{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formation_energy&page=10193","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formation_energy&page=10191","results":[{"id":"mp-757441","created_at":"2022-09-04T14:40:53.048589Z","structure_string":"Li5 Mn2 Fe3 P6 O24\n1.0\n8.548338 0.000000 0.000000\n4.052400 7.613014 0.000000\n4.046095 2.479818 7.211503\nLi Mn Fe P O\n5 2 3 6 24\ndirect\n0.753877 0.142710 0.355657 Li\n0.197863 0.851244 0.662215 Li\n0.661993 0.195909 0.852194 Li\n0.851509 0.661358 0.196771 Li\n0.845158 0.839851 0.845011 Li\n0.007605 0.997039 0.991883 Mn\n0.488424 0.506612 0.500423 Mn\n0.148872 0.146742 0.141337 Fe\n0.351821 0.356902 0.353281 Fe\n0.650383 0.651302 0.656608 Fe\n0.054107 0.751555 0.452678 P\n0.451532 0.052899 0.755473 P\n0.753237 0.452027 0.054471 P\n0.255556 0.541530 0.956713 P\n0.547916 0.959152 0.256974 P\n0.949760 0.253732 0.539206 P\n0.112372 0.321452 0.478186 O\n0.333869 0.491171 0.106592 O\n0.049849 0.916478 0.263776 O\n0.521658 0.107215 0.325394 O\n0.033709 0.809731 0.603047 O\n0.245587 0.593769 0.421612 O\n0.255020 0.069092 0.908812 O\n0.439728 0.239131 0.586863 O\n0.188672 0.386045 0.995517 O\n0.597912 0.419788 0.250471 O\n0.098898 0.733276 0.945902 O\n0.380067 0.009158 0.199974 O\n0.603589 0.026432 0.817774 O\n0.903461 0.251709 0.074391 O\n0.407289 0.566846 0.758215 O\n0.814712 0.601742 0.030523 O\n0.564721 0.761444 0.410460 O\n0.737395 0.941588 0.097057 O\n0.753854 0.409025 0.570383 O\n0.967712 0.193314 0.387778 O\n0.492193 0.889042 0.697067 O\n0.946576 0.096896 0.730457 O\n0.692384 0.492993 0.892644 O\n0.889157 0.689102 0.499209 O\n","nsites":40,"nelements":5,"elements":["Li","Mn","Fe","P","O"],"chemical_system":"Fe-Li-Mn-O-P","density":3.120513988485413,"density_atomic":0.08523066728088696,"volume":469.3146407991344,"volume_molar":7.065697069053066,"formula_full":"Li5 Mn2 Fe3 P6 O24","formula_reduced":"Li5Mn2Fe3(PO4)6","formula_anonymous":"A2B3C5D6E24","energy":-303.53525457,"energy_per_atom":-7.58838136425,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-276.94325457,"band_gap":1.9183,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":25.0314525,"is_theoretical":true,"updated_at":"2021-11-28T01:35:00.930000Z","spacegroup":1},{"id":"mp-1217338","created_at":"2022-09-04T14:40:53.051094Z","structure_string":"Ti4 Cr8 Cu6 Se24\n1.0\n5.230109 5.230406 0.000000\n-5.230109 5.230406 0.000000\n0.000000 4.906181 15.682121\nTi Cr Cu Se\n4 8 6 24\ndirect\n0.165551 0.666029 0.666457 Ti\n0.834449 0.333971 0.333543 Ti\n0.333971 0.834449 0.833543 Ti\n0.666029 0.165551 0.166457 Ti\n0.500000 0.000000 0.000000 Cr\n0.666166 0.667372 0.666576 Cr\n0.333834 0.332628 0.333424 Cr\n0.000000 0.000000 0.000000 Cr\n0.000000 0.500000 0.500000 Cr\n0.332628 0.333834 0.833424 Cr\n0.000000 0.000000 0.500000 Cr\n0.667372 0.666166 0.166576 Cr\n0.790692 0.541418 0.917613 Cu\n0.458582 0.209308 0.582387 Cu\n0.126204 0.873796 0.250000 Cu\n0.541418 0.790692 0.417613 Cu\n0.209308 0.458582 0.082387 Cu\n0.873796 0.126204 0.750000 Cu\n0.416895 0.904503 0.669630 Se\n0.083496 0.568324 0.338458 Se\n0.748497 0.233822 0.003308 Se\n0.416449 0.427571 0.671505 Se\n0.083028 0.093115 0.338300 Se\n0.746840 0.764121 0.005816 Se\n0.095497 0.583105 0.830370 Se\n0.766178 0.251503 0.496692 Se\n0.431676 0.916504 0.161542 Se\n0.572429 0.583551 0.828495 Se\n0.235879 0.253160 0.494184 Se\n0.906885 0.916972 0.161700 Se\n0.916504 0.431676 0.661542 Se\n0.583105 0.095497 0.330370 Se\n0.251503 0.766178 0.996692 Se\n0.916972 0.906885 0.661700 Se\n0.583551 0.572429 0.328495 Se\n0.253160 0.235879 0.994184 Se\n0.233822 0.748497 0.503308 Se\n0.904503 0.416895 0.169630 Se\n0.568324 0.083496 0.838458 Se\n0.764121 0.746840 0.505816 Se\n0.427571 0.416449 0.171505 Se\n0.093115 0.083028 0.838300 Se\n","nsites":42,"nelements":4,"elements":["Ti","Cr","Cu","Se"],"chemical_system":"Cr-Cu-Se-Ti","density":5.581182053675248,"density_atomic":0.04895176471899397,"volume":857.987454407408,"volume_molar":12.302193382751176,"formula_full":"Ti4 Cr8 Cu6 Se24","formula_reduced":"Ti2Cr4(CuSe4)3","formula_anonymous":"A2B3C4D12","energy":-255.29377888,"energy_per_atom":-6.078423306666666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-243.96577888,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":22.5061788,"is_theoretical":true,"updated_at":"2021-11-28T01:34:57.418000Z","spacegroup":15},{"id":"mp-1223757","created_at":"2022-09-04T14:40:53.234351Z","structure_string":"In2 Bi1\n1.0\n2.786459 -4.826288 0.000000\n2.786459 4.826288 0.000000\n0.000000 0.000000 3.355875\nIn Bi\n2 1\ndirect\n0.000000 0.000000 0.500000 In\n0.333333 0.666667 0.000000 In\n0.666667 0.333333 0.500000 Bi\n","nsites":3,"nelements":2,"elements":["In","Bi"],"chemical_system":"Bi-In","density":8.069233832069864,"density_atomic":0.03323682970737437,"volume":90.26131632928816,"volume_molar":18.118878403928658,"formula_full":"In2 Bi1","formula_reduced":"In2Bi","formula_anonymous":"AB2","energy":-9.25395112,"energy_per_atom":-3.0846503733333335,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-9.25395112,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0011659,"is_theoretical":true,"updated_at":"2021-11-28T01:34:58.287000Z","spacegroup":187},{"id":"mp-1040192","created_at":"2022-09-04T14:40:53.058051Z","structure_string":"K1 Mg30 Sb1 O32\n1.0\n8.636992 0.000000 0.000000\n0.000000 8.636992 0.000000\n0.000000 0.000000 8.691957\nK Mg Sb O\n1 30 1 32\ndirect\n0.000000 0.000000 0.000000 K\n0.000000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.000000 0.257725 0.244257 Mg\n0.000000 0.257725 0.755743 Mg\n0.000000 0.742275 0.244257 Mg\n0.000000 0.742275 0.755743 Mg\n0.500000 0.250672 0.248602 Mg\n0.500000 0.250672 0.751398 Mg\n0.500000 0.749328 0.248602 Mg\n0.500000 0.749328 0.751398 Mg\n0.257725 0.000000 0.244257 Mg\n0.257725 0.000000 0.755743 Mg\n0.250672 0.500000 0.248602 Mg\n0.250672 0.500000 0.751398 Mg\n0.742275 0.000000 0.244257 Mg\n0.742275 0.000000 0.755743 Mg\n0.749328 0.500000 0.248602 Mg\n0.749328 0.500000 0.751398 Mg\n0.251931 0.251931 0.000000 Mg\n0.255522 0.255522 0.500000 Mg\n0.251931 0.748069 0.000000 Mg\n0.255522 0.744478 0.500000 Mg\n0.748069 0.251931 0.000000 Mg\n0.744478 0.255522 0.500000 Mg\n0.748069 0.748069 0.000000 Mg\n0.744478 0.744478 0.500000 Mg\n0.000000 0.000000 0.500000 Sb\n0.274209 0.000000 0.000000 O\n0.264920 0.000000 0.500000 O\n0.254528 0.500000 0.000000 O\n0.252622 0.500000 0.500000 O\n0.725791 0.000000 0.000000 O\n0.735080 0.000000 0.500000 O\n0.745472 0.500000 0.000000 O\n0.747378 0.500000 0.500000 O\n0.249112 0.249112 0.250640 O\n0.249112 0.249112 0.749360 O\n0.249112 0.750888 0.250640 O\n0.249112 0.750888 0.749360 O\n0.750888 0.249112 0.250640 O\n0.750888 0.249112 0.749360 O\n0.750888 0.750888 0.250640 O\n0.750888 0.750888 0.749360 O\n0.000000 0.000000 0.258346 O\n0.000000 0.000000 0.741654 O\n0.000000 0.500000 0.253207 O\n0.000000 0.500000 0.746793 O\n0.500000 0.000000 0.253207 O\n0.500000 0.000000 0.746793 O\n0.500000 0.500000 0.251270 O\n0.500000 0.500000 0.748730 O\n0.000000 0.274209 0.000000 O\n0.000000 0.264920 0.500000 O\n0.000000 0.725791 0.000000 O\n0.000000 0.735080 0.500000 O\n0.500000 0.254528 0.000000 O\n0.500000 0.252622 0.500000 O\n0.500000 0.745472 0.000000 O\n0.500000 0.747378 0.500000 O\n","nsites":64,"nelements":4,"elements":["K","Mg","Sb","O"],"chemical_system":"K-Mg-O-Sb","density":3.590468581652792,"density_atomic":0.09870459483848656,"volume":648.3993992855674,"volume_molar":6.101175704995517,"formula_full":"K1 Mg30 Sb1 O32","formula_reduced":"KMg30SbO32","formula_anonymous":"ABC30D32","energy":-396.10506809,"energy_per_atom":-6.18914168890625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-374.12106809,"band_gap":1.8345,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0010312,"is_theoretical":true,"updated_at":"2021-11-28T01:35:00.476000Z","spacegroup":123},{"id":"mp-758535","created_at":"2022-09-04T14:40:53.070741Z","structure_string":"Li4 Fe4 P8 O28\n1.0\n8.050714 0.000000 0.000000\n0.000000 5.099280 0.000000\n0.000000 4.769017 13.396324\nLi Fe P O\n4 4 8 28\ndirect\n0.779437 0.043694 0.746591 Li\n0.279437 0.956306 0.753409 Li\n0.720563 0.043694 0.246591 Li\n0.220563 0.956306 0.253409 Li\n0.847866 0.689360 0.116812 Fe\n0.347866 0.310640 0.383188 Fe\n0.652134 0.689360 0.616812 Fe\n0.152134 0.310640 0.883188 Fe\n0.706856 0.322490 0.476002 P\n0.466453 0.565544 0.178902 P\n0.966453 0.434456 0.321098 P\n0.206856 0.677510 0.023998 P\n0.793144 0.322490 0.976002 P\n0.033547 0.565544 0.678902 P\n0.533547 0.434456 0.821098 P\n0.293144 0.677510 0.523998 P\n0.542784 0.201772 0.777570 O\n0.863625 0.689327 0.258761 O\n0.327950 0.401119 0.507577 O\n0.090922 0.729032 0.101499 O\n0.142107 0.531062 0.336834 O\n0.891616 0.329879 0.434020 O\n0.210104 0.921050 0.924130 O\n0.391616 0.670121 0.065980 O\n0.710104 0.078950 0.575870 O\n0.642107 0.468938 0.163166 O\n0.590922 0.270968 0.398501 O\n0.363625 0.310673 0.241239 O\n0.827950 0.598881 0.992423 O\n0.042784 0.798228 0.722430 O\n0.957216 0.201772 0.277570 O\n0.172050 0.401119 0.007577 O\n0.636375 0.689327 0.758761 O\n0.409078 0.729032 0.601499 O\n0.357893 0.531062 0.836834 O\n0.289896 0.921050 0.424130 O\n0.608384 0.329879 0.934020 O\n0.789896 0.078950 0.075870 O\n0.108384 0.670121 0.565980 O\n0.857893 0.468938 0.663166 O\n0.909078 0.270968 0.898501 O\n0.672050 0.598881 0.492423 O\n0.136375 0.310673 0.741239 O\n0.457216 0.798228 0.222430 O\n","nsites":44,"nelements":4,"elements":["Li","Fe","P","O"],"chemical_system":"Fe-Li-O-P","density":2.8591190928792747,"density_atomic":0.08000622430772435,"volume":549.9572112135273,"volume_molar":7.5270903134202545,"formula_full":"Li4 Fe4 P8 O28","formula_reduced":"LiFeP2O7","formula_anonymous":"ABC2D7","energy":-332.05311903,"energy_per_atom":-7.546661796136363,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-303.79311903,"band_gap":2.1698,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":20.0012983,"is_theoretical":true,"updated_at":"2021-11-28T01:34:57.551000Z","spacegroup":14},{"id":"mp-1205315","created_at":"2022-09-04T14:40:53.071999Z","structure_string":"Li2 Bi2 O4\n1.0\n3.492407 0.000000 0.000000\n0.000000 3.492407 0.000000\n0.000000 0.000000 9.514622\nLi Bi O\n2 2 4\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.500000 Li\n0.500000 0.000000 0.814646 Bi\n0.000000 0.500000 0.185354 Bi\n0.500000 0.000000 0.596852 O\n0.000000 0.500000 0.403148 O\n0.000000 0.500000 0.828327 O\n0.500000 0.000000 0.171673 O\n","nsites":8,"nelements":3,"elements":["Li","Bi","O"],"chemical_system":"Bi-Li-O","density":7.0949569965223915,"density_atomic":0.06893642346847113,"volume":116.04895637875515,"volume_molar":8.735789379549542,"formula_full":"Li2 Bi2 O4","formula_reduced":"LiBiO2","formula_anonymous":"ABC2","energy":-45.78315015,"energy_per_atom":-5.72289376875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-43.03515015,"band_gap":0.7669999999999999,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0007772,"is_theoretical":false,"updated_at":"2021-11-28T01:34:57.508000Z","spacegroup":129},{"id":"mp-1120809","created_at":"2022-09-04T14:40:53.072785Z","structure_string":"Ti6 Zn6 Sn6 O24\n1.0\n4.656892 -8.065974 0.000000\n4.656892 8.065974 0.000000\n0.000000 0.000000 9.272463\nTi Zn Sn O\n6 6 6 24\ndirect\n0.691263 0.674355 0.926604 Ti\n0.983092 0.308737 0.926604 Ti\n0.325645 0.016908 0.926604 Ti\n0.308737 0.325645 0.426604 Ti\n0.016908 0.691263 0.426604 Ti\n0.674355 0.983092 0.426604 Ti\n0.023342 0.668244 0.049975 Zn\n0.644902 0.976658 0.049975 Zn\n0.331756 0.355098 0.049975 Zn\n0.976658 0.331756 0.549975 Zn\n0.355098 0.023342 0.549975 Zn\n0.668244 0.644902 0.549975 Zn\n0.000000 0.000000 0.670919 Sn\n0.000000 0.000000 0.170919 Sn\n0.666667 0.333333 0.831171 Sn\n0.333333 0.666667 0.331171 Sn\n0.333333 0.666667 0.795195 Sn\n0.666667 0.333333 0.295195 Sn\n0.885943 0.779737 0.033484 O\n0.893794 0.114057 0.033484 O\n0.220263 0.106206 0.033484 O\n0.114057 0.220263 0.533484 O\n0.106206 0.885943 0.533484 O\n0.779737 0.893794 0.533484 O\n0.563294 0.456485 0.986250 O\n0.893191 0.436706 0.986250 O\n0.543515 0.106809 0.986250 O\n0.436706 0.543515 0.486250 O\n0.106809 0.563294 0.486250 O\n0.456485 0.893191 0.486250 O\n0.560186 0.773243 0.924917 O\n0.213057 0.439814 0.924917 O\n0.226757 0.786943 0.924917 O\n0.439814 0.226757 0.424917 O\n0.786943 0.560186 0.424917 O\n0.773243 0.213057 0.424917 O\n0.101500 0.742329 0.247365 O\n0.640829 0.898500 0.247365 O\n0.257671 0.359171 0.247365 O\n0.898500 0.257671 0.747365 O\n0.359171 0.101500 0.747365 O\n0.742329 0.640829 0.747365 O\n","nsites":42,"nelements":4,"elements":["Ti","Zn","Sn","O"],"chemical_system":"O-Sn-Ti-Zn","density":4.233405867331294,"density_atomic":0.06029359810902504,"volume":696.5913681922598,"volume_molar":9.988026836797083,"formula_full":"Ti6 Zn6 Sn6 O24","formula_reduced":"TiZnSnO4","formula_anonymous":"ABCD4","energy":-299.70151044,"energy_per_atom":-7.135750248571428,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-283.21351044,"band_gap":2.8448,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0026531,"is_theoretical":true,"updated_at":"2021-11-28T01:35:09.427000Z","spacegroup":173},{"id":"mp-554767","created_at":"2022-09-04T14:40:53.074330Z","structure_string":"Mg8 V8 O28\n1.0\n8.531706 0.000000 0.000000\n0.000000 6.719652 0.000000\n0.000000 1.807516 9.445666\nMg V O\n8 8 28\ndirect\n0.889184 0.692099 0.181363 Mg\n0.389184 0.307901 0.318637 Mg\n0.878937 0.853055 0.463826 Mg\n0.110816 0.307901 0.818637 Mg\n0.610816 0.692099 0.681363 Mg\n0.121063 0.146945 0.536174 Mg\n0.621063 0.853055 0.963826 Mg\n0.378937 0.146945 0.036174 Mg\n0.242064 0.640533 0.530987 V\n0.742064 0.359467 0.969013 V\n0.479347 0.192279 0.685631 V\n0.257936 0.640533 0.030987 V\n0.979347 0.807721 0.814369 V\n0.520653 0.807721 0.314369 V\n0.757936 0.359467 0.469013 V\n0.020653 0.192279 0.185631 V\n0.620851 0.148683 0.002583 O\n0.141905 0.250546 0.316047 O\n0.625829 0.323690 0.347770 O\n0.923191 0.968857 0.247429 O\n0.858095 0.749454 0.683953 O\n0.132242 0.172777 0.039371 O\n0.879149 0.148683 0.502583 O\n0.576809 0.968857 0.747429 O\n0.631219 0.571749 0.898528 O\n0.129976 0.609680 0.876467 O\n0.120851 0.851317 0.497417 O\n0.641905 0.749454 0.183953 O\n0.367758 0.172777 0.539371 O\n0.870024 0.390320 0.123533 O\n0.632242 0.827223 0.460629 O\n0.379149 0.851317 0.997417 O\n0.076809 0.031143 0.752571 O\n0.370024 0.609680 0.376467 O\n0.868781 0.571749 0.398528 O\n0.125829 0.676310 0.152230 O\n0.423191 0.031143 0.252571 O\n0.374171 0.676310 0.652230 O\n0.629976 0.390320 0.623533 O\n0.131219 0.428251 0.601472 O\n0.358095 0.250546 0.816047 O\n0.867758 0.827223 0.960629 O\n0.368781 0.428251 0.101472 O\n0.874171 0.323690 0.847770 O\n","nsites":44,"nelements":3,"elements":["Mg","V","O"],"chemical_system":"Mg-O-V","density":3.219620009722407,"density_atomic":0.08125263016501072,"volume":541.5209318226775,"volume_molar":7.411625627096653,"formula_full":"Mg8 V8 O28","formula_reduced":"Mg2V2O7","formula_anonymous":"A2B2C7","energy":-341.90857600000004,"energy_per_atom":-7.770649454545455,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-309.072576,"band_gap":2.7317,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0028611,"is_theoretical":false,"updated_at":"2021-11-28T01:34:59.179000Z","spacegroup":14},{"id":"mp-1516737","created_at":"2022-09-04T14:40:53.076383Z","structure_string":"Na1 Nd1 Hf1 Ti1 O6\n1.0\n0.000000 -3.992390 -3.992390\n3.992390 0.000000 -3.992390\n3.992390 -3.992390 0.000000\nNa Nd Hf Ti O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Nd\n0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.500000 Ti\n0.743789 0.256211 0.256211 O\n0.256211 0.743789 0.743789 O\n0.743789 0.256211 0.743789 O\n0.256211 0.743789 0.256211 O\n0.743789 0.743789 0.256211 O\n0.256211 0.256211 0.743789 O\n","nsites":10,"nelements":5,"elements":["Na","Nd","Hf","Ti","O"],"chemical_system":"Hf-Na-Nd-O-Ti","density":6.387758344530512,"density_atomic":0.07857260047622215,"volume":127.27082900897783,"volume_molar":7.6644284693395575,"formula_full":"Na1 Nd1 Hf1 Ti1 O6","formula_reduced":"NaNdHfTiO6","formula_anonymous":"ABCDE6","energy":-87.94869839,"energy_per_atom":-8.794869839,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-83.82669839,"band_gap":2.2438,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:35:02.398000Z","spacegroup":216},{"id":"mp-1025143","created_at":"2022-09-04T14:40:53.262057Z","structure_string":"Dy1 B2 Rh3\n1.0\n2.721626 -4.713995 0.000000\n2.721626 4.713995 0.000000\n0.000000 0.000000 3.128198\nDy B Rh\n1 2 3\ndirect\n0.000000 0.000000 0.500000 Dy\n0.666667 0.333333 0.500000 B\n0.333333 0.666667 0.500000 B\n0.000000 0.500000 0.000000 Rh\n0.500000 0.500000 0.000000 Rh\n0.500000 0.000000 0.000000 Rh\n","nsites":6,"nelements":3,"elements":["Dy","B","Rh"],"chemical_system":"B-Dy-Rh","density":10.195579893572331,"density_atomic":0.07474970068710539,"volume":80.26787993593963,"volume_molar":8.056407858016803,"formula_full":"Dy1 B2 Rh3","formula_reduced":"DyB2Rh3","formula_anonymous":"AB2C3","energy":-44.28268164,"energy_per_atom":-7.38044694,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-44.28268164,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0007128,"is_theoretical":false,"updated_at":"2021-11-28T01:34:59.367000Z","spacegroup":191},{"id":"mp-683965","created_at":"2022-09-04T14:40:53.063472Z","structure_string":"C72 F36\n1.0\n6.832479 -10.405781 0.000000\n6.832479 10.405781 0.000000\n-9.015397 0.000000 8.584035\nC F\n72 36\ndirect\n0.884741 0.224166 0.071055 C\n0.759296 0.133362 0.251089 C\n0.777971 0.948037 0.635548 C\n0.677482 0.677838 0.896075 C\n0.286092 0.407374 0.291671 C\n0.837866 0.609822 0.811742 C\n0.521020 0.318648 0.089104 C\n0.133362 0.251089 0.759296 C\n0.407374 0.291671 0.286092 C\n0.188258 0.162134 0.390178 C\n0.801196 0.699540 0.997477 C\n0.390178 0.188258 0.162134 C\n0.364779 0.373035 0.250051 C\n0.949729 0.212452 0.900125 C\n0.900125 0.949729 0.212452 C\n0.592627 0.708329 0.713908 C\n0.699540 0.997477 0.801196 C\n0.681352 0.910896 0.478980 C\n0.671540 0.957888 0.885990 C\n0.885990 0.671540 0.957888 C\n0.322162 0.103925 0.322518 C\n0.713908 0.592626 0.708329 C\n0.957888 0.885990 0.671540 C\n0.212452 0.900125 0.949729 C\n0.114010 0.328460 0.042112 C\n0.322518 0.322162 0.103925 C\n0.291671 0.286092 0.407374 C\n0.175936 0.825669 0.089969 C\n0.002523 0.198804 0.300460 C\n0.825669 0.089969 0.175936 C\n0.626965 0.749949 0.635221 C\n0.928945 0.115259 0.775834 C\n0.635548 0.777971 0.948037 C\n0.198804 0.300460 0.002523 C\n0.071055 0.884741 0.224166 C\n0.910896 0.478980 0.681352 C\n0.250051 0.364779 0.373035 C\n0.318648 0.089104 0.521020 C\n0.896075 0.677482 0.677838 C\n0.103925 0.322518 0.322162 C\n0.099875 0.050271 0.787548 C\n0.364452 0.222029 0.051963 C\n0.775834 0.928945 0.115259 C\n0.222029 0.051963 0.364452 C\n0.787548 0.099875 0.050271 C\n0.224166 0.071055 0.884741 C\n0.478980 0.681352 0.910896 C\n0.910031 0.824064 0.174331 C\n0.373035 0.250051 0.364779 C\n0.050271 0.787548 0.099875 C\n0.251089 0.759296 0.133362 C\n0.042112 0.114010 0.328460 C\n0.811742 0.837866 0.609822 C\n0.748911 0.240704 0.866638 C\n0.174331 0.910031 0.824064 C\n0.089104 0.521020 0.318648 C\n0.328460 0.042112 0.114010 C\n0.677838 0.896075 0.677482 C\n0.300460 0.002523 0.198804 C\n0.749949 0.635221 0.626965 C\n0.997477 0.801196 0.699540 C\n0.948037 0.635548 0.777971 C\n0.051963 0.364452 0.222029 C\n0.635221 0.626965 0.749949 C\n0.115259 0.775834 0.928945 C\n0.089969 0.175936 0.825669 C\n0.824064 0.174331 0.910031 C\n0.609822 0.811742 0.837866 C\n0.240704 0.866638 0.748911 C\n0.708329 0.713908 0.592626 C\n0.162134 0.390178 0.188258 C\n0.866638 0.748911 0.240704 C\n0.496357 0.665609 0.016422 F\n0.397703 0.959847 0.855662 F\n0.282068 0.320832 0.821144 F\n0.205943 0.879399 0.638912 F\n0.983578 0.503643 0.334391 F\n0.767539 0.373680 0.535673 F\n0.503643 0.334391 0.983578 F\n0.535673 0.767539 0.373680 F\n0.585432 0.253114 0.094570 F\n0.320832 0.821144 0.282068 F\n0.232461 0.626320 0.464327 F\n0.855662 0.397703 0.959847 F\n0.665609 0.016422 0.496357 F\n0.094570 0.585432 0.253114 F\n0.959847 0.855662 0.397703 F\n0.879399 0.638912 0.205943 F\n0.120601 0.361088 0.794057 F\n0.746886 0.905430 0.414568 F\n0.040153 0.144338 0.602297 F\n0.626320 0.464327 0.232461 F\n0.253114 0.094570 0.585432 F\n0.602297 0.040153 0.144338 F\n0.361088 0.794057 0.120601 F\n0.144338 0.602297 0.040153 F\n0.178856 0.717932 0.679168 F\n0.464327 0.232461 0.626320 F\n0.638912 0.205943 0.879399 F\n0.414568 0.746886 0.905430 F\n0.794057 0.120601 0.361088 F\n0.016422 0.496357 0.665609 F\n0.821144 0.282068 0.320832 F\n0.679168 0.178856 0.717932 F\n0.334391 0.983578 0.503643 F\n0.373680 0.535673 0.767539 F\n0.717932 0.679168 0.178856 F\n0.905430 0.414568 0.746886 F\n","nsites":108,"nelements":2,"elements":["C","F"],"chemical_system":"C-F","density":2.106907917295483,"density_atomic":0.08848085142353633,"volume":1220.6030826153587,"volume_molar":6.806151458888518,"formula_full":"C72 F36","formula_reduced":"C2F","formula_anonymous":"AB2","energy":-805.14992951,"energy_per_atom":-7.455091939907407,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-788.51792951,"band_gap":2.0832,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0007557,"is_theoretical":false,"updated_at":"2021-11-28T01:34:59.381000Z","spacegroup":148},{"id":"mp-977359","created_at":"2022-09-04T14:40:53.093744Z","structure_string":"Ca1 Sn1 Au2\n1.0\n0.000000 3.550626 3.550626\n3.550626 0.000000 3.550626\n3.550626 3.550626 0.000000\nCa Sn Au\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Sn\n0.750000 0.750000 0.750000 Au\n0.250000 0.250000 0.250000 Au\n","nsites":4,"nelements":3,"elements":["Ca","Sn","Au"],"chemical_system":"Au-Ca-Sn","density":10.252042286346063,"density_atomic":0.044680210328546535,"volume":89.52509333744942,"volume_molar":13.478317840756464,"formula_full":"Ca1 Sn1 Au2","formula_reduced":"CaSnAu2","formula_anonymous":"ABC2","energy":-14.93259986,"energy_per_atom":-3.733149965,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-14.93259986,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003136,"is_theoretical":true,"updated_at":"2021-11-28T01:34:57.601000Z","spacegroup":225}]}