar":5.4644759380418035,"formula_full":"Li8 Cr6 Ni2 O16","formula_reduced":"Li4Cr3NiO8","formula_anonymous":"AB3C4D8","energy":-233.59573617,"energy_per_atom":-7.2998667553125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-205.52773617,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":20.0005844,"is_theoretical":true,"updated_at":"2021-11-28T01:38:26.513000Z","spacegroup":2},{"id":"mp-1034167","created_at":"2022-09-04T14:48:16.061880Z","structure_string":"Rb1 Mg14 W1 O16\n1.0\n8.736173 0.000000 0.000000\n0.000000 8.736173 0.000000\n0.000000 0.000000 4.468430\nRb Mg W O\n1 14 1 16\ndirect\n0.000000 0.000000 0.000000 Rb\n0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 Mg\n0.000000 0.252008 0.500000 Mg\n0.000000 0.747992 0.500000 Mg\n0.500000 0.240525 0.500000 Mg\n0.500000 0.759475 0.500000 Mg\n0.252008 0.000000 0.500000 Mg\n0.240525 0.500000 0.500000 Mg\n0.747992 0.000000 0.500000 Mg\n0.759475 0.500000 0.500000 Mg\n0.246245 0.246245 0.000000 Mg\n0.246245 0.753755 0.000000 Mg\n0.753755 0.246245 0.000000 Mg\n0.753755 0.753755 0.000000 Mg\n0.500000 0.500000 0.000000 W\n0.280735 0.000000 0.000000 O\n0.252089 0.500000 0.000000 O\n0.719265 0.000000 0.000000 O\n0.747911 0.500000 0.000000 O\n0.252574 0.252574 0.500000 O\n0.252574 0.747426 0.500000 O\n0.747426 0.252574 0.500000 O\n0.747426 0.747426 0.500000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.280735 0.000000 O\n0.000000 0.719265 0.000000 O\n0.500000 0.252089 0.000000 O\n0.500000 0.747911 0.000000 O\n","nsites":32,"nelements":4,"elements":["Rb","Mg","W","O"],"chemical_system":"Mg-O-Rb-W","density":4.214567169812193,"density_atomic":0.09383234457219618,"volume":341.0337889977657,"volume_molar":6.417979628939639,"formula_full":"Rb1 Mg14 W1 O16","formula_reduced":"RbMg14WO16","formula_anonymous":"ABC14D16","energy":-200.76092142,"energy_per_atom":-6.273778794375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-185.33092142,"band_gap":2.0293,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":2.9999999,"is_theoretical":true,"updated_at":"2021-11-28T01:38:51.538000Z","spacegroup":123}]}