{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=is_magnetic&page=10232","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=is_magnetic&page=10230","results":[{"id":"mp-756636","created_at":"2022-09-04T14:45:21.679466Z","structure_string":"Li4 Fe4 Sn2 O12\n1.0\n2.599879 -4.472738 0.000000\n2.599879 4.472738 0.000000\n0.000000 0.000000 10.123271\nLi Fe Sn O\n4 4 2 12\ndirect\n0.660464 0.160464 0.750000 Li\n0.839536 0.339536 0.250000 Li\n0.160464 0.660464 0.750000 Li\n0.339536 0.839536 0.250000 Li\n0.836443 0.163557 0.500000 Fe\n0.663557 0.336443 0.000000 Fe\n0.336443 0.663557 0.000000 Fe\n0.163557 0.836443 0.500000 Fe\n0.000000 0.000000 0.000000 Sn\n0.500000 0.500000 0.500000 Sn\n0.651227 0.009208 0.105065 O\n0.348773 0.990792 0.894935 O\n0.509208 0.151227 0.394935 O\n0.848773 0.490792 0.605065 O\n0.154538 0.154538 0.599752 O\n0.345462 0.345462 0.099752 O\n0.654538 0.654538 0.900248 O\n0.990792 0.348773 0.894935 O\n0.845462 0.845462 0.400248 O\n0.151227 0.509208 0.394935 O\n0.490792 0.848773 0.605065 O\n0.009208 0.651227 0.105065 O\n","nsites":22,"nelements":4,"elements":["Li","Fe","Sn","O"],"chemical_system":"Fe-Li-O-Sn","density":4.799942348545304,"density_atomic":0.09344266729858693,"volume":235.4384847523792,"volume_molar":6.444744070454279,"formula_full":"Li4 Fe4 Sn2 O12","formula_reduced":"Li2Fe2SnO6","formula_anonymous":"AB2C2D6","energy":-149.75289835,"energy_per_atom":-6.8069499250000005,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-132.48489835,"band_gap":1.6914000000000002,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":20.0005135,"is_theoretical":true,"updated_at":"2021-11-28T01:37:03.579000Z","spacegroup":64},{"id":"mp-771039","created_at":"2022-09-04T14:45:17.342843Z","structure_string":"Na2 Li4 Mn2 P2 C2 O14\n1.0\n0.079249 -0.028384 5.128739\n8.706636 0.131441 0.163654\n0.100112 6.700134 -0.037093\nNa Li Mn P C O\n2 4 2 2 2 14\ndirect\n0.746158 0.088274 0.240752 Na\n0.752641 0.750563 0.499431 Na\n0.225542 0.281086 0.033534 Li\n0.229313 0.274772 0.468204 Li\n0.777003 0.716318 0.958271 Li\n0.248552 0.906693 0.789533 Li\n0.229452 0.650969 0.238650 Mn\n0.783335 0.349726 0.747814 Mn\n0.723017 0.418241 0.241121 P\n0.294092 0.582660 0.749015 P\n0.719169 0.036517 0.764309 C\n0.261671 0.958145 0.253699 C\n0.277480 0.107372 0.256206 O\n0.965193 0.066070 0.762145 O\n0.544533 0.148975 0.747739 O\n0.826215 0.321370 0.065732 O\n0.835603 0.334368 0.432854 O\n0.416487 0.419668 0.243846 O\n0.194402 0.415586 0.759779 O\n0.809904 0.586783 0.222989 O\n0.597906 0.572133 0.768093 O\n0.211444 0.669804 0.553207 O\n0.180573 0.684103 0.918911 O\n0.471656 0.870379 0.249682 O\n0.038054 0.893296 0.251689 O\n0.640604 0.896129 0.782794 O\n","nsites":26,"nelements":6,"elements":["Na","Li","Mn","P","C","O"],"chemical_system":"C-Li-Mn-Na-O-P","density":2.740949407745161,"density_atomic":0.08694959872451935,"volume":299.02380668110123,"volume_molar":6.926013286248539,"formula_full":"Na2 Li4 Mn2 P2 C2 O14","formula_reduced":"NaLi2MnPCO7","formula_anonymous":"ABCDE2F7","energy":-189.38051496,"energy_per_atom":-7.28386596,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-176.42651496,"band_gap":3.4761,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":10.0013099,"is_theoretical":true,"updated_at":"2021-11-28T01:36:57.677000Z","spacegroup":1},{"id":"mp-756973","created_at":"2022-09-04T14:45:23.385225Z","structure_string":"Li3 Mn1 Cu2 O6\n1.0\n1.441661 6.535925 0.000000\n-1.441661 6.535925 0.000000\n0.000000 1.258679 5.719812\nLi Mn Cu O\n3 1 2 6\ndirect\n0.500000 0.500000 0.500000 Li\n0.169900 0.169900 0.167176 Li\n0.830100 0.830100 0.832824 Li\n0.500000 0.500000 0.000000 Mn\n0.170772 0.170772 0.657946 Cu\n0.829228 0.829228 0.342054 Cu\n0.653934 0.653934 0.908189 O\n0.334553 0.334553 0.572213 O\n0.346066 0.346066 0.091811 O\n0.007057 0.007057 0.217700 O\n0.992943 0.992943 0.782300 O\n0.665447 0.665447 0.427787 O\n","nsites":12,"nelements":4,"elements":["Li","Mn","Cu","O"],"chemical_system":"Cu-Li-Mn-O","density":4.603833310240526,"density_atomic":0.1113266872130601,"volume":107.79086578794954,"volume_molar":5.409431386810837,"formula_full":"Li3 Mn1 Cu2 O6","formula_reduced":"Li3Mn(CuO3)2","formula_anonymous":"AB2C3D6","energy":-72.45861505,"energy_per_atom":-6.0382179208333335,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-66.66861505,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.0008204,"is_theoretical":true,"updated_at":"2021-11-28T01:37:00.777000Z","spacegroup":12},{"id":"mp-1212793","created_at":"2022-09-04T14:45:17.355072Z","structure_string":"Fe8 H16 N4 F24\n1.0\n7.266979 0.000000 0.000000\n0.000000 7.573492 0.000000\n0.000000 0.000000 10.159832\nFe H N F\n8 16 4 24\ndirect\n0.000000 0.000000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.208888 0.250000 0.266846 Fe\n0.791112 0.750000 0.733154 Fe\n0.291112 0.750000 0.766846 Fe\n0.708888 0.250000 0.233154 Fe\n0.142240 0.250000 0.627288 H\n0.857760 0.750000 0.372712 H\n0.357760 0.750000 0.127288 H\n0.642240 0.250000 0.872712 H\n0.052313 0.639159 0.336474 H\n0.947687 0.360841 0.663526 H\n0.447687 0.360841 0.836474 H\n0.947687 0.139159 0.663526 H\n0.552313 0.639159 0.163526 H\n0.052313 0.860841 0.336474 H\n0.552313 0.860841 0.163526 H\n0.447687 0.139159 0.836474 H\n0.467308 0.250000 0.981970 H\n0.532692 0.750000 0.018030 H\n0.032692 0.750000 0.481970 H\n0.967308 0.250000 0.518030 H\n0.001120 0.250000 0.618243 N\n0.998880 0.750000 0.381757 N\n0.498880 0.750000 0.118243 N\n0.501120 0.250000 0.881757 N\n0.440332 0.250000 0.155177 F\n0.559668 0.750000 0.844823 F\n0.059668 0.750000 0.655177 F\n0.940332 0.250000 0.344823 F\n0.268426 0.062208 0.416272 F\n0.731574 0.937792 0.583728 F\n0.231574 0.937792 0.916272 F\n0.731574 0.562208 0.583728 F\n0.768426 0.062208 0.083728 F\n0.268426 0.437792 0.416272 F\n0.768426 0.437792 0.083728 F\n0.231574 0.562208 0.916272 F\n0.560690 0.250000 0.535776 F\n0.439310 0.750000 0.464224 F\n0.939310 0.750000 0.035776 F\n0.060690 0.250000 0.964224 F\n0.127941 0.489085 0.168569 F\n0.872059 0.510915 0.831431 F\n0.372059 0.510915 0.668569 F\n0.872059 0.989085 0.831431 F\n0.627941 0.489085 0.331431 F\n0.127941 0.010915 0.168569 F\n0.627941 0.010915 0.331431 F\n0.372059 0.989085 0.668569 F\n","nsites":52,"nelements":4,"elements":["Fe","H","N","F"],"chemical_system":"F-Fe-H-N","density":2.8950872601118474,"density_atomic":0.09299652933317652,"volume":559.160652261557,"volume_molar":6.475661837254823,"formula_full":"Fe8 H16 N4 F24","formula_reduced":"Fe2H4NF6","formula_anonymous":"AB2C4D6","energy":-300.54574219,"energy_per_atom":-5.779725811346154,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-269.96574219,"band_gap":1.6671,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":35.9999829,"is_theoretical":true,"updated_at":"2021-11-28T01:37:06.145000Z","spacegroup":62},{"id":"mp-1211874","created_at":"2022-09-04T14:45:17.374288Z","structure_string":"K9 Gd3 Si12 O32 F2\n1.0\n6.976354 0.000000 0.000000\n1.963523 11.362362 0.000000\n0.103846 0.453413 11.594106\nK Gd Si O F\n9 3 12 32 2\ndirect\n0.765041 0.115009 0.516938 K\n0.234959 0.884991 0.483062 K\n0.669502 0.308662 0.278266 K\n0.330498 0.691338 0.721734 K\n0.332050 0.653569 0.286476 K\n0.667950 0.346431 0.713524 K\n0.000000 0.500000 0.500000 K\n0.517509 0.830488 0.010625 K\n0.482491 0.169512 0.989375 K\n0.014024 0.013462 0.165416 Gd\n0.985976 0.986538 0.834584 Gd\n0.500000 0.500000 0.000000 Gd\n0.215049 0.167090 0.381851 Si\n0.784951 0.832910 0.618149 Si\n0.188520 0.195437 0.659610 Si\n0.811480 0.804563 0.340390 Si\n0.517146 0.014916 0.243242 Si\n0.482854 0.985084 0.756758 Si\n0.157217 0.409641 0.804361 Si\n0.842783 0.590359 0.195639 Si\n0.053994 0.733318 0.010827 Si\n0.946006 0.266682 0.989173 Si\n0.161499 0.361907 0.188727 Si\n0.838501 0.638093 0.811273 Si\n0.354438 0.374022 0.117482 O\n0.645562 0.625978 0.882518 O\n0.653994 0.535042 0.168209 O\n0.346006 0.464958 0.831791 O\n0.206922 0.189757 0.519616 O\n0.793078 0.810243 0.480384 O\n0.689513 0.077453 0.189528 O\n0.310487 0.922547 0.810472 O\n0.398097 0.124205 0.711916 O\n0.601903 0.875795 0.288084 O\n0.432618 0.084646 0.362682 O\n0.567382 0.915354 0.637318 O\n0.269327 0.663140 0.038711 O\n0.730673 0.336860 0.961289 O\n0.012355 0.287294 0.125243 O\n0.987645 0.712706 0.874757 O\n0.027154 0.876150 0.017545 O\n0.972846 0.123850 0.982455 O\n0.041282 0.103047 0.341853 O\n0.958718 0.896953 0.658147 O\n0.216540 0.296669 0.316889 O\n0.783460 0.703331 0.683111 O\n0.187285 0.336105 0.683491 O\n0.812715 0.663895 0.316509 O\n0.000399 0.147378 0.710763 O\n0.999601 0.852622 0.289237 O\n0.038284 0.491320 0.224007 O\n0.961716 0.508680 0.775993 O\n0.112356 0.316182 0.907038 O\n0.887644 0.683818 0.092962 O\n0.341226 0.010159 0.154735 O\n0.658774 0.989841 0.845265 O\n0.253874 0.656822 0.504163 F\n0.746126 0.343178 0.495837 F\n","nsites":58,"nelements":5,"elements":["K","Gd","Si","O","F"],"chemical_system":"F-Gd-K-O-Si","density":3.0908141541950593,"density_atomic":0.0631093337796034,"volume":919.0399664581041,"volume_molar":9.542393175993762,"formula_full":"K9 Gd3 Si12 O32 F2","formula_reduced":"K9Gd3Si12(O16F)2","formula_anonymous":"A2B3C9D12E32","energy":-464.64026515,"energy_per_atom":-8.011039054310345,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-441.73226515,"band_gap":3.7656,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":20.9987406,"is_theoretical":true,"updated_at":"2021-11-28T01:36:56.852000Z","spacegroup":2},{"id":"mp-757950","created_at":"2022-09-04T14:45:17.376596Z","structure_string":"Cr3 Fe3 Te2 O16\n1.0\n3.013281 5.213183 0.000000\n-3.013281 5.213183 0.000000\n0.000000 0.079332 9.206750\nCr Fe Te O\n3 3 2 16\ndirect\n0.340900 0.832415 0.786855 Cr\n0.832415 0.340900 0.786855 Cr\n0.172291 0.172291 0.282658 Cr\n0.832078 0.832078 0.794916 Fe\n0.171619 0.663937 0.294119 Fe\n0.663937 0.171619 0.294119 Fe\n0.668246 0.668246 0.512459 Te\n0.332389 0.332389 0.010049 Te\n0.351274 0.825716 0.401517 O\n0.523036 0.523036 0.656231 O\n0.662840 0.662840 0.890742 O\n0.004758 0.004758 0.704837 O\n0.007371 0.007371 0.205161 O\n0.825716 0.351274 0.401517 O\n0.521065 0.955671 0.653779 O\n0.955671 0.521065 0.653779 O\n0.173238 0.173238 0.900272 O\n0.826554 0.826554 0.401376 O\n0.043252 0.468664 0.153402 O\n0.468664 0.043252 0.153402 O\n0.324561 0.324561 0.392663 O\n0.171969 0.651855 0.901389 O\n0.473991 0.473991 0.150927 O\n0.651855 0.171969 0.901389 O\n","nsites":24,"nelements":4,"elements":["Cr","Fe","Te","O"],"chemical_system":"Cr-Fe-O-Te","density":4.791899370352982,"density_atomic":0.08297214010310908,"volume":289.2537178163094,"volume_molar":7.258027516846397,"formula_full":"Cr3 Fe3 Te2 O16","formula_reduced":"Cr3Fe3(TeO8)2","formula_anonymous":"A2B3C3D16","energy":-180.74831686,"energy_per_atom":-7.5311798691666665,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-156.99131686,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":22.0000003,"is_theoretical":true,"updated_at":"2021-11-28T01:37:03.607000Z","spacegroup":8},{"id":"mp-555985","created_at":"2022-09-04T14:45:20.187996Z","structure_string":"Yb2 H14 C6 O16\n1.0\n6.724549 0.000000 0.000000\n0.770027 6.777954 0.000000\n0.508754 3.270359 9.375341\nYb H C O\n2 14 6 16\ndirect\n0.749470 0.738996 0.748048 Yb\n0.250530 0.261004 0.251952 Yb\n0.603378 0.177816 0.576735 H\n0.844135 0.705221 0.048712 H\n0.396622 0.822184 0.423265 H\n0.790154 0.125326 0.916650 H\n0.157820 0.833267 0.427954 H\n0.606725 0.706459 0.044930 H\n0.189395 0.322093 0.636310 H\n0.261285 0.650396 0.705929 H\n0.810605 0.677907 0.363690 H\n0.155865 0.294779 0.951288 H\n0.842180 0.166733 0.572046 H\n0.393275 0.293541 0.955070 H\n0.209846 0.874674 0.083350 H\n0.738715 0.349604 0.294071 H\n0.221296 0.700239 0.128903 C\n0.755881 0.223921 0.242285 C\n0.792699 0.701044 0.468980 C\n0.244119 0.776079 0.757715 C\n0.207301 0.298956 0.531020 C\n0.778704 0.299761 0.871097 C\n0.945919 0.725415 0.529628 O\n0.728012 0.743453 0.984353 O\n0.273627 0.902548 0.374872 O\n0.594715 0.157174 0.228455 O\n0.067145 0.823471 0.790660 O\n0.726373 0.097452 0.625128 O\n0.271988 0.256547 0.015647 O\n0.405285 0.842826 0.771545 O\n0.054081 0.274585 0.470372 O\n0.932855 0.176529 0.209340 O\n0.605080 0.397347 0.853984 O\n0.619973 0.703717 0.527130 O\n0.059636 0.613640 0.160232 O\n0.394920 0.602653 0.146016 O\n0.940364 0.386360 0.839768 O\n0.380027 0.296283 0.472870 O\n","nsites":38,"nelements":4,"elements":["Yb","H","C","O"],"chemical_system":"C-H-O-Yb","density":2.6745073119882643,"density_atomic":0.08892722580322537,"volume":427.3157028881671,"volume_molar":6.771987662502318,"formula_full":"Yb2 H14 C6 O16","formula_reduced":"YbH7C3O8","formula_anonymous":"AB3C7D8","energy":-239.89823506,"energy_per_atom":-6.313111448947368,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-228.90623506,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0101214,"is_theoretical":false,"updated_at":"2021-11-28T01:37:00.972000Z","spacegroup":2},{"id":"mp-752856","created_at":"2022-09-04T14:45:17.390526Z","structure_string":"Li20 Fe8 S18\n1.0\n11.748728 0.000000 0.000000\n0.000000 11.748728 0.000000\n0.000000 0.000000 5.719493\nLi Fe S\n20 8 18\ndirect\n0.149839 0.316472 0.215056 Li\n0.850161 0.316472 0.215056 Li\n0.816472 0.350161 0.715056 Li\n0.183528 0.350161 0.715056 Li\n0.000000 0.500000 0.175140 Li\n0.000000 0.500000 0.675140 Li\n0.816472 0.649839 0.715056 Li\n0.183528 0.649839 0.715056 Li\n0.850161 0.683528 0.215056 Li\n0.149839 0.683528 0.215056 Li\n0.350161 0.816472 0.284944 Li\n0.649839 0.816472 0.284944 Li\n0.316472 0.850161 0.784944 Li\n0.683528 0.850161 0.784944 Li\n0.500000 0.000000 0.824860 Li\n0.500000 0.000000 0.324860 Li\n0.683528 0.149839 0.784944 Li\n0.316472 0.149839 0.784944 Li\n0.350161 0.183528 0.284944 Li\n0.649839 0.183528 0.284944 Li\n0.500000 0.346765 0.768515 Fe\n0.653235 0.500000 0.231485 Fe\n0.346765 0.500000 0.231485 Fe\n0.500000 0.653235 0.768515 Fe\n0.000000 0.846765 0.731485 Fe\n0.846765 0.000000 0.268515 Fe\n0.153235 0.000000 0.268515 Fe\n0.000000 0.153235 0.731485 Fe\n0.335484 0.335484 0.000000 S\n0.664516 0.335484 0.000000 S\n0.000000 0.333611 0.927647 S\n0.500000 0.500000 0.500000 S\n0.833611 0.500000 0.427647 S\n0.166389 0.500000 0.427647 S\n0.000000 0.666389 0.927647 S\n0.335484 0.664516 0.000000 S\n0.664516 0.664516 0.000000 S\n0.835484 0.835484 0.500000 S\n0.164516 0.835484 0.500000 S\n0.500000 0.833611 0.572353 S\n0.666389 0.000000 0.072353 S\n0.000000 0.000000 0.000000 S\n0.333611 0.000000 0.072353 S\n0.500000 0.166389 0.572353 S\n0.835484 0.164516 0.500000 S\n0.164516 0.164516 0.500000 S\n","nsites":46,"nelements":3,"elements":["Li","Fe","S"],"chemical_system":"Fe-Li-S","density":2.445660752285567,"density_atomic":0.058266455566699744,"volume":789.4765444817922,"volume_molar":10.335519299103813,"formula_full":"Li20 Fe8 S18","formula_reduced":"Li10Fe4S9","formula_anonymous":"A4B9C10","energy":-230.73315952000004,"energy_per_atom":-5.015938250434783,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-221.67915952,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":31.9993986,"is_theoretical":true,"updated_at":"2021-11-28T01:36:59.504000Z","spacegroup":137},{"id":"mp-1245996","created_at":"2022-09-04T14:45:12.765732Z","structure_string":"Ti2 Fe8 N8\n1.0\n5.235734 0.104361 -0.224573\n2.057844 4.628577 0.238623\n1.166182 2.506929 7.354315\nTi Fe N\n2 8 8\ndirect\n0.787016 0.783702 0.786991 Ti\n0.212984 0.216298 0.213009 Ti\n0.683248 0.635956 0.217261 Fe\n0.316752 0.364044 0.782739 Fe\n0.760242 0.195797 0.026984 Fe\n0.239758 0.804203 0.973016 Fe\n0.734054 0.470604 0.590975 Fe\n0.265946 0.529396 0.409025 Fe\n0.277818 0.974898 0.612574 Fe\n0.722182 0.025102 0.387426 Fe\n0.996747 0.668128 0.582669 N\n0.003253 0.331872 0.417331 N\n0.881999 0.788926 0.025429 N\n0.118001 0.211074 0.974571 N\n0.527420 0.571492 0.810193 N\n0.472580 0.428508 0.189807 N\n0.465381 0.805541 0.393305 N\n0.534619 0.194459 0.606695 N\n","nsites":18,"nelements":3,"elements":["Ti","Fe","N"],"chemical_system":"Fe-N-Ti","density":6.261111611332653,"density_atomic":0.10368922261877124,"volume":173.59566930287116,"volume_molar":5.80787531037945,"formula_full":"Ti2 Fe8 N8","formula_reduced":"Ti(FeN)4","formula_anonymous":"AB4C4","energy":-156.919857,"energy_per_atom":-8.717769833333334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-154.031857,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.4353641,"is_theoretical":true,"updated_at":"2021-11-28T01:36:55.812000Z","spacegroup":2},{"id":"mp-998845","created_at":"2022-09-04T14:45:17.393884Z","structure_string":"Tl2 Ni2 O6\n1.0\n4.663036 -2.678337 0.000000\n4.663036 2.678337 0.000000\n3.124663 0.000000 4.376514\nTl Ni O\n2 2 6\ndirect\n0.269520 0.269520 0.269520 Tl\n0.769520 0.769520 0.769520 Tl\n0.005986 0.005986 0.005986 Ni\n0.505986 0.505986 0.505986 Ni\n0.847424 0.243006 0.662563 O\n0.662563 0.847424 0.243006 O\n0.243006 0.662563 0.847424 O\n0.347424 0.162563 0.743006 O\n0.162563 0.743006 0.347424 O\n0.743006 0.347424 0.162563 O\n","nsites":10,"nelements":3,"elements":["Tl","Ni","O"],"chemical_system":"Ni-O-Tl","density":9.450434062552635,"density_atomic":0.09147611103862467,"volume":109.31815844005023,"volume_molar":6.583293377499645,"formula_full":"Tl2 Ni2 O6","formula_reduced":"TlNiO3","formula_anonymous":"ABC3","energy":-55.35411979,"energy_per_atom":-5.535411979,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-46.150119790000005,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0017222,"is_theoretical":true,"updated_at":"2021-11-28T01:37:09.651000Z","spacegroup":161},{"id":"mp-780136","created_at":"2022-09-04T14:45:12.786781Z","structure_string":"Li6 Mn8 B8 O24\n1.0\n-5.271131 0.000000 0.000000\n-0.006742 -9.146990 0.000000\n2.466560 4.173714 10.380868\nLi Mn B O\n6 8 8 24\ndirect\n0.010001 0.990998 0.838843 Li\n0.209968 0.217330 0.587886 Li\n0.235746 0.258888 0.341477 Li\n0.515383 0.490158 0.832781 Li\n0.462061 0.467515 0.104631 Li\n0.728424 0.748456 0.332034 Li\n0.021092 0.343082 0.871593 Mn\n0.231529 0.573966 0.616308 Mn\n0.261647 0.934574 0.365669 Mn\n0.519852 0.847115 0.868747 Mn\n0.465901 0.131895 0.120736 Mn\n0.737112 0.049156 0.618685 Mn\n0.757253 0.426298 0.369202 Mn\n0.969796 0.658250 0.111068 Mn\n0.013410 0.682010 0.865174 B\n0.253421 0.907399 0.638974 B\n0.255392 0.601219 0.363718 B\n0.529616 0.186768 0.880354 B\n0.460553 0.805224 0.113855 B\n0.729977 0.382505 0.615869 B\n0.777601 0.103971 0.378787 B\n0.980400 0.329716 0.138304 B\n0.041753 0.130181 0.396534 O\n0.252239 0.653652 0.826600 O\n0.096341 0.707916 0.330738 O\n0.403223 0.075055 0.912060 O\n0.150420 0.495529 0.408766 O\n0.424233 0.328637 0.894747 O\n0.124784 0.216045 0.159576 O\n0.341728 0.002321 0.581981 O\n0.063972 0.427096 0.082552 O\n0.424186 0.806707 0.681295 O\n0.240422 0.848032 0.160183 O\n0.480859 0.396539 0.635381 O\n0.510675 0.594836 0.354737 O\n0.758143 0.151529 0.838646 O\n0.605775 0.200573 0.334621 O\n0.900826 0.571070 0.900270 O\n0.673370 0.983183 0.406022 O\n0.895754 0.815567 0.869600 O\n0.591977 0.682038 0.130582 O\n0.834709 0.470659 0.556208 O\n0.554002 0.897306 0.054088 O\n0.893748 0.281786 0.657161 O\n0.735560 0.351732 0.176887 O\n0.007820 0.908171 0.655417 O\n","nsites":46,"nelements":4,"elements":["Li","Mn","B","O"],"chemical_system":"B-Li-Mn-O","density":3.1571759293762516,"density_atomic":0.09190563691129337,"volume":500.51336942911183,"volume_molar":6.552526006443461,"formula_full":"Li6 Mn8 B8 O24","formula_reduced":"Li3Mn4(BO3)4","formula_anonymous":"A3B4C4D12","energy":-370.42719623,"energy_per_atom":-8.052765135434782,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-340.59519623,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":38.0000001,"is_theoretical":true,"updated_at":"2021-11-28T01:36:57.056000Z","spacegroup":1},{"id":"mp-556824","created_at":"2022-09-04T14:45:12.838742Z","structure_string":"Tl8 Ni16 P16 O60\n1.0\n7.003576 5.250574 0.000000\n-7.003576 5.250574 0.000000\n0.000000 4.222596 17.915445\nTl Ni P O\n8 16 16 60\ndirect\n0.412332 0.888556 0.299876 Tl\n0.450332 0.649478 0.051207 Tl\n0.350522 0.549668 0.448793 Tl\n0.587668 0.111444 0.700124 Tl\n0.549668 0.350522 0.948793 Tl\n0.888556 0.412332 0.799876 Tl\n0.111444 0.587668 0.200124 Tl\n0.649478 0.450332 0.551207 Tl\n0.730057 0.086418 0.068242 Ni\n0.038878 0.151341 0.932505 Ni\n0.539557 0.460443 0.250000 Ni\n0.827938 0.172062 0.250000 Ni\n0.460443 0.539557 0.750000 Ni\n0.500000 0.000000 0.500000 Ni\n0.961122 0.848659 0.067495 Ni\n0.086418 0.730057 0.568242 Ni\n0.848659 0.961122 0.567495 Ni\n0.046443 0.953557 0.250000 Ni\n0.172062 0.827938 0.750000 Ni\n0.151341 0.038878 0.432505 Ni\n0.953557 0.046443 0.750000 Ni\n0.000000 0.500000 0.000000 Ni\n0.913582 0.269943 0.431758 Ni\n0.269943 0.913582 0.931758 Ni\n0.227579 0.557826 0.878840 P\n0.779552 0.897721 0.402514 P\n0.312505 0.013036 0.097948 P\n0.986964 0.687495 0.402052 P\n0.102279 0.220448 0.097486 P\n0.723254 0.839821 0.178883 P\n0.160179 0.276746 0.321117 P\n0.772421 0.442174 0.121160 P\n0.897721 0.779552 0.902514 P\n0.839821 0.723254 0.678883 P\n0.276746 0.160179 0.821117 P\n0.220448 0.102279 0.597486 P\n0.687495 0.986964 0.902052 P\n0.557826 0.227579 0.378840 P\n0.013036 0.312505 0.597948 P\n0.442174 0.772421 0.621160 P\n0.600752 0.868091 0.429248 O\n0.669453 0.218323 0.438454 O\n0.409106 0.297023 0.767344 O\n0.949419 0.251552 0.681307 O\n0.050581 0.748448 0.318693 O\n0.542373 0.399096 0.359100 O\n0.251552 0.949419 0.181307 O\n0.827467 0.385661 0.193243 O\n0.491592 0.054066 0.071045 O\n0.614339 0.172533 0.306757 O\n0.385661 0.827467 0.693243 O\n0.163488 0.039826 0.681598 O\n0.702838 0.009316 0.187471 O\n0.508408 0.945934 0.928955 O\n0.748448 0.050581 0.818693 O\n0.039826 0.163488 0.181598 O\n0.007930 0.888671 0.948712 O\n0.960174 0.836512 0.818402 O\n0.095479 0.394967 0.920434 O\n0.990684 0.297162 0.312529 O\n0.212751 0.900557 0.050689 O\n0.724359 0.811683 0.920889 O\n0.099443 0.787249 0.449311 O\n0.218323 0.669453 0.938454 O\n0.897578 0.829702 0.183632 O\n0.172533 0.614339 0.806757 O\n0.839071 0.715730 0.592978 O\n0.297162 0.990684 0.812529 O\n0.811683 0.724359 0.420889 O\n0.394967 0.095479 0.420434 O\n0.992070 0.111329 0.051288 O\n0.900557 0.212751 0.550690 O\n0.275641 0.188317 0.079111 O\n0.330547 0.781677 0.561546 O\n0.009316 0.702838 0.687471 O\n0.829702 0.897578 0.683632 O\n0.868091 0.600752 0.929248 O\n0.160929 0.284270 0.407022 O\n0.590894 0.702977 0.232656 O\n0.284270 0.160929 0.907022 O\n0.188317 0.275641 0.579111 O\n0.605033 0.904521 0.579566 O\n0.781677 0.330547 0.061546 O\n0.297023 0.409106 0.267344 O\n0.111329 0.992070 0.551288 O\n0.904521 0.605033 0.079566 O\n0.399248 0.131909 0.570752 O\n0.102422 0.170298 0.816368 O\n0.715730 0.839071 0.092978 O\n0.054066 0.491592 0.571045 O\n0.131909 0.399248 0.070752 O\n0.836512 0.960174 0.318402 O\n0.399096 0.542373 0.859100 O\n0.945934 0.508408 0.428955 O\n0.888671 0.007930 0.448712 O\n0.600904 0.457627 0.140900 O\n0.457627 0.600904 0.640900 O\n0.702977 0.590894 0.732656 O\n0.170298 0.102422 0.316368 O\n0.787249 0.099443 0.949310 O\n","nsites":100,"nelements":4,"elements":["Tl","Ni","P","O"],"chemical_system":"Ni-O-P-Tl","density":5.078531208545896,"density_atomic":0.07589545602767875,"volume":1317.6019386922246,"volume_molar":7.934784340453466,"formula_full":"Tl8 Ni16 P16 O60","formula_reduced":"Tl2Ni4P4O15","formula_anonymous":"A2B4C4D15","energy":-708.83412273,"energy_per_atom":-7.0883412273,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-626.95812273,"band_gap":3.3299,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":32.0000001,"is_theoretical":false,"updated_at":"2021-11-28T01:36:52.023000Z","spacegroup":15}]}