{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-is_stable&page=12156","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-is_stable&page=12154","results":[{"id":"mp-1194978","created_at":"2022-09-04T14:47:57.906516Z","structure_string":"Fe25 O32\n1.0\n7.639838 -13.162104 0.000000\n7.639838 13.162104 0.000000\n0.000000 0.000000 2.877133\nFe O\n25 32\ndirect\n0.002759 0.002759 0.000000 Fe\n0.204758 0.204758 0.000000 Fe\n0.998020 0.796932 0.000000 Fe\n0.796932 0.998020 0.000000 Fe\n0.391623 0.391623 0.000000 Fe\n0.998911 0.608215 0.000000 Fe\n0.608215 0.998911 0.000000 Fe\n0.001139 0.197396 0.500000 Fe\n0.197396 0.001139 0.500000 Fe\n0.807234 0.807234 0.500000 Fe\n0.183764 0.401603 0.500000 Fe\n0.211678 0.809979 0.500000 Fe\n0.597740 0.782978 0.500000 Fe\n0.401603 0.183764 0.500000 Fe\n0.809979 0.211678 0.500000 Fe\n0.782978 0.597740 0.500000 Fe\n0.385665 0.590770 0.500000 Fe\n0.206698 0.614256 0.500000 Fe\n0.409055 0.796696 0.500000 Fe\n0.590770 0.385665 0.500000 Fe\n0.614256 0.206698 0.500000 Fe\n0.796696 0.409055 0.500000 Fe\n0.001000 0.414502 0.000000 Fe\n0.414502 0.001000 0.000000 Fe\n0.587251 0.587251 0.000000 Fe\n0.104963 0.104963 0.500000 O\n0.989359 0.887682 0.500000 O\n0.887682 0.989359 0.500000 O\n0.298201 0.298201 0.500000 O\n0.003649 0.705959 0.500000 O\n0.705959 0.003649 0.500000 O\n0.487485 0.487485 0.500000 O\n0.997365 0.510863 0.500000 O\n0.510863 0.997365 0.500000 O\n0.129330 0.282952 0.000000 O\n0.154345 0.873360 0.000000 O\n0.713453 0.844008 0.000000 O\n0.282952 0.129330 0.000000 O\n0.873360 0.154345 0.000000 O\n0.844008 0.713453 0.000000 O\n0.310411 0.466303 0.000000 O\n0.154632 0.687745 0.000000 O\n0.533691 0.844968 0.000000 O\n0.466303 0.310411 0.000000 O\n0.687745 0.154632 0.000000 O\n0.844968 0.533691 0.000000 O\n0.333929 0.668293 0.000000 O\n0.668293 0.333929 0.000000 O\n0.009268 0.332876 0.500000 O\n0.332875 0.009268 0.500000 O\n0.673036 0.673036 0.500000 O\n0.154487 0.487102 0.000000 O\n0.327603 0.848016 0.000000 O\n0.515411 0.668730 0.000000 O\n0.487102 0.154487 0.000000 O\n0.848016 0.327603 0.000000 O\n0.668730 0.515411 0.000000 O\n","nsites":57,"nelements":2,"elements":["Fe","O"],"chemical_system":"Fe-O","density":5.475857621866749,"density_atomic":0.09850889648486956,"volume":578.6279415763722,"volume_molar":6.11329633656486,"formula_full":"Fe25 O32","formula_reduced":"Fe25O32","formula_anonymous":"A25B32","energy":-451.99191317,"energy_per_atom":-7.929682687192982,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-373.60791317,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":113.9989929,"is_theoretical":true,"updated_at":"2021-11-28T01:38:21.934000Z","spacegroup":38},{"id":"mp-10795","created_at":"2022-09-04T14:47:57.915543Z","structure_string":"Ta4 Tl4 S12\n1.0\n3.523493 0.000000 0.000000\n0.000000 9.427065 0.000000\n0.000000 0.000000 14.724654\nTa Tl S\n4 4 12\ndirect\n0.250000 0.159063 0.430385 Ta\n0.750000 0.840937 0.569615 Ta\n0.250000 0.659063 0.069615 Ta\n0.750000 0.340937 0.930385 Ta\n0.750000 0.016587 0.172545 Tl\n0.250000 0.983413 0.827455 Tl\n0.750000 0.516587 0.327455 Tl\n0.250000 0.483413 0.672545 Tl\n0.250000 0.022812 0.596199 S\n0.750000 0.977188 0.403801 S\n0.250000 0.522812 0.903801 S\n0.750000 0.477188 0.096199 S\n0.250000 0.248931 0.288097 S\n0.750000 0.751069 0.711903 S\n0.250000 0.748931 0.211903 S\n0.750000 0.251069 0.788097 S\n0.250000 0.193078 0.998410 S\n0.750000 0.806922 0.001590 S\n0.250000 0.693078 0.501590 S\n0.750000 0.306922 0.498410 S\n","nsites":20,"nelements":3,"elements":["Ta","Tl","S"],"chemical_system":"S-Ta-Tl","density":6.539340927594236,"density_atomic":0.040891682729701874,"volume":489.09701594336445,"volume_molar":14.727055376534524,"formula_full":"Ta4 Tl4 S12","formula_reduced":"TaTlS3","formula_anonymous":"ABC3","energy":-128.3291453,"energy_per_atom":-6.416457265,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-122.2931453,"band_gap":0.5957999999999997,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0031285,"is_theoretical":false,"updated_at":"2021-11-28T01:38:22.173000Z","spacegroup":62},{"id":"mp-1187595","created_at":"2022-09-04T14:47:59.896325Z","structure_string":"Yb1 Ni1 O3\n1.0\n3.729843 0.000000 0.000000\n0.000000 3.729843 0.000000\n0.000000 0.000000 3.729843\nYb Ni O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Yb\n0.499999 0.499999 0.499999 Ni\n0.499999 0.499999 0.000000 O\n0.499999 0.000000 0.499999 O\n0.000000 0.499999 0.499999 O\n","nsites":5,"nelements":3,"elements":["Yb","Ni","O"],"chemical_system":"Ni-O-Yb","density":8.951977304241092,"density_atomic":0.09636034581916271,"volume":51.88856429991843,"volume_molar":6.249604760968392,"formula_full":"Yb1 Ni1 O3","formula_reduced":"YbNiO3","formula_anonymous":"ABC3","energy":-31.64998808,"energy_per_atom":-6.329997616,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-27.04798808,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0075355,"is_theoretical":true,"updated_at":"2021-11-28T01:38:25.972000Z","spacegroup":221},{"id":"mp-725054","created_at":"2022-09-04T14:47:59.952942Z","structure_string":"Li2 Ti4 P6 O24\n1.0\n8.445624 0.000000 0.000000\n-4.179746 7.349355 0.000000\n-0.027822 -4.835154 7.514165\nLi Ti P O\n2 4 6 24\ndirect\n0.076213 0.107507 0.141332 Li\n0.923787 0.892493 0.858668 Li\n0.363063 0.588806 0.063460 Ti\n0.851280 0.580317 0.567625 Ti\n0.148720 0.419683 0.432375 Ti\n0.636937 0.411194 0.936540 Ti\n0.753692 0.720439 0.251611 P\n0.031136 0.293120 0.243738 P\n0.534030 0.002252 0.747765 P\n0.465970 0.997748 0.252235 P\n0.968864 0.706880 0.756262 P\n0.246308 0.279561 0.748389 P\n0.105186 0.449748 0.277468 O\n0.504394 0.133846 0.105509 O\n0.552018 0.638702 0.189291 O\n0.788621 0.068847 0.101424 O\n0.854358 0.461994 0.075062 O\n0.384188 0.230774 0.567917 O\n0.910101 0.619370 0.285133 O\n0.774419 0.570918 0.421130 O\n0.186308 0.305774 0.212234 O\n0.980303 0.960435 0.407838 O\n0.528129 0.749368 0.795919 O\n0.262687 0.848335 0.261147 O\n0.737313 0.151665 0.738853 O\n0.471871 0.250632 0.204081 O\n0.019697 0.039565 0.592162 O\n0.813692 0.694226 0.787766 O\n0.225581 0.429082 0.578870 O\n0.089899 0.380630 0.714867 O\n0.615812 0.769226 0.432083 O\n0.145642 0.538006 0.924938 O\n0.211379 0.931153 0.898576 O\n0.447982 0.361298 0.810709 O\n0.495606 0.866154 0.894491 O\n0.894814 0.550252 0.722532 O\n","nsites":36,"nelements":4,"elements":["Li","Ti","P","O"],"chemical_system":"Li-O-P-Ti","density":2.7598719763008677,"density_atomic":0.07718640340634442,"volume":466.4033872711958,"volume_molar":7.8020745807998155,"formula_full":"Li2 Ti4 P6 O24","formula_reduced":"LiTi2(PO4)3","formula_anonymous":"AB2C3D12","energy":-106.9040623,"energy_per_atom":-2.9695572861111112,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-103.0400623,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.5098337,"is_theoretical":true,"updated_at":"2021-11-28T01:38:26.651000Z","spacegroup":2},{"id":"mp-1040898","created_at":"2022-09-04T14:48:00.076270Z","structure_string":"Zn2 P8 W6 O28\n1.0\n8.225611 0.000000 0.000000\n0.000000 7.682261 0.000000\n0.000000 3.470770 9.460451\nZn P W O\n2 8 6 28\ndirect\n0.000000 0.500000 0.000000 Zn\n0.500000 0.500000 0.500000 Zn\n0.933619 0.405416 0.696677 P\n0.433619 0.594584 0.803323 P\n0.066381 0.594584 0.303323 P\n0.566381 0.405416 0.196677 P\n0.192075 0.109726 0.701634 P\n0.692075 0.890274 0.798366 P\n0.807925 0.890274 0.298366 P\n0.307925 0.109726 0.201634 P\n0.127873 0.804834 0.531900 W\n0.627873 0.195166 0.968100 W\n0.872127 0.195166 0.468100 W\n0.372127 0.804834 0.031900 W\n0.000000 0.000000 0.000000 W\n0.500000 0.000000 0.500000 W\n0.354840 0.130236 0.630363 O\n0.854840 0.869764 0.869637 O\n0.645160 0.869764 0.369637 O\n0.145160 0.130236 0.130363 O\n0.338235 0.696325 0.668675 O\n0.838235 0.303675 0.831325 O\n0.661765 0.303675 0.331325 O\n0.161765 0.696325 0.168675 O\n0.847951 0.391420 0.566819 O\n0.347951 0.608580 0.933181 O\n0.152049 0.608580 0.433181 O\n0.652049 0.391420 0.066819 O\n0.112792 0.297435 0.707164 O\n0.612792 0.702565 0.792836 O\n0.887208 0.702565 0.292836 O\n0.387208 0.297435 0.207164 O\n0.522011 0.603507 0.181372 O\n0.022011 0.396493 0.318628 O\n0.477989 0.396493 0.818628 O\n0.977989 0.603507 0.681372 O\n0.796381 0.012650 0.138151 O\n0.296381 0.987350 0.361849 O\n0.203619 0.987350 0.861849 O\n0.703619 0.012650 0.638151 O\n0.433734 0.034272 0.115452 O\n0.933734 0.965728 0.384548 O\n0.566266 0.965728 0.884548 O\n0.066266 0.034272 0.615452 O\n","nsites":44,"nelements":4,"elements":["Zn","P","W","O"],"chemical_system":"O-P-W-Zn","density":5.359871350639048,"density_atomic":0.07360098229711473,"volume":597.8181082200701,"volume_molar":8.1821472649504,"formula_full":"Zn2 P8 W6 O28","formula_reduced":"ZnP4W3O14","formula_anonymous":"AB3C4D14","energy":-350.71471503,"energy_per_atom":-7.970788977954545,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-304.85071503,"band_gap":1.4825,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":20.0002661,"is_theoretical":true,"updated_at":"2021-11-28T01:38:26.015000Z","spacegroup":14},{"id":"mp-885334","created_at":"2022-09-04T14:48:00.089475Z","structure_string":"Li4 Ti2 Mn3 V3 O16\n1.0\n2.937422 5.258880 0.000000\n-2.937422 5.258880 0.000000\n0.000000 0.510197 9.611647\nLi Ti Mn V O\n4 2 3 3 16\ndirect\n0.346136 0.346136 0.898554 Li\n0.998517 0.998517 0.991590 Li\n0.998443 0.998443 0.492203 Li\n0.665296 0.665296 0.400348 Li\n0.341164 0.341164 0.498097 Ti\n0.664630 0.664630 0.997330 Ti\n0.166962 0.166962 0.206429 Mn\n0.344111 0.840488 0.711798 Mn\n0.840488 0.344111 0.711798 Mn\n0.155972 0.652468 0.220147 V\n0.652468 0.155972 0.220147 V\n0.829772 0.829772 0.726562 V\n0.157818 0.656689 0.593442 O\n0.478334 0.478334 0.340140 O\n0.351406 0.351406 0.102665 O\n0.989067 0.989067 0.304880 O\n0.001506 0.001506 0.801882 O\n0.656689 0.157818 0.593442 O\n0.035727 0.500820 0.344228 O\n0.500820 0.035727 0.344228 O\n0.830873 0.830873 0.103315 O\n0.164480 0.164480 0.589870 O\n0.536634 0.970559 0.849660 O\n0.970559 0.536634 0.849660 O\n0.675846 0.675846 0.608900 O\n0.334072 0.817341 0.087875 O\n0.530210 0.530210 0.836559 O\n0.817341 0.334072 0.087875 O\n","nsites":28,"nelements":5,"elements":["Li","Ti","Mn","V","O"],"chemical_system":"Li-Mn-O-Ti-V","density":3.8982852124396503,"density_atomic":0.09429108194626606,"volume":296.95279152652466,"volume_molar":6.38675539159881,"formula_full":"Li4 Ti2 Mn3 V3 O16","formula_reduced":"Li4Ti2Mn3V3O16","formula_anonymous":"A2B3C3D4E16","energy":-228.53977281,"energy_per_atom":-8.162134743214285,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-207.44377281,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":15.9999653,"is_theoretical":true,"updated_at":"2021-11-28T01:38:26.722000Z","spacegroup":8},{"id":"mp-1206326","created_at":"2022-09-04T14:48:00.309487Z","structure_string":"Er2 Al2 Si2\n1.0\n2.001027 -5.109209 0.000000\n2.001027 5.109209 0.000000\n0.000000 0.000000 5.646871\nEr Al Si\n2 2 2\ndirect\n0.692648 0.307352 0.250000 Er\n0.307352 0.692648 0.750000 Er\n0.000000 0.000000 0.000000 Al\n0.000000 0.000000 0.500000 Al\n0.397415 0.602585 0.250000 Si\n0.602585 0.397415 0.750000 Si\n","nsites":6,"nelements":3,"elements":["Er","Al","Si"],"chemical_system":"Al-Er-Si","density":6.394770215358197,"density_atomic":0.0519645021616252,"volume":115.46343658480936,"volume_molar":11.588951129117593,"formula_full":"Er2 Al2 Si2","formula_reduced":"ErAlSi","formula_anonymous":"ABC","energy":-31.01041003,"energy_per_atom":-5.1684016716666665,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.15241003,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":3e-06,"is_theoretical":true,"updated_at":"2021-11-28T01:38:26.558000Z","spacegroup":63},{"id":"mp-1210964","created_at":"2022-09-04T14:48:00.337651Z","structure_string":"Lu12 Cr4 S24\n1.0\n3.703683 0.000000 0.000000\n0.000000 13.043394 0.000000\n0.000000 0.000000 15.797459\nLu Cr S\n12 4 24\ndirect\n0.000000 0.549650 0.281006 Lu\n0.000000 0.450350 0.718994 Lu\n0.500000 0.950350 0.781006 Lu\n0.500000 0.049650 0.218994 Lu\n0.000000 0.751788 0.097919 Lu\n0.000000 0.248212 0.902081 Lu\n0.500000 0.748212 0.597919 Lu\n0.500000 0.251788 0.402081 Lu\n0.000000 0.320059 0.149274 Lu\n0.000000 0.679941 0.850726 Lu\n0.500000 0.179941 0.649274 Lu\n0.500000 0.820059 0.350726 Lu\n0.000000 0.000000 0.500000 Cr\n0.500000 0.500000 0.000000 Cr\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.500000 Cr\n0.000000 0.121331 0.109128 S\n0.000000 0.878669 0.890872 S\n0.500000 0.378669 0.609128 S\n0.500000 0.621331 0.390872 S\n0.000000 0.188064 0.289037 S\n0.000000 0.811936 0.710963 S\n0.500000 0.311936 0.789037 S\n0.500000 0.688064 0.210963 S\n0.000000 0.181817 0.522629 S\n0.000000 0.818183 0.477371 S\n0.500000 0.318183 0.022629 S\n0.500000 0.681817 0.977371 S\n0.000000 0.523704 0.098791 S\n0.000000 0.476296 0.901209 S\n0.500000 0.976296 0.598791 S\n0.500000 0.023704 0.401209 S\n0.000000 0.103300 0.753950 S\n0.000000 0.896700 0.246050 S\n0.500000 0.396700 0.253950 S\n0.500000 0.603300 0.746050 S\n0.000000 0.415133 0.423157 S\n0.000000 0.584867 0.576843 S\n0.500000 0.084867 0.923157 S\n0.500000 0.915133 0.076843 S\n","nsites":40,"nelements":3,"elements":["Lu","Cr","S"],"chemical_system":"Cr-Lu-S","density":6.695544187624651,"density_atomic":0.052414124163280194,"volume":763.1530744535999,"volume_molar":11.489538089465846,"formula_full":"Lu12 Cr4 S24","formula_reduced":"Lu3CrS6","formula_anonymous":"AB3C6","energy":-271.75014867,"energy_per_atom":-6.7937537167499995,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-259.67814867,"band_gap":0.3700000000000001,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":12.0021296,"is_theoretical":true,"updated_at":"2021-11-28T01:38:31.423000Z","spacegroup":58},{"id":"mp-1224608","created_at":"2022-09-04T14:47:57.916231Z","structure_string":"H10 Pt1 C4 N2 Cl6\n1.0\n-0.021429 0.000000 7.398655\n-5.548936 4.847266 3.718479\n-5.527507 -4.847266 -3.680175\nH Pt C N Cl\n10 1 4 2 6\ndirect\n0.800486 0.927719 0.494301 H\n0.192211 0.510510 0.897759 H\n0.766096 0.505699 0.072281 H\n0.195038 0.102241 0.489490 H\n0.719390 0.996539 0.686684 H\n0.283953 0.679524 0.995422 H\n0.970755 0.313316 0.003461 H\n0.031946 0.004578 0.320476 H\n0.257135 0.021026 0.301930 H\n0.023769 0.698070 0.978974 H\n0.505786 0.494214 0.505786 Pt\n0.840395 0.896010 0.636573 C\n0.135474 0.657059 0.910946 C\n0.900169 0.363427 0.103990 C\n0.118414 0.089054 0.342941 C\n0.014333 0.758624 0.736543 N\n0.963586 0.263457 0.241376 N\n0.562860 0.670698 0.343092 Cl\n0.454532 0.316406 0.672519 Cl\n0.109533 0.656908 0.329302 Cl\n0.901581 0.327481 0.683594 Cl\n0.489553 0.707559 0.716117 Cl\n0.519005 0.283883 0.292441 Cl\n","nsites":23,"nelements":5,"elements":["H","Pt","C","N","Cl"],"chemical_system":"C-Cl-H-N-Pt","density":2.064788573611476,"density_atomic":0.057900490059306114,"volume":397.2332527141245,"volume_molar":10.400845923465694,"formula_full":"H10 Pt1 C4 N2 Cl6","formula_reduced":"H10PtC4(NCl3)2","formula_anonymous":"AB2C4D6E10","energy":-111.47018996,"energy_per_atom":-4.84652999826087,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-107.06418996,"band_gap":0.4086999999999998,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.9999572,"is_theoretical":true,"updated_at":"2021-11-28T01:38:24.551000Z","spacegroup":5},{"id":"mp-1005666","created_at":"2022-09-04T14:47:57.954423Z","structure_string":"Sc6 Al6 C4 O10\n1.0\n1.638247 -2.837528 0.000000\n1.638247 2.837528 0.000000\n0.000000 0.000000 31.811934\nSc Al C O\n6 6 4 10\ndirect\n0.333333 0.666667 0.659079 Sc\n0.666667 0.333333 0.159079 Sc\n0.666667 0.333333 0.340921 Sc\n0.333333 0.666667 0.840921 Sc\n0.000000 0.000000 0.500000 Sc\n0.000000 0.000000 0.000000 Sc\n0.000000 0.000000 0.750000 Al\n0.000000 0.000000 0.250000 Al\n0.333333 0.666667 0.431455 Al\n0.666667 0.333333 0.931455 Al\n0.666667 0.333333 0.568545 Al\n0.333333 0.666667 0.068545 Al\n0.666667 0.333333 0.454143 C\n0.333333 0.666667 0.954143 C\n0.333333 0.666667 0.545857 C\n0.666667 0.333333 0.045857 C\n0.333333 0.666667 0.373008 O\n0.666667 0.333333 0.873008 O\n0.666667 0.333333 0.626992 O\n0.333333 0.666667 0.126992 O\n0.333333 0.666667 0.750000 O\n0.666667 0.333333 0.250000 O\n0.000000 0.000000 0.809086 O\n0.000000 0.000000 0.309086 O\n0.000000 0.000000 0.190914 O\n0.000000 0.000000 0.690914 O\n","nsites":26,"nelements":4,"elements":["Sc","Al","C","O"],"chemical_system":"Al-C-O-Sc","density":3.591366328901125,"density_atomic":0.08790908150907031,"volume":295.7601143553907,"volume_molar":6.850419384007153,"formula_full":"Sc6 Al6 C4 O10","formula_reduced":"Sc3Al3C2O5","formula_anonymous":"A2B3C3D5","energy":-213.54890787,"energy_per_atom":-8.213419533461538,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-206.67890787,"band_gap":0.4127,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0504546,"is_theoretical":true,"updated_at":"2021-11-28T01:38:22.004000Z","spacegroup":194},{"id":"mp-28804","created_at":"2022-09-04T14:47:57.958418Z","structure_string":"Tc8 O16 F24\n1.0\n8.071793 0.000000 0.000000\n0.693163 8.082664 0.000000\n0.056827 0.269480 11.965216\nTc O F\n8 16 24\ndirect\n0.468595 0.273591 0.585333 Tc\n0.531405 0.726409 0.414667 Tc\n0.086276 0.248728 0.370085 Tc\n0.913724 0.751272 0.629915 Tc\n0.446293 0.247459 0.121111 Tc\n0.553707 0.752541 0.878889 Tc\n0.049950 0.215155 0.905639 Tc\n0.950050 0.784845 0.094361 Tc\n0.405664 0.783665 0.978068 O\n0.019791 0.220041 0.502660 O\n0.576006 0.335246 0.695470 O\n0.980209 0.779959 0.497340 O\n0.908494 0.261164 0.295571 O\n0.091506 0.738836 0.704429 O\n0.582124 0.915789 0.372840 O\n0.133240 0.786486 0.161380 O\n0.866760 0.213514 0.838620 O\n0.866780 0.619177 0.152766 O\n0.133220 0.380823 0.847234 O\n0.552730 0.315243 0.229538 O\n0.447270 0.684757 0.770462 O\n0.423994 0.664754 0.304530 O\n0.417876 0.084211 0.627160 O\n0.594336 0.216335 0.021932 O\n0.436929 0.028164 0.168284 F\n0.647590 0.546298 0.931214 F\n0.352410 0.453702 0.068786 F\n0.000000 0.000000 0.000000 F\n0.563071 0.971836 0.831716 F\n0.266311 0.170524 0.008289 F\n0.733689 0.829476 0.991711 F\n0.775020 0.725122 0.778490 F\n0.224980 0.274878 0.221510 F\n0.968912 0.314403 0.036279 F\n0.265413 0.391084 0.619426 F\n0.843714 0.973063 0.655772 F\n0.156286 0.026937 0.344228 F\n0.888698 0.524691 0.625482 F\n0.111302 0.475309 0.374518 F\n0.031088 0.685597 0.963721 F\n0.170728 0.052630 0.822497 F\n0.829272 0.947370 0.177503 F\n0.500000 0.500000 0.500000 F\n0.663833 0.757165 0.566923 F\n0.336167 0.242835 0.433077 F\n0.734587 0.608916 0.380574 F\n0.646634 0.208089 0.492334 F\n0.353366 0.791911 0.507666 F\n","nsites":48,"nelements":3,"elements":["Tc","O","F"],"chemical_system":"F-O-Tc","density":3.182157668551979,"density_atomic":0.061488819181368816,"volume":780.6297248678351,"volume_molar":9.793879342904534,"formula_full":"Tc8 O16 F24","formula_reduced":"TcO2F3","formula_anonymous":"AB2C3","energy":-311.74645535,"energy_per_atom":-6.494717819791667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-289.66645535,"band_gap":2.4173,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":2.52e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:38:30.190000Z","spacegroup":2},{"id":"mp-16321","created_at":"2022-09-04T14:47:57.964174Z","structure_string":"Sr2 Cu2 P2\n1.0\n2.064866 -3.576453 0.000000\n2.064866 3.576453 0.000000\n0.000000 0.000000 8.515330\nSr Cu P\n2 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.000000 0.000000 0.500000 Sr\n0.666667 0.333333 0.250000 Cu\n0.333333 0.666667 0.750000 Cu\n0.666667 0.333333 0.750000 P\n0.333333 0.666667 0.250000 P\n","nsites":6,"nelements":3,"elements":["Sr","Cu","P"],"chemical_system":"Cu-P-Sr","density":4.809589200220416,"density_atomic":0.04770626059923014,"volume":125.76965632256713,"volume_molar":12.623376228522055,"formula_full":"Sr2 Cu2 P2","formula_reduced":"SrCuP","formula_anonymous":"ABC","energy":-27.31809593,"energy_per_atom":-4.553015988333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-27.31809593,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0010547,"is_theoretical":false,"updated_at":"2021-11-28T01:38:20.659000Z","spacegroup":194}]}