{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=nelements&page=115","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=nelements&page=113","results":[{"id":"mp-978846","created_at":"2022-09-04T14:48:00.709210Z","structure_string":"Sn2 I4\n1.0\n7.630706 0.000000 0.000000\n0.000000 7.630706 0.000000\n0.000000 0.000000 4.695760\nSn I\n2 4\ndirect\n0.000000 0.000000 0.000000 Sn\n0.500000 0.500000 0.500000 Sn\n0.298521 0.298521 0.000000 I\n0.701479 0.701479 0.000000 I\n0.201479 0.798521 0.500000 I\n0.798521 0.201479 0.500000 I\n","nsites":6,"nelements":2,"elements":["Sn","I"],"chemical_system":"I-Sn","density":4.524724251448961,"density_atomic":0.02194400613710631,"volume":273.4231827366414,"volume_molar":27.443214891454275,"formula_full":"Sn2 I4","formula_reduced":"SnI2","formula_anonymous":"AB2","energy":-18.54690757,"energy_per_atom":-3.0911512616666665,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-17.03090757,"band_gap":1.1995999999999998,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.00106,"is_theoretical":true,"updated_at":"2021-11-28T01:38:30.892000Z","spacegroup":136},{"id":"mp-21589","created_at":"2022-09-04T14:48:00.663731Z","structure_string":"Ga9 Ni13\n1.0\n3.951121 4.975802 0.000000\n-3.951121 4.975802 0.000000\n0.000000 4.949126 6.882082\nGa Ni\n9 13\ndirect\n0.171437 0.750668 0.308953 Ga\n0.249332 0.828563 0.691047 Ga\n0.828563 0.249332 0.691047 Ga\n0.750668 0.171437 0.308953 Ga\n0.829572 0.829572 0.112759 Ga\n0.170428 0.170428 0.887241 Ga\n0.291915 0.291915 0.167341 Ga\n0.708085 0.708085 0.832659 Ga\n0.500000 0.500000 0.500000 Ga\n0.065170 0.542259 0.660919 Ni\n0.457741 0.934830 0.339081 Ni\n0.934830 0.457741 0.339081 Ni\n0.542259 0.065170 0.660919 Ni\n0.550870 0.550870 0.178754 Ni\n0.449130 0.449130 0.821246 Ni\n0.741798 0.741798 0.512365 Ni\n0.258202 0.258202 0.487635 Ni\n0.259901 0.740099 0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n0.000000 0.500000 0.000000 Ni\n0.500000 0.000000 0.000000 Ni\n0.740099 0.259901 0.000000 Ni\n","nsites":22,"nelements":2,"elements":["Ga","Ni"],"chemical_system":"Ga-Ni","density":8.532837073420756,"density_atomic":0.08129978967835737,"volume":270.603406073221,"volume_molar":7.407326370492616,"formula_full":"Ga9 Ni13","formula_reduced":"Ga9Ni13","formula_anonymous":"A9B13","energy":-110.96172058,"energy_per_atom":-5.043714571818182,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-110.96172058,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0508336,"is_theoretical":false,"updated_at":"2021-11-28T01:38:29.021000Z","spacegroup":12},{"id":"mp-1023610","created_at":"2022-09-04T14:48:00.683044Z","structure_string":"Mg15 Cu1\n1.0\n3.152930 -5.461034 0.000000\n3.152930 5.461034 0.000000\n0.000000 0.000000 10.157145\nMg Cu\n15 1\ndirect\n0.333333 0.666667 0.500000 Mg\n0.831798 0.663596 0.000000 Mg\n0.834178 0.668356 0.500000 Mg\n0.831798 0.168202 0.000000 Mg\n0.834178 0.165822 0.500000 Mg\n0.336404 0.168202 0.000000 Mg\n0.331644 0.165822 0.500000 Mg\n0.660270 0.830135 0.243113 Mg\n0.660270 0.830135 0.756887 Mg\n0.169865 0.830135 0.243113 Mg\n0.169865 0.830135 0.756887 Mg\n0.169865 0.339730 0.243113 Mg\n0.169865 0.339730 0.756887 Mg\n0.666667 0.333333 0.252080 Mg\n0.666667 0.333333 0.747920 Mg\n0.333333 0.666667 0.000000 Cu\n","nsites":16,"nelements":2,"elements":["Mg","Cu"],"chemical_system":"Cu-Mg","density":2.032472936215428,"density_atomic":0.04574347202593524,"volume":349.77668487710025,"volume_molar":13.165027693100381,"formula_full":"Mg15 Cu1","formula_reduced":"Mg15Cu","formula_anonymous":"AB15","energy":-27.78158316,"energy_per_atom":-1.7363489475,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-27.78158316,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0025809,"is_theoretical":true,"updated_at":"2021-11-28T01:38:26.368000Z","spacegroup":187},{"id":"mp-570112","created_at":"2022-09-04T14:47:11.501191Z","structure_string":"Cr6 C4\n1.0\n1.407750 -4.611479 0.000000\n1.407750 4.611479 0.000000\n0.000000 0.000000 6.916688\nCr C\n6 4\ndirect\n0.598884 0.401116 0.750000 Cr\n0.856498 0.143502 0.929988 Cr\n0.401116 0.598884 0.250000 Cr\n0.143502 0.856498 0.070012 Cr\n0.856498 0.143502 0.570012 Cr\n0.143502 0.856498 0.429988 Cr\n0.246029 0.753971 0.750000 C\n0.753971 0.246029 0.250000 C\n0.500000 0.500000 0.000000 C\n0.500000 0.500000 0.500000 C\n","nsites":10,"nelements":2,"elements":["Cr","C"],"chemical_system":"C-Cr","density":6.657038190867096,"density_atomic":0.1113540577089777,"volume":89.80364259499966,"volume_molar":5.408101764678196,"formula_full":"Cr6 C4","formula_reduced":"Cr3C2","formula_anonymous":"A2B3","energy":-95.52400744,"energy_per_atom":-9.552400744,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-95.52400744,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0077343,"is_theoretical":false,"updated_at":"2021-11-28T01:37:56.425000Z","spacegroup":63},{"id":"mp-1074046","created_at":"2022-09-04T14:48:00.963295Z","structure_string":"Mg18 Si10\n1.0\n-7.255227 0.000000 0.000000\n3.507883 6.363778 0.000000\n-1.126999 -2.318653 -12.126107\nMg Si\n18 10\ndirect\n0.215142 0.014165 0.295597 Mg\n0.890274 0.771676 0.465139 Mg\n0.659242 0.820314 0.292865 Mg\n0.317053 0.057432 0.533817 Mg\n0.210493 0.629118 0.365672 Mg\n0.814620 0.282064 0.452886 Mg\n0.684385 0.969651 0.819441 Mg\n0.296991 0.888706 0.988345 Mg\n0.335570 0.185590 0.818188 Mg\n0.590969 0.660257 0.992578 Mg\n0.908629 0.560696 0.823267 Mg\n0.058982 0.363477 0.985920 Mg\n0.248399 0.695249 0.638792 Mg\n0.653340 0.134070 0.171928 Mg\n0.573265 0.536712 0.633006 Mg\n0.369201 0.350918 0.155043 Mg\n0.036793 0.231098 0.662007 Mg\n0.897284 0.612922 0.161983 Mg\n0.978104 0.953475 0.948389 Si\n0.981966 0.851994 0.684697 Si\n0.235269 0.340042 0.465473 Si\n0.965294 0.025131 0.151342 Si\n0.315534 0.571621 0.818626 Si\n0.569702 0.410249 0.354474 Si\n0.644398 0.302032 0.989389 Si\n0.317872 0.702463 0.155226 Si\n0.581033 0.883607 0.511928 Si\n0.650334 0.195829 0.664283 Si\n","nsites":28,"nelements":2,"elements":["Mg","Si"],"chemical_system":"Mg-Si","density":2.1305648049640973,"density_atomic":0.05001158390890614,"volume":559.8702902711649,"volume_molar":12.041491769125049,"formula_full":"Mg18 Si10","formula_reduced":"Mg9Si5","formula_anonymous":"A5B9","energy":-83.02765773,"energy_per_atom":-2.9652734903571427,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-83.73765773,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0013138,"is_theoretical":true,"updated_at":"2021-11-28T01:38:20.814000Z","spacegroup":1},{"id":"mp-566278","created_at":"2022-09-04T14:48:00.948616Z","structure_string":"W4 O12\n1.0\n3.884952 0.000000 0.000000\n0.000000 7.688686 0.000000\n0.000000 0.000000 7.749755\nW O\n4 12\ndirect\n0.970361 0.750000 0.016308 W\n0.029639 0.750000 0.516308 W\n0.970361 0.250000 0.483692 W\n0.029639 0.250000 0.983692 W\n0.998394 0.250000 0.244044 O\n0.506488 0.250000 0.993453 O\n0.000000 0.500000 0.000000 O\n0.001606 0.250000 0.744044 O\n0.506488 0.750000 0.506547 O\n0.000000 0.000000 0.000000 O\n0.001606 0.750000 0.755956 O\n0.493512 0.750000 0.006547 O\n0.998394 0.750000 0.255956 O\n0.000000 0.500000 0.500000 O\n0.493512 0.250000 0.493453 O\n0.000000 0.000000 0.500000 O\n","nsites":16,"nelements":2,"elements":["W","O"],"chemical_system":"O-W","density":6.652246439711197,"density_atomic":0.06911848771081526,"volume":231.48654621817502,"volume_molar":8.712778533575598,"formula_full":"W4 O12","formula_reduced":"WO3","formula_anonymous":"AB3","energy":-146.16212862,"energy_per_atom":-9.13513303875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-120.16612862,"band_gap":1.6008,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0031973,"is_theoretical":true,"updated_at":"2021-11-28T01:38:26.371000Z","spacegroup":57},{"id":"mp-8023","created_at":"2022-09-04T14:48:01.022642Z","structure_string":"Al1 O1\n1.0\n0.000000 2.238265 2.238265\n2.238265 0.000000 2.238265\n2.238265 2.238265 0.000000\nAl O\n1 1\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 O\n","nsites":2,"nelements":2,"elements":["Al","O"],"chemical_system":"Al-O","density":3.1824419169671163,"density_atomic":0.08917959363094626,"volume":22.426655230978525,"volume_molar":6.752823728847149,"formula_full":"Al1 O1","formula_reduced":"AlO","formula_anonymous":"AB","energy":-11.79776811,"energy_per_atom":-5.898884055,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-11.11076811,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0029123,"is_theoretical":false,"updated_at":"2021-11-28T01:38:28.094000Z","spacegroup":225},{"id":"mp-214","created_at":"2022-09-04T14:46:42.268181Z","structure_string":"Zr1 Ru1\n1.0\n3.282356 0.000000 0.000000\n0.000000 3.282356 0.000000\n0.000000 0.000000 3.282356\nZr Ru\n1 1\ndirect\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Ru\n","nsites":2,"nelements":2,"elements":["Zr","Ru"],"chemical_system":"Ru-Zr","density":9.02937695427734,"density_atomic":0.056555252907058436,"volume":35.36364700351977,"volume_molar":10.648243002107415,"formula_full":"Zr1 Ru1","formula_reduced":"ZrRu","formula_anonymous":"AB","energy":-19.13700874,"energy_per_atom":-9.56850437,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-19.13700874,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:37:49.816000Z","spacegroup":221},{"id":"mp-1244901","created_at":"2022-09-04T14:48:01.309021Z","structure_string":"V30 O75\n1.0\n11.772671 0.585004 -0.313479\n0.571286 11.800462 -0.069852\n-0.318637 -0.075173 12.107837\nV O\n30 75\ndirect\n0.719988 0.702066 0.943029 V\n0.904541 0.748391 0.167463 V\n0.961986 0.762333 0.665470 V\n0.465794 0.700987 0.065642 V\n0.834259 0.021005 0.642134 V\n0.366785 0.125459 0.720331 V\n0.399072 0.570170 0.816489 V\n0.480342 0.697230 0.608904 V\n0.850532 0.997807 0.062149 V\n0.353923 0.936681 0.228893 V\n0.534681 0.017964 0.342599 V\n0.199872 0.546370 0.611742 V\n0.762030 0.598035 0.532277 V\n0.080560 0.852161 0.918601 V\n0.198148 0.184367 0.268045 V\n0.032486 0.978480 0.264377 V\n0.102127 0.276596 0.668923 V\n0.879989 0.554105 0.285028 V\n0.987422 0.569691 0.966794 V\n0.588710 0.093848 0.908333 V\n0.885422 0.239003 0.839827 V\n0.551288 0.976098 0.621633 V\n0.444794 0.440452 0.190828 V\n0.240796 0.412989 0.965836 V\n0.906969 0.371380 0.479104 V\n0.343593 0.669747 0.328607 V\n0.621266 0.269372 0.228007 V\n0.357892 0.971459 0.966108 V\n0.655662 0.457732 0.789531 V\n0.870233 0.340378 0.096513 V\n0.086577 0.644924 0.636049 O\n0.711912 0.583046 0.849374 O\n0.214795 0.283578 0.935073 O\n0.229438 0.924576 0.611610 O\n0.012580 0.284239 0.785472 O\n0.356002 0.520623 0.286955 O\n0.117139 0.493970 0.017107 O\n0.387216 0.640683 0.954372 O\n0.807188 0.310250 0.412282 O\n0.321347 0.235198 0.246280 O\n0.426852 0.090947 0.592391 O\n0.149850 0.235225 0.384308 O\n0.688922 0.823990 0.884633 O\n0.503699 0.661760 0.751599 O\n0.323523 0.022761 0.832894 O\n0.208567 0.892670 0.967245 O\n0.765172 0.338854 0.817091 O\n0.338916 0.421607 0.082663 O\n0.208705 0.900053 0.513684 O\n0.472095 0.841667 0.621961 O\n0.639143 0.463405 0.655478 O\n0.280146 0.481153 0.845459 O\n0.393396 0.252823 0.754147 O\n0.411869 0.684377 0.461687 O\n0.581668 0.230709 0.905577 O\n0.730092 0.055542 0.979303 O\n0.992752 0.992121 0.388928 O\n0.705798 0.964982 0.666845 O\n0.212949 0.535467 0.480087 O\n0.475665 0.060491 0.990768 O\n0.995714 0.309713 0.189132 O\n0.094592 0.828767 0.760599 O\n0.436285 0.843550 0.983270 O\n0.059314 0.715871 0.965904 O\n0.616412 0.696511 0.046894 O\n0.855553 0.696098 0.550789 O\n0.812433 0.708642 0.263900 O\n0.896537 0.453363 0.009062 O\n0.752203 0.571602 0.395246 O\n0.180179 0.014291 0.261124 O\n0.883684 0.752476 0.771675 O\n0.005031 0.264584 0.556022 O\n0.984303 0.599515 0.201572 O\n0.812272 0.464860 0.203085 O\n0.931042 0.908168 0.600491 O\n0.384911 0.761854 0.208132 O\n0.516987 0.455173 0.837785 O\n0.204903 0.163501 0.675123 O\n0.527175 0.049926 0.776845 O\n0.569188 0.392585 0.298040 O\n0.621265 0.664262 0.567839 O\n0.162314 0.402728 0.655621 O\n0.212575 0.720733 0.336636 O\n0.921434 0.063570 0.177557 O\n0.846078 0.466804 0.581657 O\n0.316834 0.012426 0.108470 O\n0.965842 0.466300 0.388050 O\n0.979461 0.544573 0.836131 O\n0.901971 0.219088 0.980305 O\n0.809751 0.111106 0.542273 O\n0.017684 0.836912 0.215615 O\n0.522154 0.921175 0.233629 O\n0.504434 0.550532 0.137201 O\n0.862795 0.113643 0.773264 O\n0.092628 0.241579 0.155111 O\n0.515576 0.292542 0.127607 O\n0.383871 0.023999 0.354484 O\n0.593493 0.957990 0.460080 O\n0.858785 0.683874 0.019850 O\n0.746941 0.267421 0.156441 O\n0.600824 0.141291 0.302280 O\n0.963259 0.942679 0.985460 O\n0.800870 0.883590 0.120201 O\n0.046229 0.941395 0.794592 O\n0.336187 0.599899 0.665521 O\n","nsites":105,"nelements":2,"elements":["V","O"],"chemical_system":"O-V","density":2.701749479941664,"density_atomic":0.0626194247331302,"volume":1676.7959853908944,"volume_molar":9.617048999835113,"formula_full":"V30 O75","formula_reduced":"V2O5","formula_anonymous":"A2B5","energy":-828.43992026,"energy_per_atom":-7.88990400247619,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-765.36492026,"band_gap":0.4653,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":8.0000003,"is_theoretical":true,"updated_at":"2021-11-28T01:38:22.475000Z","spacegroup":1},{"id":"mp-1908","created_at":"2022-09-04T14:48:01.242830Z","structure_string":"Pr20 Ge16\n1.0\n8.017251 0.000000 0.000000\n0.000000 8.110656 0.000000\n0.000000 0.000000 15.358135\nPr Ge\n20 16\ndirect\n0.380298 0.160058 0.114331 Pr\n0.880298 0.339942 0.385669 Pr\n0.119702 0.660058 0.885669 Pr\n0.619702 0.839942 0.614331 Pr\n0.380298 0.160058 0.385669 Pr\n0.880298 0.339942 0.114331 Pr\n0.119702 0.660058 0.614331 Pr\n0.619702 0.839942 0.885669 Pr\n0.024647 0.820998 0.397233 Pr\n0.524647 0.679002 0.102767 Pr\n0.475353 0.320998 0.602767 Pr\n0.975353 0.179002 0.897233 Pr\n0.975353 0.179002 0.602767 Pr\n0.475353 0.320998 0.897233 Pr\n0.524647 0.679002 0.397233 Pr\n0.024647 0.820998 0.102767 Pr\n0.285058 0.997252 0.750000 Pr\n0.785058 0.502748 0.750000 Pr\n0.214942 0.497252 0.250000 Pr\n0.714942 0.002748 0.250000 Pr\n0.777574 0.531935 0.545042 Ge\n0.277574 0.968065 0.954958 Ge\n0.722426 0.031935 0.454958 Ge\n0.222426 0.468065 0.045042 Ge\n0.222426 0.468065 0.454958 Ge\n0.722426 0.031935 0.045042 Ge\n0.277574 0.968065 0.545042 Ge\n0.777574 0.531935 0.954958 Ge\n0.910447 0.891392 0.750000 Ge\n0.410447 0.608608 0.750000 Ge\n0.589553 0.391392 0.250000 Ge\n0.089553 0.108608 0.250000 Ge\n0.175324 0.367676 0.750000 Ge\n0.675324 0.132324 0.750000 Ge\n0.324676 0.867676 0.250000 Ge\n0.824676 0.632324 0.250000 Ge\n","nsites":36,"nelements":2,"elements":["Pr","Ge"],"chemical_system":"Ge-Pr","density":6.618431953913028,"density_atomic":0.0360481148124297,"volume":998.665261340848,"volume_molar":16.705841044213262,"formula_full":"Pr20 Ge16","formula_reduced":"Pr5Ge4","formula_anonymous":"A4B5","energy":-197.85687473,"energy_per_atom":-5.496024298055556,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-197.85687473,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.514474,"is_theoretical":false,"updated_at":"2021-11-28T01:38:29.490000Z","spacegroup":62},{"id":"mp-27200","created_at":"2022-09-04T14:48:00.948221Z","structure_string":"B52 H76\n1.0\n6.684869 0.000000 0.000000\n0.000000 9.358267 0.000000\n0.000000 2.825812 20.005228\nB H\n52 76\ndirect\n0.562960 0.701859 0.112689 B\n0.062960 0.298141 0.387311 B\n0.437040 0.298141 0.887311 B\n0.937040 0.701859 0.612689 B\n0.806642 0.749887 0.087824 B\n0.306642 0.250113 0.412176 B\n0.193358 0.250113 0.912176 B\n0.693358 0.749887 0.587824 B\n0.956774 0.594513 0.093855 B\n0.456774 0.405487 0.406145 B\n0.043226 0.405487 0.906145 B\n0.543226 0.594513 0.593855 B\n0.705191 0.589263 0.069740 B\n0.205191 0.410737 0.430260 B\n0.294809 0.410737 0.930260 B\n0.794809 0.589263 0.569740 B\n0.805989 0.446692 0.133938 B\n0.305989 0.553308 0.366062 B\n0.194011 0.553308 0.866062 B\n0.694011 0.446692 0.633938 B\n0.832490 0.269364 0.102107 B\n0.332490 0.730636 0.397893 B\n0.167510 0.730636 0.897893 B\n0.667510 0.269364 0.602107 B\n0.613017 0.168629 0.089169 B\n0.113017 0.831371 0.410831 B\n0.386983 0.831371 0.910831 B\n0.886983 0.168629 0.589169 B\n0.480271 0.138721 0.164417 B\n0.980271 0.861279 0.335583 B\n0.519729 0.861279 0.835583 B\n0.019729 0.138721 0.664417 B\n0.611873 0.227620 0.224065 B\n0.111873 0.772380 0.275935 B\n0.388127 0.772380 0.775935 B\n0.888127 0.227620 0.724065 B\n0.678674 0.416835 0.208865 B\n0.178674 0.583165 0.291135 B\n0.321326 0.583165 0.791135 B\n0.821326 0.416835 0.708865 B\n0.549095 0.513495 0.141465 B\n0.049095 0.486505 0.358535 B\n0.450905 0.486505 0.858535 B\n0.950905 0.513495 0.641465 B\n0.739284 0.128865 0.164055 B\n0.239284 0.871135 0.335945 B\n0.260716 0.871135 0.835945 B\n0.760716 0.128865 0.664055 B\n0.846026 0.289966 0.188395 B\n0.346026 0.710034 0.311605 B\n0.153974 0.710034 0.811605 B\n0.653974 0.289966 0.688395 B\n0.973356 0.710463 0.124882 H\n0.473356 0.289537 0.375118 H\n0.026644 0.289537 0.875118 H\n0.526644 0.710463 0.624882 H\n0.430393 0.215542 0.105232 H\n0.930393 0.784458 0.394768 H\n0.569607 0.784458 0.894768 H\n0.069607 0.215542 0.605232 H\n0.434601 0.251855 0.196029 H\n0.934601 0.748145 0.303971 H\n0.565399 0.748145 0.803971 H\n0.065399 0.251855 0.696029 H\n0.699750 0.782934 0.140185 H\n0.199750 0.217066 0.359815 H\n0.300250 0.217066 0.859815 H\n0.800250 0.782934 0.640185 H\n0.516571 0.626518 0.172441 H\n0.016571 0.373482 0.327559 H\n0.483429 0.373482 0.827559 H\n0.983429 0.626518 0.672441 H\n0.673303 0.304550 0.064591 H\n0.173303 0.695450 0.435409 H\n0.326697 0.695450 0.935409 H\n0.826697 0.304550 0.564591 H\n0.985698 0.512273 0.149239 H\n0.485698 0.487727 0.350761 H\n0.014302 0.487727 0.850761 H\n0.514302 0.512273 0.649239 H\n0.427234 0.777875 0.092385 H\n0.927234 0.222125 0.407615 H\n0.572766 0.222125 0.907615 H\n0.360822 0.044246 0.176262 H\n0.072766 0.777875 0.592385 H\n0.344008 0.142539 0.448778 H\n0.155992 0.142539 0.948778 H\n0.655992 0.857461 0.551222 H\n0.093067 0.589781 0.056459 H\n0.593067 0.410219 0.443541 H\n0.906933 0.410219 0.943541 H\n0.406933 0.589781 0.556459 H\n0.664722 0.570135 0.014172 H\n0.164722 0.429865 0.485828 H\n0.335278 0.429865 0.985828 H\n0.835278 0.570135 0.514172 H\n0.970401 0.252510 0.066474 H\n0.470401 0.747490 0.433526 H\n0.029599 0.747490 0.933526 H\n0.529599 0.252510 0.566474 H\n0.590140 0.100243 0.044273 H\n0.090140 0.899757 0.455727 H\n0.409860 0.899757 0.955727 H\n0.909860 0.100243 0.544273 H\n0.495559 0.269924 0.716134 H\n0.995559 0.730076 0.783866 H\n0.504441 0.730076 0.283866 H\n0.004441 0.269924 0.216134 H\n0.674813 0.017352 0.678985 H\n0.174813 0.982648 0.821015 H\n0.325187 0.982648 0.321015 H\n0.825187 0.017352 0.178985 H\n0.103449 0.466321 0.621747 H\n0.603449 0.533679 0.878253 H\n0.896551 0.533679 0.378253 H\n0.396551 0.466321 0.121747 H\n0.782535 0.479156 0.755255 H\n0.282535 0.520844 0.744745 H\n0.217465 0.520844 0.244745 H\n0.717465 0.479156 0.255255 H\n0.909876 0.170970 0.780463 H\n0.409876 0.829030 0.719537 H\n0.090124 0.829030 0.219537 H\n0.590124 0.170970 0.280463 H\n0.139178 0.044246 0.676262 H\n0.639178 0.955754 0.823738 H\n0.860822 0.955754 0.323738 H\n0.844008 0.857461 0.051222 H\n","nsites":128,"nelements":2,"elements":["B","H"],"chemical_system":"B-H","density":0.8475502746725434,"density_atomic":0.10227703546310074,"volume":1251.5028365891533,"volume_molar":5.8880673777180945,"formula_full":"B52 H76","formula_reduced":"B13H19","formula_anonymous":"A13B19","energy":-625.65326669,"energy_per_atom":-4.887916146015625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-612.04926669,"band_gap":2.7669,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0006628,"is_theoretical":false,"updated_at":"2021-11-28T01:38:28.900000Z","spacegroup":14},{"id":"mp-8035","created_at":"2022-09-04T14:48:00.895238Z","structure_string":"B12 C3\n1.0\n5.855836 -3.409012 0.000000\n5.855836 3.409012 0.000000\n3.871258 0.000000 5.561074\nB C\n12 3\ndirect\n0.871924 0.500081 0.500081 B\n0.500081 0.500081 0.871924 B\n0.500081 0.871924 0.500081 B\n0.499919 0.128076 0.499919 B\n0.128076 0.499919 0.499919 B\n0.499919 0.499919 0.128076 B\n0.103877 0.346437 0.346437 B\n0.346437 0.346437 0.103877 B\n0.346437 0.103877 0.346437 B\n0.653563 0.896123 0.653563 B\n0.896123 0.653563 0.653563 B\n0.653563 0.653563 0.896123 B\n0.416353 0.416353 0.416353 C\n0.583647 0.583647 0.583647 C\n0.500000 0.500000 0.500000 C\n","nsites":15,"nelements":2,"elements":["B","C"],"chemical_system":"B-C","density":1.2397481599893632,"density_atomic":0.0675593020049608,"volume":222.0271606550726,"volume_molar":8.913858760053206,"formula_full":"B12 C3","formula_reduced":"B4C","formula_anonymous":"AB4","energy":-93.55453921,"energy_per_atom":-6.236969280666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-93.55453921,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.8e-06,"is_theoretical":true,"updated_at":"2021-11-28T01:38:30.485000Z","spacegroup":166}]}