{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formation_energy_per_atom&page=10178","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formation_energy_per_atom&page=10176","results":[{"id":"mp-1071791","created_at":"2022-09-04T14:46:27.912331Z","structure_string":"C2 N2 Cl2\n1.0\n4.487319 0.000000 0.000000\n0.000000 4.487319 0.000000\n0.000000 0.000000 4.401065\nC N Cl\n2 2 2\ndirect\n0.000000 0.500000 0.277213 C\n0.500000 0.000000 0.722787 C\n0.000000 0.500000 0.545746 N\n0.500000 0.000000 0.454254 N\n0.000000 0.000000 0.000000 Cl\n0.500000 0.500000 0.000000 Cl\n","nsites":6,"nelements":3,"elements":["C","N","Cl"],"chemical_system":"C-Cl-N","density":2.3036339001324335,"density_atomic":0.06770481863254237,"volume":88.61998482802369,"volume_molar":8.894700379723718,"formula_full":"C2 N2 Cl2","formula_reduced":"CNCl","formula_anonymous":"ABC","energy":-31.06559569,"energy_per_atom":-5.177599281666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-29.11559569,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0028871,"is_theoretical":true,"updated_at":"2021-11-28T01:37:41.448000Z","spacegroup":129},{"id":"mp-1181841","created_at":"2022-09-04T14:46:27.913212Z","structure_string":"Cr2 Bi2 O6\n1.0\n8.768473 2.796375 9.524091\n-2.707573 3.356084 3.904908\n-6.152638 -6.442477 -1.652886\nCr Bi O\n2 2 6\ndirect\n0.468394 0.722027 0.005036 Cr\n0.463358 0.222027 0.994964 Cr\n0.005193 0.495253 0.002931 Bi\n0.002263 0.995253 0.997069 Bi\n0.953683 0.640717 0.575665 O\n0.378017 0.140717 0.424335 O\n0.471409 0.268316 0.519577 O\n0.494961 0.006687 0.152072 O\n0.342889 0.506687 0.847928 O\n0.951833 0.768316 0.480423 O\n","nsites":10,"nelements":3,"elements":["Cr","Bi","O"],"chemical_system":"Bi-Cr-O","density":2.2550040376569824,"density_atomic":0.021975831247399272,"volume":455.0453581219345,"volume_molar":27.40347198794899,"formula_full":"Cr2 Bi2 O6","formula_reduced":"CrBiO3","formula_anonymous":"ABC3","energy":-57.34605755,"energy_per_atom":-5.734605755,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-52.38205755,"band_gap":0.0298,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":12.0002676,"is_theoretical":true,"updated_at":"2021-11-28T01:37:41.110000Z","spacegroup":9},{"id":"mp-1236326","created_at":"2022-09-04T14:46:27.921829Z","structure_string":"Ba1 Li1 V2 Ni3 H2 O10\n1.0\n-0.001711 -6.018064 -0.008218\n4.587034 -3.010749 -2.457079\n4.490147 -2.999878 5.680836\nBa Li V Ni H O\n1 1 2 3 2 10\ndirect\n0.953626 0.611547 0.483615 Ba\n0.131335 0.050400 0.682372 Li\n0.582828 0.081469 0.750534 V\n0.410408 0.932811 0.246716 V\n0.992843 0.003822 0.009598 Ni\n0.994320 0.497242 0.996180 Ni\n0.511417 0.497033 0.996169 Ni\n0.297541 0.676540 0.728989 H\n0.731547 0.252009 0.285780 H\n0.214184 0.214806 0.815885 O\n0.752992 0.215039 0.816524 O\n0.762915 0.794996 0.170846 O\n0.271491 0.795200 0.170509 O\n0.720218 0.724191 0.833035 O\n0.276917 0.271979 0.174168 O\n0.331427 0.849578 0.488324 O\n0.689430 0.122363 0.502128 O\n0.221772 0.691953 0.862760 O\n0.777791 0.300356 0.144198 O\n","nsites":19,"nelements":6,"elements":["Ba","Li","V","Ni","H","O"],"chemical_system":"Ba-H-Li-Ni-O-V","density":4.345426977957124,"density_atomic":0.08510299989850921,"volume":223.25887480651352,"volume_molar":7.076296684231801,"formula_full":"Ba1 Li1 V2 Ni3 H2 O10","formula_reduced":"BaLiV2Ni3(HO5)2","formula_anonymous":"ABC2D2E3F10","energy":-130.50749356,"energy_per_atom":-6.8688154505263155,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-112.61449356,"band_gap":0.0114,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.0009998,"is_theoretical":true,"updated_at":"2021-11-28T01:37:41.611000Z","spacegroup":8},{"id":"mp-1213130","created_at":"2022-09-04T14:46:27.898641Z","structure_string":"Dy24 Al14 Si2\n1.0\n-5.833225 5.833225 7.629785\n5.833225 -5.833225 7.629785\n5.833225 5.833225 -7.629785\nDy Al Si\n24 14 2\ndirect\n0.147727 0.647727 0.500000 Dy\n0.852273 0.352273 0.500000 Dy\n0.647727 0.147727 0.500000 Dy\n0.352273 0.852273 0.500000 Dy\n0.836553 0.700855 0.264541 Dy\n0.163447 0.299145 0.735459 Dy\n0.436315 0.572012 0.735459 Dy\n0.700855 0.436315 0.864302 Dy\n0.063685 0.799145 0.135698 Dy\n0.563685 0.427988 0.264541 Dy\n0.299145 0.563685 0.135698 Dy\n0.936315 0.200855 0.864302 Dy\n0.572012 0.836553 0.135698 Dy\n0.663447 0.927988 0.864302 Dy\n0.427988 0.163447 0.864302 Dy\n0.336553 0.072012 0.135698 Dy\n0.927988 0.063685 0.264541 Dy\n0.072012 0.936315 0.735459 Dy\n0.799145 0.663447 0.735459 Dy\n0.200855 0.336553 0.264541 Dy\n0.169999 0.669999 0.839998 Dy\n0.830001 0.330001 0.160002 Dy\n0.669999 0.830001 0.500000 Dy\n0.330001 0.169999 0.500000 Dy\n0.617737 0.117737 0.735475 Al\n0.382263 0.882263 0.264525 Al\n0.117737 0.382263 0.500000 Al\n0.882263 0.617737 0.500000 Al\n0.500000 0.500000 0.000000 Al\n0.000000 0.000000 0.000000 Al\n0.382005 0.882005 0.856769 Al\n0.617995 0.117995 0.143231 Al\n0.025235 0.525235 0.143231 Al\n0.882005 0.025235 0.500000 Al\n0.474765 0.617995 0.500000 Al\n0.974765 0.474765 0.856769 Al\n0.117995 0.974765 0.500000 Al\n0.525235 0.382005 0.500000 Al\n0.750000 0.750000 0.000000 Si\n0.250000 0.250000 0.000000 Si\n","nsites":40,"nelements":3,"elements":["Dy","Al","Si"],"chemical_system":"Al-Dy-Si","density":6.930099850117494,"density_atomic":0.03851857775499363,"volume":1038.4599414451204,"volume_molar":15.634379852509685,"formula_full":"Dy24 Al14 Si2","formula_reduced":"Dy12Al7Si","formula_anonymous":"AB7C12","energy":-188.81705996,"energy_per_atom":-4.720426499,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-188.95905996,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.3466342,"is_theoretical":true,"updated_at":"2021-11-28T01:37:41.234000Z","spacegroup":140},{"id":"mp-504712","created_at":"2022-09-04T14:46:27.901404Z","structure_string":"Ca4 V8 O16\n1.0\n3.093943 0.000000 0.000000\n0.000000 9.275978 0.000000\n0.000000 0.000000 10.836503\nCa V O\n4 8 16\ndirect\n0.250000 0.256160 0.152584 Ca\n0.750000 0.743840 0.847416 Ca\n0.250000 0.756160 0.347416 Ca\n0.750000 0.243840 0.652584 Ca\n0.250000 0.434563 0.387228 V\n0.750000 0.565437 0.612772 V\n0.250000 0.934563 0.112772 V\n0.750000 0.065437 0.887228 V\n0.250000 0.417571 0.894678 V\n0.750000 0.582429 0.105322 V\n0.250000 0.917571 0.605322 V\n0.750000 0.082429 0.394678 V\n0.250000 0.207252 0.834101 O\n0.750000 0.792748 0.165899 O\n0.250000 0.707252 0.665899 O\n0.750000 0.292748 0.334101 O\n0.250000 0.117464 0.524909 O\n0.750000 0.882536 0.475091 O\n0.250000 0.617464 0.975091 O\n0.750000 0.382536 0.024909 O\n0.250000 0.025160 0.282505 O\n0.750000 0.974840 0.717495 O\n0.250000 0.525160 0.217495 O\n0.750000 0.474840 0.782505 O\n0.250000 0.418952 0.572331 O\n0.750000 0.581048 0.427669 O\n0.250000 0.918952 0.927669 O\n0.750000 0.081048 0.072331 O\n","nsites":28,"nelements":3,"elements":["Ca","V","O"],"chemical_system":"Ca-O-V","density":4.398735476926671,"density_atomic":0.09003199163350652,"volume":311.0005620444306,"volume_molar":6.688889860966695,"formula_full":"Ca4 V8 O16","formula_reduced":"CaV2O4","formula_anonymous":"AB2C4","energy":-238.30098149000003,"energy_per_atom":-8.510749338928573,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-213.70898149,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":16.000168,"is_theoretical":false,"updated_at":"2021-11-28T01:37:39.061000Z","spacegroup":62},{"id":"mp-1245842","created_at":"2022-09-04T14:46:27.914729Z","structure_string":"Ni4 Ge4 N8\n1.0\n5.365025 0.000000 0.000000\n0.000000 6.491356 0.000000\n0.000000 0.000000 5.121195\nNi Ge N\n4 4 8\ndirect\n0.574325 0.878835 0.993636 Ni\n0.425675 0.121165 0.493636 Ni\n0.925675 0.378835 0.493636 Ni\n0.074325 0.621165 0.993636 Ni\n0.579110 0.376050 0.998557 Ge\n0.420890 0.623950 0.498557 Ge\n0.920890 0.876050 0.498557 Ge\n0.079110 0.123950 0.998557 Ge\n0.569645 0.385637 0.365890 N\n0.430355 0.614363 0.865890 N\n0.930355 0.885637 0.865890 N\n0.069645 0.114363 0.365890 N\n0.590250 0.860904 0.382918 N\n0.409750 0.139096 0.882918 N\n0.909750 0.360904 0.882918 N\n0.090250 0.639096 0.382918 N\n","nsites":16,"nelements":3,"elements":["Ni","Ge","N"],"chemical_system":"Ge-N-Ni","density":5.934360768626749,"density_atomic":0.08971013131519984,"volume":178.35220799960055,"volume_molar":6.712888133939953,"formula_full":"Ni4 Ge4 N8","formula_reduced":"NiGeN2","formula_anonymous":"ABC2","energy":-107.65573135,"energy_per_atom":-6.728483209375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-104.76773135,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.9999558,"is_theoretical":true,"updated_at":"2021-11-28T01:37:39.573000Z","spacegroup":33},{"id":"mp-734199","created_at":"2022-09-04T14:46:28.634696Z","structure_string":"Mn6 H6 C24 O24\n1.0\n8.284129 0.000000 0.000000\n3.945356 8.021518 0.000000\n2.236509 2.568254 13.800871\nMn H C O\n6 6 24 24\ndirect\n0.974810 0.893714 0.291126 Mn\n0.025190 0.106286 0.708874 Mn\n0.189843 0.500860 0.282418 Mn\n0.810157 0.499140 0.717582 Mn\n0.315669 0.761056 0.153263 Mn\n0.684331 0.238944 0.846737 Mn\n0.054456 0.681875 0.323590 H\n0.945544 0.318125 0.676410 H\n0.339817 0.553810 0.198655 H\n0.660183 0.446190 0.801345 H\n0.127629 0.917471 0.200483 H\n0.872371 0.082529 0.799517 H\n0.119942 0.879744 0.383735 C\n0.880058 0.120256 0.616265 C\n0.882035 0.124411 0.269180 C\n0.117965 0.875589 0.730820 C\n0.836586 0.905822 0.196318 C\n0.163414 0.094178 0.803682 C\n0.797409 0.890345 0.385277 C\n0.202591 0.109655 0.614723 C\n0.335957 0.467621 0.379620 C\n0.664043 0.532379 0.620380 C\n0.046842 0.424064 0.371489 C\n0.953158 0.575936 0.628511 C\n0.051171 0.528151 0.182686 C\n0.948829 0.471849 0.817314 C\n0.338348 0.287639 0.262275 C\n0.661652 0.712361 0.737725 C\n0.465273 0.727128 0.249153 C\n0.534727 0.272872 0.750847 C\n0.512632 0.639944 0.080414 C\n0.487368 0.360056 0.919586 C\n0.173663 0.786455 0.056180 C\n0.826337 0.213545 0.943820 C\n0.324229 0.964135 0.099188 C\n0.675771 0.035865 0.900812 C\n0.202180 0.877383 0.443197 O\n0.797820 0.122617 0.556803 O\n0.819698 0.271509 0.256104 O\n0.180302 0.728491 0.743896 O\n0.745274 0.921316 0.137601 O\n0.254726 0.078684 0.862399 O\n0.685302 0.890152 0.445176 O\n0.314698 0.109848 0.554824 O\n0.427549 0.436118 0.441456 O\n0.572451 0.563882 0.558544 O\n0.958726 0.372959 0.429127 O\n0.041274 0.627041 0.570873 O\n0.968758 0.532752 0.122685 O\n0.031242 0.467248 0.877315 O\n0.432305 0.148734 0.253790 O\n0.567695 0.851266 0.746210 O\n0.567489 0.704126 0.303647 O\n0.432511 0.295874 0.696353 O\n0.633967 0.564548 0.031862 O\n0.366033 0.435452 0.968138 O\n0.092846 0.805630 0.991613 O\n0.907154 0.194370 0.008387 O\n0.324419 0.095455 0.067117 O\n0.675581 0.904545 0.932883 O\n","nsites":60,"nelements":4,"elements":["Mn","H","C","O"],"chemical_system":"C-H-Mn-O","density":1.8250069399868198,"density_atomic":0.0654246395288259,"volume":917.0856795254359,"volume_molar":9.204698418470711,"formula_full":"Mn6 H6 C24 O24","formula_reduced":"MnH(CO)4","formula_anonymous":"ABC4D4","energy":-454.10180415,"energy_per_atom":-7.5683634025,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-427.60580415,"band_gap":2.794,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001922,"is_theoretical":false,"updated_at":"2021-11-28T01:37:41.679000Z","spacegroup":2},{"id":"mp-559568","created_at":"2022-09-04T14:46:28.707347Z","structure_string":"K32 Se32 O80\n1.0\n9.983398 0.000000 0.000000\n0.000000 10.873815 0.000000\n0.000000 0.000000 25.743342\nK Se O\n32 32 80\ndirect\n0.525088 0.495611 0.870256 K\n0.000528 0.791521 0.992155 K\n0.474912 0.504389 0.129744 K\n0.107529 0.496848 0.125899 K\n0.459377 0.752458 0.744940 K\n0.540623 0.247542 0.255060 K\n0.500528 0.708479 0.992155 K\n0.499472 0.791521 0.492155 K\n0.999472 0.708479 0.492155 K\n0.500528 0.208479 0.507845 K\n0.974912 0.495611 0.370256 K\n0.974912 0.995611 0.129744 K\n0.959377 0.747542 0.744940 K\n0.892471 0.503152 0.874101 K\n0.959377 0.247542 0.755060 K\n0.459377 0.252458 0.755060 K\n0.607529 0.503152 0.374101 K\n0.107529 0.996848 0.374101 K\n0.025088 0.504389 0.629744 K\n0.000528 0.291521 0.507845 K\n0.040623 0.252458 0.255060 K\n0.540623 0.747542 0.244940 K\n0.392471 0.996848 0.874101 K\n0.474912 0.004389 0.370256 K\n0.040623 0.752458 0.244940 K\n0.607529 0.003152 0.125899 K\n0.999472 0.208479 0.007845 K\n0.525088 0.995611 0.629744 K\n0.892471 0.003152 0.625899 K\n0.392471 0.496848 0.625899 K\n0.025088 0.004389 0.870256 K\n0.499472 0.291521 0.007845 K\n0.286872 0.491737 0.486928 Se\n0.713128 0.508263 0.513072 Se\n0.326123 0.296612 0.388216 Se\n0.303476 0.201954 0.139255 Se\n0.214204 0.004319 0.739223 Se\n0.713128 0.008263 0.986928 Se\n0.803476 0.298046 0.139255 Se\n0.714204 0.495681 0.739223 Se\n0.785796 0.495681 0.239223 Se\n0.785796 0.995681 0.260777 Se\n0.214204 0.504319 0.760777 Se\n0.173877 0.796612 0.611784 Se\n0.826123 0.203388 0.388216 Se\n0.286872 0.991737 0.013072 Se\n0.786872 0.508263 0.013072 Se\n0.285796 0.504319 0.260777 Se\n0.826123 0.703388 0.111784 Se\n0.213128 0.991737 0.513072 Se\n0.213128 0.491737 0.986928 Se\n0.173877 0.296612 0.888216 Se\n0.303476 0.701954 0.360745 Se\n0.786872 0.008263 0.486928 Se\n0.803476 0.798046 0.360745 Se\n0.196524 0.701954 0.860745 Se\n0.673877 0.703388 0.611784 Se\n0.696524 0.298046 0.639255 Se\n0.696524 0.798046 0.860745 Se\n0.285796 0.004319 0.239223 Se\n0.326123 0.796612 0.111784 Se\n0.196524 0.201954 0.639255 Se\n0.673877 0.203388 0.888216 Se\n0.714204 0.995681 0.760777 Se\n0.526265 0.721618 0.642530 O\n0.117634 0.590628 0.812679 O\n0.263259 0.321527 0.178083 O\n0.550765 0.760347 0.889500 O\n0.196241 0.668222 0.576049 O\n0.803759 0.331778 0.423951 O\n0.135756 0.991076 0.042783 O\n0.949235 0.760347 0.389500 O\n0.603249 0.591470 0.561218 O\n0.303759 0.168222 0.423951 O\n0.284689 0.106778 0.288273 O\n0.215311 0.606778 0.711727 O\n0.617634 0.909372 0.812679 O\n0.873054 0.996707 0.783966 O\n0.449235 0.239653 0.110500 O\n0.784689 0.893222 0.211727 O\n0.696241 0.831778 0.576049 O\n0.364244 0.491076 0.957217 O\n0.396751 0.408530 0.438782 O\n0.635756 0.508924 0.042783 O\n0.396751 0.908530 0.061218 O\n0.763259 0.178473 0.178083 O\n0.026265 0.278382 0.857470 O\n0.364244 0.991076 0.542783 O\n0.263259 0.821527 0.321917 O\n0.763259 0.678473 0.321917 O\n0.778035 0.112932 0.535003 O\n0.896751 0.091470 0.438782 O\n0.896751 0.591470 0.061218 O\n0.721965 0.612932 0.464997 O\n0.236741 0.321527 0.678083 O\n0.635756 0.008924 0.457217 O\n0.221965 0.887068 0.464997 O\n0.626946 0.496707 0.216034 O\n0.882366 0.909372 0.312679 O\n0.050765 0.239653 0.610500 O\n0.126946 0.503293 0.283966 O\n0.864244 0.008924 0.957217 O\n0.736741 0.678473 0.821917 O\n0.803759 0.831778 0.076049 O\n0.626946 0.996707 0.283966 O\n0.284689 0.606778 0.211727 O\n0.973735 0.721618 0.142530 O\n0.696241 0.331778 0.923951 O\n0.236741 0.821527 0.821917 O\n0.382366 0.590628 0.312679 O\n0.473735 0.278382 0.357470 O\n0.882366 0.409372 0.187321 O\n0.215311 0.106778 0.788273 O\n0.784689 0.393222 0.288273 O\n0.973735 0.221618 0.357470 O\n0.278035 0.387068 0.535003 O\n0.526265 0.221618 0.857470 O\n0.736741 0.178473 0.678083 O\n0.864244 0.508924 0.542783 O\n0.103249 0.908530 0.561218 O\n0.873054 0.496707 0.716034 O\n0.026265 0.778382 0.642530 O\n0.449235 0.739653 0.389500 O\n0.303759 0.668222 0.076049 O\n0.373054 0.503293 0.783966 O\n0.196241 0.168222 0.923951 O\n0.373054 0.003293 0.716034 O\n0.382366 0.090628 0.187321 O\n0.117634 0.090628 0.687321 O\n0.949235 0.260347 0.110500 O\n0.278035 0.887068 0.964997 O\n0.221965 0.387068 0.035003 O\n0.126946 0.003293 0.216034 O\n0.550765 0.260347 0.610500 O\n0.050765 0.739653 0.889500 O\n0.778035 0.612932 0.964997 O\n0.721965 0.112932 0.035003 O\n0.103249 0.408530 0.938782 O\n0.715311 0.893222 0.711727 O\n0.603249 0.091470 0.938782 O\n0.715311 0.393222 0.788273 O\n0.135756 0.491076 0.457217 O\n0.617634 0.409372 0.687321 O\n0.473735 0.778382 0.142530 O\n","nsites":144,"nelements":3,"elements":["K","Se","O"],"chemical_system":"K-O-Se","density":3.005294312244909,"density_atomic":0.05152728272949522,"volume":2794.6360136233534,"volume_molar":11.687285727086882,"formula_full":"K32 Se32 O80","formula_reduced":"K2Se2O5","formula_anonymous":"A2B2C5","energy":-784.17779104,"energy_per_atom":-5.445679104444444,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-729.21779104,"band_gap":3.4243,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0109241,"is_theoretical":false,"updated_at":"2021-11-28T01:37:41.826000Z","spacegroup":61},{"id":"mp-1207460","created_at":"2022-09-04T14:46:28.732396Z","structure_string":"Zn2 Ga1 Se4\n1.0\n-2.800179 2.800179 5.498519\n2.800179 -2.800179 5.498519\n2.800179 2.800179 -5.498519\nZn Ga Se\n2 1 4\ndirect\n0.250000 0.750000 0.500000 Zn\n0.750000 0.250000 0.500000 Zn\n0.000000 0.000000 0.000000 Ga\n0.852902 0.379974 0.000000 Se\n0.379974 0.852902 0.000000 Se\n0.620026 0.620026 0.472927 Se\n0.147098 0.147098 0.527073 Se\n","nsites":7,"nelements":3,"elements":["Zn","Ga","Se"],"chemical_system":"Ga-Se-Zn","density":4.9721250386328855,"density_atomic":0.0405901568967888,"volume":172.4556034064946,"volume_molar":14.836455979494941,"formula_full":"Zn2 Ga1 Se4","formula_reduced":"Zn2GaSe4","formula_anonymous":"AB2C4","energy":-24.982405720000003,"energy_per_atom":-3.5689151028571433,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-23.09440572,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.3852768,"is_theoretical":true,"updated_at":"2021-11-28T01:37:41.435000Z","spacegroup":121},{"id":"mp-757415","created_at":"2022-09-04T14:46:28.747972Z","structure_string":"Na8 Fe4 O8\n1.0\n-0.513010 -0.000735 5.747462\n7.978706 -0.001208 -0.001499\n-0.000845 6.126335 0.000622\nNa Fe O\n8 4 8\ndirect\n0.506293 0.018678 0.244437 Na\n0.006368 0.018714 0.255667 Na\n0.993655 0.981296 0.744439 Na\n0.493744 0.981318 0.755652 Na\n0.926711 0.331796 0.854157 Na\n0.426402 0.331211 0.645870 Na\n0.573570 0.668816 0.354094 Na\n0.073319 0.668209 0.145748 Na\n0.343887 0.358882 0.117884 Fe\n0.656194 0.641142 0.882142 Fe\n0.843471 0.359065 0.382272 Fe\n0.156427 0.640876 0.617801 Fe\n0.755136 0.146411 0.531156 O\n0.255252 0.146273 0.968890 O\n0.744794 0.853670 0.031156 O\n0.244887 0.853633 0.468873 O\n0.700778 0.448230 0.119268 O\n0.200700 0.447554 0.380881 O\n0.799204 0.552434 0.619020 O\n0.299206 0.551792 0.880594 O\n","nsites":20,"nelements":3,"elements":["Na","Fe","O"],"chemical_system":"Fe-Na-O","density":3.164017833102445,"density_atomic":0.07119147141936996,"volume":280.9325274678667,"volume_molar":8.459076122370297,"formula_full":"Na8 Fe4 O8","formula_reduced":"Na2FeO2","formula_anonymous":"AB2C2","energy":-114.22763691,"energy_per_atom":-5.7113818455,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-99.70763691,"band_gap":0.2604999999999999,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.04e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:37:39.623000Z","spacegroup":14},{"id":"mp-998915","created_at":"2022-09-04T14:46:28.753428Z","structure_string":"K4 O2\n1.0\n4.236669 0.000000 0.000000\n0.000000 5.947081 0.000000\n0.000000 0.000000 6.326059\nK O\n4 2\ndirect\n0.500000 0.828678 0.204383 K\n0.000000 0.328678 0.295617 K\n0.000000 0.671322 0.704383 K\n0.500000 0.171322 0.795617 K\n0.000000 0.000000 0.000000 O\n0.500000 0.500000 0.500000 O\n","nsites":6,"nelements":2,"elements":["K","O"],"chemical_system":"K-O","density":1.962681945205693,"density_atomic":0.03764346770103998,"volume":159.39020410264268,"volume_molar":15.997837414520728,"formula_full":"K4 O2","formula_reduced":"K2O","formula_anonymous":"AB2","energy":-21.64734302,"energy_per_atom":-3.6078905033333335,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-20.27334302,"band_gap":0.6523000000000001,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0005067,"is_theoretical":true,"updated_at":"2021-11-28T01:37:41.758000Z","spacegroup":58},{"id":"mp-570377","created_at":"2022-09-04T14:47:00.174207Z","structure_string":"Sn3 As4\n1.0\n5.861202 0.000000 0.000000\n0.000000 5.861202 0.000000\n0.000000 0.000000 5.861202\nSn As\n3 4\ndirect\n0.000000 0.000000 0.500000 Sn\n0.500000 0.000000 0.000000 Sn\n0.000000 0.500000 0.000000 Sn\n0.286970 0.713030 0.286970 As\n0.713030 0.286970 0.286970 As\n0.286970 0.286970 0.713030 As\n0.713030 0.713030 0.713030 As\n","nsites":7,"nelements":2,"elements":["Sn","As"],"chemical_system":"As-Sn","density":5.4084311187323335,"density_atomic":0.03476465890349524,"volume":201.35390999899093,"volume_molar":17.322594122718495,"formula_full":"Sn3 As4","formula_reduced":"Sn3As4","formula_anonymous":"A3B4","energy":-30.9119431,"energy_per_atom":-4.415991871428571,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-30.9119431,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001939,"is_theoretical":true,"updated_at":"2021-11-28T01:37:48.630000Z","spacegroup":215}]}