{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-updated_at&page=12118","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-updated_at&page=12116","results":[{"id":"mp-754820","created_at":"2022-09-04T14:39:07.827540Z","structure_string":"Li12 Co4 P4 C4 O28\n1.0\n-0.002101 0.003180 6.383578\n8.591695 0.031373 -0.002712\n0.832084 9.784815 0.004672\nLi Co P C O\n12 4 4 4 28\ndirect\n0.264028 0.109198 0.388696 Li\n0.266285 0.107106 0.888751 Li\n0.768089 0.891582 0.110164 Li\n0.765001 0.891865 0.612513 Li\n0.478908 0.283254 0.121368 Li\n0.478975 0.283608 0.621397 Li\n0.989599 0.716236 0.377231 Li\n0.980354 0.716188 0.878469 Li\n0.741422 0.358156 0.390621 Li\n0.741547 0.356725 0.889702 Li\n0.242221 0.643739 0.112333 Li\n0.241451 0.642736 0.608237 Li\n0.995682 0.267614 0.627673 Co\n0.495143 0.733097 0.872129 Co\n0.996308 0.267618 0.127850 Co\n0.503360 0.740035 0.370474 Co\n0.249700 0.408687 0.362043 P\n0.247604 0.408560 0.861974 P\n0.746771 0.590883 0.138136 P\n0.745712 0.591585 0.637451 P\n0.762309 0.041518 0.351918 C\n0.763092 0.040939 0.851964 C\n0.258621 0.957208 0.149373 C\n0.263531 0.959692 0.647877 C\n0.760647 0.064753 0.478088 O\n0.759983 0.065892 0.978096 O\n0.259346 0.933618 0.022877 O\n0.262485 0.935629 0.521491 O\n0.243699 0.100793 0.187687 O\n0.244808 0.102871 0.686420 O\n0.741266 0.897775 0.313061 O\n0.744982 0.897368 0.814144 O\n0.780476 0.155792 0.257009 O\n0.779669 0.155764 0.756755 O\n0.268152 0.840866 0.244040 O\n0.278538 0.844323 0.742733 O\n0.055577 0.317261 0.424867 O\n0.054941 0.316056 0.924920 O\n0.555010 0.684913 0.075839 O\n0.553253 0.684540 0.575806 O\n0.440518 0.309185 0.412000 O\n0.439863 0.310983 0.912262 O\n0.939758 0.687796 0.087940 O\n0.938571 0.688618 0.586131 O\n0.746691 0.421083 0.095727 O\n0.746325 0.421250 0.596116 O\n0.253299 0.578107 0.403970 O\n0.247977 0.578505 0.903955 O\n0.231059 0.414539 0.202321 O\n0.229661 0.415133 0.702382 O\n0.728205 0.583517 0.297745 O\n0.729522 0.585241 0.797273 O\n","nsites":52,"nelements":5,"elements":["Li","Co","P","C","O"],"chemical_system":"C-Co-Li-O-P","density":2.906223616572278,"density_atomic":0.09692654608230523,"volume":536.4887340135299,"volume_molar":6.213097446891687,"formula_full":"Li12 Co4 P4 C4 O28","formula_reduced":"Li3CoPCO7","formula_anonymous":"ABCD3E7","energy":-366.53949181,"energy_per_atom":-7.048836380961538,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-340.75149181,"band_gap":2.8354,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":11.999763,"is_theoretical":true,"updated_at":"2021-11-28T01:34:24.708000Z","spacegroup":4},{"id":"mp-1208323","created_at":"2022-09-04T14:39:38.990074Z","structure_string":"Ti10 Cu2 Bi6\n1.0\n4.194949 -7.265865 0.000000\n4.194949 7.265865 0.000000\n0.000000 0.000000 5.595592\nTi Cu Bi\n10 2 6\ndirect\n0.267050 0.000000 0.750000 Ti\n0.732950 0.000000 0.250000 Ti\n0.000000 0.267050 0.750000 Ti\n0.000000 0.732950 0.250000 Ti\n0.732950 0.732950 0.750000 Ti\n0.267050 0.267050 0.250000 Ti\n0.333333 0.666667 0.500000 Ti\n0.666667 0.333333 0.500000 Ti\n0.666667 0.333333 0.000000 Ti\n0.333333 0.666667 0.000000 Ti\n0.000000 0.000000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.619112 0.000000 0.750000 Bi\n0.380888 0.000000 0.250000 Bi\n0.000000 0.619112 0.750000 Bi\n0.000000 0.380888 0.250000 Bi\n0.380888 0.380888 0.750000 Bi\n0.619112 0.619112 0.250000 Bi\n","nsites":18,"nelements":3,"elements":["Ti","Cu","Bi"],"chemical_system":"Bi-Cu-Ti","density":9.052925745504735,"density_atomic":0.052769436816294486,"volume":341.10653980756234,"volume_molar":11.412175538209354,"formula_full":"Ti10 Cu2 Bi6","formula_reduced":"Ti5CuBi3","formula_anonymous":"AB3C5","energy":-113.46583567,"energy_per_atom":-6.3036575372222226,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-113.46583567,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.005825,"is_theoretical":true,"updated_at":"2021-11-28T01:34:24.704000Z","spacegroup":193},{"id":"mp-777153","created_at":"2022-09-04T14:39:05.580696Z","structure_string":"Li4 Fe4 Ni2 O12\n1.0\n2.523948 -4.373081 0.000000\n2.523948 4.373081 0.000000\n0.000000 0.000000 10.158643\nLi Fe Ni O\n4 4 2 12\ndirect\n0.158804 0.658804 0.250000 Li\n0.341196 0.841196 0.750000 Li\n0.658804 0.158804 0.250000 Li\n0.841196 0.341196 0.750000 Li\n0.335770 0.664230 0.000000 Fe\n0.164230 0.835770 0.500000 Fe\n0.835770 0.164230 0.500000 Fe\n0.664230 0.335770 0.000000 Fe\n0.500000 0.500000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.144331 0.507392 0.604562 O\n0.855669 0.492608 0.395438 O\n0.007392 0.644331 0.895438 O\n0.355669 0.992608 0.104562 O\n0.648643 0.648643 0.098099 O\n0.851357 0.851357 0.598099 O\n0.148643 0.148643 0.401901 O\n0.492608 0.855669 0.395438 O\n0.351357 0.351357 0.901901 O\n0.644331 0.007392 0.895438 O\n0.992608 0.355669 0.104562 O\n0.507392 0.144331 0.604562 O\n","nsites":22,"nelements":4,"elements":["Li","Fe","Ni","O"],"chemical_system":"Fe-Li-Ni-O","density":4.150585660918032,"density_atomic":0.09810453013802198,"volume":224.2506025873473,"volume_molar":6.138494064981026,"formula_full":"Li4 Fe4 Ni2 O12","formula_reduced":"Li2Fe2NiO6","formula_anonymous":"AB2C2D6","energy":-146.0560587,"energy_per_atom":-6.638911759090909,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-123.7060587,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":19.999942,"is_theoretical":true,"updated_at":"2021-11-28T01:34:24.703000Z","spacegroup":64},{"id":"mp-1197739","created_at":"2022-09-04T14:39:37.490516Z","structure_string":"Zn4 H56 S4 O44\n1.0\n0.000000 0.000000 6.824641\n11.884543 0.000000 0.000000\n0.000000 12.230485 0.000000\nZn H S O\n4 56 4 44\ndirect\n0.459675 0.577561 0.606536 Zn\n0.959675 0.922439 0.393464 Zn\n0.540325 0.077561 0.893464 Zn\n0.040325 0.422439 0.106536 Zn\n0.400536 0.764219 0.724306 H\n0.900536 0.735781 0.275694 H\n0.599464 0.264219 0.775694 H\n0.099464 0.235781 0.224306 H\n0.631638 0.763683 0.697194 H\n0.131638 0.736317 0.302806 H\n0.368362 0.263683 0.802806 H\n0.868362 0.236317 0.197194 H\n0.190935 0.578414 0.770552 H\n0.690935 0.921586 0.229448 H\n0.809065 0.078414 0.729448 H\n0.309065 0.421586 0.270552 H\n0.244737 0.450801 0.754468 H\n0.744737 0.049199 0.245532 H\n0.755263 0.950801 0.745532 H\n0.255263 0.549199 0.254468 H\n0.802845 0.574116 0.727843 H\n0.302845 0.925884 0.272157 H\n0.197155 0.074116 0.772157 H\n0.697155 0.425884 0.227844 H\n0.753241 0.448122 0.687638 H\n0.253241 0.051878 0.312362 H\n0.246759 0.948122 0.812362 H\n0.746759 0.551878 0.187638 H\n0.296181 0.374550 0.558112 H\n0.796181 0.125450 0.441888 H\n0.703819 0.874550 0.941888 H\n0.203819 0.625450 0.058112 H\n0.467632 0.391793 0.472564 H\n0.967632 0.108207 0.527436 H\n0.532368 0.891793 0.027436 H\n0.032368 0.608207 0.972564 H\n0.535748 0.634045 0.396452 H\n0.035748 0.865955 0.603548 H\n0.464252 0.134045 0.103548 H\n0.964252 0.365955 0.896452 H\n0.735024 0.582029 0.446326 H\n0.235024 0.917971 0.553674 H\n0.264976 0.082029 0.053674 H\n0.764976 0.417971 0.946326 H\n0.171248 0.717121 0.528618 H\n0.671248 0.782879 0.471382 H\n0.828752 0.217121 0.971382 H\n0.328752 0.282879 0.028618 H\n0.100560 0.590223 0.499965 H\n0.600560 0.909777 0.500035 H\n0.899440 0.090223 0.000035 H\n0.399440 0.409777 0.999965 H\n0.545300 0.572599 0.987339 H\n0.045300 0.927401 0.012661 H\n0.454700 0.072599 0.512661 H\n0.954700 0.427401 0.487339 H\n0.496013 0.521547 0.871038 H\n0.996013 0.978453 0.128962 H\n0.503987 0.021547 0.628962 H\n0.003987 0.478453 0.371038 H\n0.006565 0.276148 0.684137 S\n0.506565 0.223852 0.315863 S\n0.993435 0.776148 0.815863 S\n0.493435 0.723852 0.184137 S\n0.071498 0.321748 0.577227 O\n0.571498 0.178252 0.422773 O\n0.928502 0.821748 0.922773 O\n0.428502 0.678252 0.077227 O\n0.016668 0.150037 0.682478 O\n0.516668 0.349963 0.317522 O\n0.983332 0.650037 0.817522 O\n0.483332 0.849963 0.182478 O\n0.802065 0.312316 0.707161 O\n0.302065 0.187685 0.292839 O\n0.197935 0.812315 0.792839 O\n0.697935 0.687685 0.207161 O\n0.137805 0.320068 0.773969 O\n0.637805 0.179932 0.226031 O\n0.862195 0.820068 0.726031 O\n0.362195 0.679932 0.273969 O\n0.500872 0.739862 0.670760 O\n0.000872 0.760138 0.329240 O\n0.499128 0.239862 0.829240 O\n0.999128 0.260138 0.170760 O\n0.303427 0.527706 0.753913 O\n0.803427 0.972294 0.246087 O\n0.696573 0.027706 0.746087 O\n0.196573 0.472294 0.253913 O\n0.727069 0.529639 0.674648 O\n0.227069 0.970361 0.325352 O\n0.272931 0.029639 0.825352 O\n0.772931 0.470361 0.174648 O\n0.425243 0.412459 0.546629 O\n0.925243 0.087541 0.453371 O\n0.574757 0.912459 0.953371 O\n0.074757 0.587541 0.046629 O\n0.619640 0.631688 0.461765 O\n0.119640 0.868312 0.538235 O\n0.380360 0.131688 0.038235 O\n0.880360 0.368312 0.961765 O\n0.204619 0.636479 0.534728 O\n0.704619 0.863521 0.465272 O\n0.795381 0.136479 0.965272 O\n0.295381 0.363521 0.034728 O\n0.562696 0.505138 0.940907 O\n0.062696 0.994862 0.059093 O\n0.437304 0.005138 0.559093 O\n0.937304 0.494862 0.440907 O\n","nsites":108,"nelements":4,"elements":["Zn","H","S","O"],"chemical_system":"H-O-S-Zn","density":1.9255713561293535,"density_atomic":0.10887239554963518,"volume":991.9869904099111,"volume_molar":5.531375266978939,"formula_full":"Zn4 H56 S4 O44","formula_reduced":"ZnH14SO11","formula_anonymous":"ABC11D14","energy":-581.6076087199999,"energy_per_atom":-5.385255636296296,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-551.37960872,"band_gap":5.201,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0004631,"is_theoretical":false,"updated_at":"2021-11-28T01:34:24.702000Z","spacegroup":19},{"id":"mp-648448","created_at":"2022-09-04T14:39:36.101898Z","structure_string":"Eu8 Ge4 O20\n1.0\n7.274375 0.000000 0.000000\n0.000000 7.002080 0.000000\n0.000000 2.557535 9.126092\nEu Ge O\n8 4 20\ndirect\n0.628882 0.264781 0.518870 Eu\n0.864800 0.948180 0.870441 Eu\n0.871118 0.764781 0.518870 Eu\n0.128882 0.235219 0.481130 Eu\n0.135200 0.051820 0.129559 Eu\n0.635200 0.448180 0.870441 Eu\n0.371118 0.735219 0.481130 Eu\n0.364800 0.551820 0.129559 Eu\n0.589223 0.023109 0.198714 Ge\n0.089223 0.476891 0.801286 Ge\n0.410777 0.976891 0.801286 Ge\n0.910777 0.523109 0.198714 Ge\n0.634644 0.994279 0.390345 O\n0.054657 0.723522 0.108701 O\n0.207104 0.004458 0.890259 O\n0.417186 0.831340 0.216015 O\n0.582814 0.168660 0.783985 O\n0.707104 0.495542 0.109741 O\n0.292896 0.504458 0.890259 O\n0.445343 0.223522 0.108701 O\n0.792896 0.995542 0.109741 O\n0.383351 0.430913 0.392187 O\n0.865356 0.494279 0.390345 O\n0.082814 0.331340 0.216015 O\n0.554657 0.776478 0.891299 O\n0.917186 0.668660 0.783985 O\n0.883351 0.069087 0.607813 O\n0.134644 0.505721 0.609655 O\n0.945343 0.276478 0.891299 O\n0.116649 0.930913 0.392187 O\n0.616649 0.569087 0.607813 O\n0.365356 0.005721 0.609655 O\n","nsites":32,"nelements":3,"elements":["Eu","Ge","O"],"chemical_system":"Eu-Ge-O","density":6.523852119107015,"density_atomic":0.06884024096856074,"volume":464.8443926077244,"volume_molar":8.747994886813812,"formula_full":"Eu8 Ge4 O20","formula_reduced":"Eu2GeO5","formula_anonymous":"AB2C5","energy":-290.05171428,"energy_per_atom":-9.06411607125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-276.31171428,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":48.0000002,"is_theoretical":false,"updated_at":"2021-11-28T01:34:24.702000Z","spacegroup":14},{"id":"mp-1032644","created_at":"2022-09-04T14:39:26.607745Z","structure_string":"Mg6 Zn1 Ni1 O8\n1.0\n8.517571 0.000000 0.000000\n0.000000 4.263330 0.000000\n0.000000 0.000000 4.263330\nMg Zn Ni O\n6 1 1 8\ndirect\n0.500000 0.000000 -0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.248339 -0.000000 0.500000 Mg\n0.751661 0.000000 0.500000 Mg\n0.248339 0.500000 -0.000000 Mg\n0.751661 0.500000 0.000000 Mg\n-0.000000 0.000000 -0.000000 Zn\n-0.000000 0.500000 0.500000 Ni\n0.252827 -0.000000 0.000000 O\n0.747173 0.000000 -0.000000 O\n0.249936 0.500000 0.500000 O\n0.750064 0.500000 0.500000 O\n-0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n-0.000000 0.500000 -0.000000 O\n0.500000 0.500000 -0.000000 O\n","nsites":16,"nelements":4,"elements":["Mg","Zn","Ni","O"],"chemical_system":"Mg-Ni-O-Zn","density":4.2681482639193735,"density_atomic":0.10334900977466108,"volume":154.81522304747665,"volume_molar":5.826994156141879,"formula_full":"Mg6 Zn1 Ni1 O8","formula_reduced":"Mg6ZnNiO8","formula_anonymous":"ABC6D8","energy":-98.37662049,"energy_per_atom":-6.148538780625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-90.33962049,"band_gap":2.9705000000000004,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":1.9999987,"is_theoretical":true,"updated_at":"2021-11-28T01:34:24.700000Z","spacegroup":123},{"id":"mp-1188346","created_at":"2022-09-04T14:39:25.065098Z","structure_string":"Co4 Bi4 O12\n1.0\n5.365408 0.000000 0.000000\n0.000000 5.508628 0.000000\n0.000000 0.000000 7.629159\nCo Bi O\n4 4 12\ndirect\n0.500000 0.000000 0.000000 Co\n0.000000 0.500000 0.500000 Co\n0.500000 0.000000 0.500000 Co\n0.000000 0.500000 0.000000 Co\n0.510076 0.554031 0.250000 Bi\n0.989924 0.054031 0.250000 Bi\n0.489924 0.445969 0.750000 Bi\n0.010076 0.945969 0.750000 Bi\n0.416697 0.976521 0.250000 O\n0.083303 0.476521 0.250000 O\n0.583303 0.023479 0.750000 O\n0.916697 0.523479 0.750000 O\n0.795492 0.792982 0.041582 O\n0.704508 0.292982 0.458418 O\n0.204508 0.207018 0.541582 O\n0.295492 0.707018 0.958418 O\n0.204508 0.207018 0.958418 O\n0.295492 0.707018 0.541582 O\n0.795492 0.792982 0.458418 O\n0.704508 0.292982 0.041582 O\n","nsites":20,"nelements":3,"elements":["Co","Bi","O"],"chemical_system":"Bi-Co-O","density":9.305764679617505,"density_atomic":0.08869663255127806,"volume":225.4877037010106,"volume_molar":6.789593456683295,"formula_full":"Co4 Bi4 O12","formula_reduced":"CoBiO3","formula_anonymous":"ABC3","energy":-131.00301454,"energy_per_atom":-6.550150727,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-116.20701454,"band_gap":0.3878000000000003,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":8.0020524,"is_theoretical":false,"updated_at":"2021-11-28T01:34:24.698000Z","spacegroup":62},{"id":"mp-728691","created_at":"2022-09-04T14:39:16.686410Z","structure_string":"Cr2 H40 S4 N4 O28\n1.0\n12.898387 0.000000 0.000000\n0.000000 6.136122 0.000000\n0.000000 2.811003 9.119482\nCr H S N O\n2 40 4 4 28\ndirect\n0.500000 0.000000 0.500000 Cr\n0.000000 0.000000 0.000000 Cr\n0.153776 0.769472 0.543324 H\n0.653776 0.230528 0.956676 H\n0.846224 0.230528 0.456676 H\n0.346224 0.769472 0.043324 H\n0.193699 0.578677 0.705194 H\n0.693699 0.421323 0.794806 H\n0.806301 0.421323 0.294806 H\n0.306301 0.578677 0.205194 H\n0.123307 0.487237 0.583621 H\n0.623307 0.512763 0.916379 H\n0.876693 0.512763 0.416379 H\n0.376693 0.487237 0.083621 H\n0.066856 0.649132 0.677090 H\n0.566856 0.350868 0.822910 H\n0.933144 0.350868 0.322910 H\n0.433144 0.649132 0.177090 H\n0.406776 0.662700 0.706948 H\n0.906776 0.337300 0.793052 H\n0.593224 0.337300 0.293052 H\n0.093224 0.662700 0.206948 H\n0.374804 0.897173 0.740424 H\n0.874804 0.102827 0.759576 H\n0.625196 0.102827 0.259576 H\n0.125196 0.897173 0.240424 H\n0.393000 0.046521 0.214359 H\n0.893000 0.953479 0.285641 H\n0.607000 0.953479 0.785641 H\n0.107000 0.046521 0.714359 H\n0.309326 0.973248 0.339326 H\n0.809326 0.026752 0.160674 H\n0.690674 0.026752 0.660674 H\n0.190674 0.973248 0.839326 H\n0.568876 0.658195 0.413123 H\n0.068876 0.341805 0.086877 H\n0.431124 0.341805 0.586877 H\n0.931124 0.658195 0.913123 H\n0.644991 0.675351 0.542395 H\n0.144991 0.324649 0.957605 H\n0.355009 0.324649 0.457605 H\n0.855009 0.675351 0.042395 H\n0.356951 0.251593 0.888929 S\n0.856951 0.748407 0.611071 S\n0.643049 0.748407 0.111071 S\n0.143049 0.251593 0.388929 S\n0.135486 0.622538 0.627049 N\n0.635486 0.377462 0.872951 N\n0.864514 0.377462 0.372951 N\n0.364514 0.622538 0.127049 N\n0.262860 0.397461 0.877975 O\n0.762860 0.602539 0.622025 O\n0.737140 0.602539 0.122025 O\n0.237140 0.397461 0.377975 O\n0.411349 0.228580 0.029647 O\n0.911349 0.771420 0.470353 O\n0.588651 0.771420 0.970353 O\n0.088651 0.228580 0.529647 O\n0.428564 0.367252 0.764462 O\n0.928564 0.632748 0.735538 O\n0.571436 0.632748 0.235538 O\n0.071436 0.367252 0.264462 O\n0.327418 0.020926 0.877017 O\n0.827418 0.979074 0.622983 O\n0.672582 0.979074 0.122983 O\n0.172582 0.020926 0.377017 O\n0.394239 0.828341 0.662298 O\n0.894239 0.171659 0.837702 O\n0.605761 0.171659 0.337702 O\n0.105761 0.828341 0.162298 O\n0.382226 0.949489 0.316117 O\n0.882226 0.050511 0.183883 O\n0.617774 0.050511 0.683883 O\n0.117774 0.949489 0.816117 O\n0.571916 0.694819 0.507681 O\n0.071916 0.305181 0.992319 O\n0.428084 0.305181 0.492319 O\n0.928084 0.694819 0.007681 O\n","nsites":78,"nelements":5,"elements":["Cr","H","S","N","O"],"chemical_system":"Cr-H-N-O-S","density":1.7866341366790905,"density_atomic":0.10806748467972253,"volume":721.7712175976618,"volume_molar":5.572574190884242,"formula_full":"Cr2 H40 S4 N4 O28","formula_reduced":"CrH20S2(NO7)2","formula_anonymous":"AB2C2D14E20","energy":-446.0239162,"energy_per_atom":-5.718255335897435,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-421.3459161999999,"band_gap":2.7076,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":7.9990149,"is_theoretical":false,"updated_at":"2021-11-28T01:34:24.697000Z","spacegroup":14},{"id":"mp-1223407","created_at":"2022-09-04T14:39:39.581858Z","structure_string":"K1 Nb4 Ag1 P2 S20\n1.0\n7.243795 0.000000 0.000000\n0.173952 7.393288 0.000000\n3.089719 0.024231 12.714076\nK Nb Ag P S\n1 4 1 2 20\ndirect\n0.570717 0.500095 0.418475 K\n0.002255 0.067056 0.894086 Nb\n0.997937 0.933650 0.104894 Nb\n0.001117 0.067044 0.605845 Nb\n0.998563 0.933145 0.395777 Nb\n0.502270 0.500055 0.999083 Ag\n0.792007 0.387944 0.776442 P\n0.205583 0.614160 0.222854 P\n0.251533 0.106874 0.716584 S\n0.747581 0.894862 0.282693 S\n0.744730 0.108535 0.782861 S\n0.255603 0.891487 0.217324 S\n0.719472 0.083462 0.049495 S\n0.280944 0.916139 0.950214 S\n0.126426 0.857964 0.734068 S\n0.874106 0.142584 0.266796 S\n0.784753 0.827704 0.991120 S\n0.215830 0.171933 0.008330 S\n0.555138 0.544536 0.807395 S\n0.443091 0.455754 0.192011 S\n0.954849 0.415363 0.884332 S\n0.043842 0.583448 0.115589 S\n0.777313 0.829897 0.566418 S\n0.221801 0.168205 0.434292 S\n0.722498 0.087405 0.521602 S\n0.277026 0.911467 0.480434 S\n0.947243 0.417364 0.623685 S\n0.054373 0.581670 0.376999 S\n","nsites":28,"nelements":5,"elements":["K","Nb","Ag","P","S"],"chemical_system":"Ag-K-Nb-P-S","density":2.9797147830170765,"density_atomic":0.04112154778296484,"volume":680.9082223213247,"volume_molar":14.644732712358541,"formula_full":"K1 Nb4 Ag1 P2 S20","formula_reduced":"KNb4Ag(PS10)2","formula_anonymous":"ABC2D4E20","energy":-165.58766815,"energy_per_atom":-5.913845291071429,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-155.52766815,"band_gap":1.3531999999999995,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.003299,"is_theoretical":true,"updated_at":"2021-11-28T01:34:24.697000Z","spacegroup":1},{"id":"mp-1211354","created_at":"2022-09-04T14:39:37.505046Z","structure_string":"La6 Al3 Ni4 Sn1 Ru1\n1.0\n4.795697 -8.306391 0.000000\n4.795697 8.306391 0.000000\n0.000000 0.000000 4.274036\nLa Al Ni Sn Ru\n6 3 4 1 1\ndirect\n0.681192 0.840596 0.000000 La\n0.159404 0.840596 0.000000 La\n0.159404 0.318808 0.000000 La\n0.413953 0.206976 0.500000 La\n0.793024 0.206976 0.500000 La\n0.793024 0.586047 0.500000 La\n0.141885 0.570943 0.500000 Al\n0.429057 0.570943 0.500000 Al\n0.429057 0.858115 0.500000 Al\n0.333333 0.666667 0.000000 Ni\n0.978525 0.489262 0.000000 Ni\n0.510738 0.489262 0.000000 Ni\n0.510738 0.021475 0.000000 Ni\n0.000000 0.000000 0.500000 Sn\n0.666667 0.333333 0.000000 Ru\n","nsites":15,"nelements":5,"elements":["La","Al","Ni","Sn","Ru"],"chemical_system":"Al-La-Ni-Ru-Sn","density":6.675724251610626,"density_atomic":0.04405132553870087,"volume":340.51188736243347,"volume_molar":13.670736774332264,"formula_full":"La6 Al3 Ni4 Sn1 Ru1","formula_reduced":"La6Al3Ni4SnRu","formula_anonymous":"ABC3D4E6","energy":-85.05663484,"energy_per_atom":-5.670442322666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-85.05663484,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0347417,"is_theoretical":true,"updated_at":"2021-11-28T01:34:24.695000Z","spacegroup":187},{"id":"mp-1223620","created_at":"2022-09-04T14:39:20.185000Z","structure_string":"La12 Ge5 S28\n1.0\n-10.365284 0.000000 0.000000\n-0.000915 -11.768675 0.000000\n5.180945 5.883644 8.970108\nLa Ge S\n12 5 28\ndirect\n0.637065 0.060411 0.871403 La\n0.653731 0.578196 0.877929 La\n0.223216 0.812206 0.345761 La\n0.235762 0.306316 0.364058 La\n0.126321 0.005928 0.762879 La\n0.123691 0.528270 0.777804 La\n0.344776 0.934782 0.121345 La\n0.365699 0.454257 0.130756 La\n0.766265 0.205651 0.633433 La\n0.776139 0.701830 0.655773 La\n0.878772 0.986427 0.224209 La\n0.868381 0.505477 0.233590 La\n0.667378 0.340308 0.334764 Ge\n0.666165 0.840463 0.332207 Ge\n0.335052 0.754713 0.666587 Ge\n0.331499 0.255393 0.666731 Ge\n0.000224 0.250086 0.000263 Ge\n0.669664 0.657328 0.340757 S\n0.663512 0.149198 0.326035 S\n0.334011 0.569124 0.668513 S\n0.332641 0.067466 0.664956 S\n0.833071 0.494478 0.740911 S\n0.847685 0.021190 0.766783 S\n0.919360 0.214032 0.152670 S\n0.907702 0.707088 0.166702 S\n0.232901 0.178111 0.080557 S\n0.258711 0.669571 0.092208 S\n0.146508 0.474322 0.229976 S\n0.168109 0.006878 0.259298 S\n0.090003 0.792326 0.831632 S\n0.083844 0.286479 0.853327 S\n0.741360 0.831450 0.909187 S\n0.769906 0.317742 0.916103 S\n0.893496 0.487441 0.477580 S\n0.893009 0.989031 0.479873 S\n0.586029 0.301090 0.106742 S\n0.585385 0.803784 0.107104 S\n0.519823 0.455731 0.412525 S\n0.522657 0.956367 0.416251 S\n0.110344 0.754235 0.514008 S\n0.104126 0.261468 0.526233 S\n0.411351 0.944175 0.893827 S\n0.415112 0.444317 0.892376 S\n0.474197 0.787727 0.578674 S\n0.485348 0.295140 0.595699 S\n","nsites":45,"nelements":3,"elements":["La","Ge","S"],"chemical_system":"Ge-La-S","density":4.443209178759922,"density_atomic":0.04112501470323275,"volume":1094.2245327990763,"volume_molar":14.643498132358388,"formula_full":"La12 Ge5 S28","formula_reduced":"La12Ge5S28","formula_anonymous":"A5B12C28","energy":-283.8219159,"energy_per_atom":-6.307153686666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-269.7379159,"band_gap":1.0033000000000003,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0032766,"is_theoretical":true,"updated_at":"2021-11-28T01:34:24.695000Z","spacegroup":1},{"id":"mp-1225154","created_at":"2022-09-04T14:39:17.226609Z","structure_string":"Fe3 Sn1\n1.0\n3.186942 0.000000 0.000000\n0.000000 3.186942 0.000000\n0.000000 0.000000 5.635828\nFe Sn\n3 1\ndirect\n0.500000 0.500000 0.214341 Fe\n0.500000 0.500000 0.785659 Fe\n0.000000 0.000000 0.000000 Fe\n0.000000 0.000000 0.500000 Sn\n","nsites":4,"nelements":2,"elements":["Fe","Sn"],"chemical_system":"Fe-Sn","density":8.303877944267631,"density_atomic":0.06988016817973484,"volume":57.24084678376596,"volume_molar":8.617810913835797,"formula_full":"Fe3 Sn1","formula_reduced":"Fe3Sn","formula_anonymous":"AB3","energy":-28.90754651,"energy_per_atom":-7.2268866275,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-28.90754651,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.45367,"is_theoretical":true,"updated_at":"2021-11-28T01:34:24.695000Z","spacegroup":123}]}