{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-nsites&page=48","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-nsites&page=46","results":[{"id":"jvasp-97428","created_at":"2022-09-04T14:35:43.523210Z","updated_at":"2022-09-04T14:35:43.523242Z","structure_string":"Li4 H16 S4 N4 O16\n1.0\n5.344794 0.000000 0.000000\n0.000000 8.566465 0.000000\n0.000000 0.000000 9.042341\nLi H S N O\n4 16 4 4 16\ndirect\n0.256059 0.808554 0.416062 Li\n0.256059 0.308553 0.083938 Li\n0.756058 0.191447 0.583938 Li\n0.756058 0.691447 0.916062 Li\n0.435809 0.046383 0.776488 H\n0.435809 0.546383 0.723512 H\n0.702009 0.506667 0.163327 H\n0.141846 0.593164 0.678115 H\n0.702009 0.006667 0.336673 H\n0.641846 0.406836 0.321885 H\n0.202009 0.993334 0.663327 H\n0.202009 0.493334 0.836672 H\n0.229050 0.404089 0.669227 H\n0.141846 0.093164 0.821885 H\n0.229050 0.904089 0.830773 H\n0.729049 0.095911 0.169227 H\n0.935809 0.453617 0.276488 H\n0.935809 0.953618 0.223512 H\n0.729049 0.595911 0.330773 H\n0.641846 0.906837 0.178115 H\n0.251083 0.203754 0.420577 S\n0.751082 0.796247 0.579422 S\n0.751082 0.296247 0.920577 S\n0.251083 0.703754 0.079422 S\n0.253047 0.507656 0.727687 N\n0.753046 0.492344 0.272313 N\n0.253047 0.007656 0.772313 N\n0.753046 -0.007656 0.227687 N\n0.647708 0.739965 0.722055 O\n0.147708 0.260035 0.277945 O\n0.011505 0.235316 0.940739 O\n0.091195 0.763182 0.955731 O\n0.754887 0.468681 0.923559 O\n0.754887 0.968681 0.576441 O\n0.147708 0.760036 0.222055 O\n0.011505 0.735317 0.559261 O\n0.254888 0.531320 0.076441 O\n0.091195 0.263182 0.544269 O\n0.591194 0.736819 0.455731 O\n0.511504 0.764684 0.059261 O\n0.254888 0.031320 0.423559 O\n0.647708 0.239965 0.777945 O\n0.591194 0.236819 0.044269 O\n0.511504 0.264684 0.440739 O\n","nsites":44,"nelements":5,"elements":["Li","H","S","N","O"],"chemical_system":"H-Li-N-O-S","density":1.9419225198673855,"density_atomic":0.10627697380618224,"volume":414.01254123252494,"volume_molar":5.66645863569902,"formula_full":"Li4 H16 S4 N4 O16","formula_reduced":"LiH4SNO4","formula_anonymous":"ABCD4E4","energy_above_hull":2.9335306590909083,"spacegroup":33},{"id":"jvasp-112028","created_at":"2022-09-04T14:38:43.421220Z","updated_at":"2022-09-04T14:38:43.421242Z","structure_string":"Ca2 H20 C14 O8\n1.0\n4.368025 -0.069543 -0.255811\n-1.232684 7.456182 -0.863200\n0.016742 0.137382 11.305441\nCa H C O\n2 20 14 8\ndirect\n0.927212 0.500243 0.819485 Ca\n0.927212 0.000243 0.819485 Ca\n0.192594 0.078427 0.398203 H\n0.190466 0.807368 0.443804 H\n0.190466 0.307368 0.443803 H\n0.735025 0.840392 0.541675 H\n0.735024 0.340393 0.541675 H\n0.736823 0.114912 0.498693 H\n0.736824 0.614912 0.498693 H\n0.669459 0.667525 0.287188 H\n0.669458 0.167526 0.287188 H\n0.192595 0.578427 0.398203 H\n0.668959 0.394211 0.334348 H\n0.668960 0.894211 0.334348 H\n0.659316 0.745855 0.073616 H\n0.658073 0.969401 0.128543 H\n0.658072 0.469401 0.128543 H\n0.659316 0.245855 0.073616 H\n0.145377 0.869588 0.220257 H\n0.159577 0.145465 0.167351 H\n0.159577 0.645465 0.167351 H\n0.145377 0.369588 0.220257 H\n0.503705 0.840762 0.098372 C\n0.503705 0.340762 0.098372 C\n0.306159 0.776613 0.198238 C\n0.306159 0.276613 0.198238 C\n0.513596 0.763566 0.309558 C\n0.513595 0.263566 0.309558 C\n0.342862 0.711028 0.418813 C\n0.579465 0.709448 0.523117 C\n0.579465 0.209449 0.523117 C\n0.329898 0.861774 0.982906 C\n0.329898 0.361774 0.982906 C\n0.464088 0.657254 0.640811 C\n0.464087 0.157254 0.640811 C\n0.342861 0.211029 0.418813 C\n0.657579 0.214098 0.733134 O\n0.204928 0.056483 0.646006 O\n0.204929 0.556482 0.646006 O\n0.453669 0.475602 0.916288 O\n0.453670 0.975602 0.916288 O\n0.059453 0.268122 0.952427 O\n0.059453 0.768122 0.952427 O\n0.657580 0.714097 0.733134 O\n","nsites":44,"nelements":4,"elements":["Ca","H","C","O"],"chemical_system":"C-Ca-H-O","density":1.7897878127976212,"density_atomic":0.11962059767186516,"volume":367.82962847834716,"volume_molar":5.0343677236252535,"formula_full":"Ca2 H20 C14 O8","formula_reduced":"CaH10C7O4","formula_anonymous":"AB4C7D10","energy_above_hull":4.423175655454545,"spacegroup":1},{"id":"jvasp-104154","created_at":"2022-09-04T14:36:51.691836Z","updated_at":"2022-09-04T14:36:51.691856Z","structure_string":"H16 C24 S2 O2\n1.0\n3.677541 0.049104 0.788650\n1.187031 10.394410 -3.484951\n-0.098882 -0.162137 11.063436\nH C S O\n16 24 2 2\ndirect\n0.801447 0.850736 0.992185 H\n0.294520 0.618315 0.381065 H\n0.794368 0.618280 0.881064 H\n0.973553 0.780388 0.336668 H\n0.454127 0.546288 0.727762 H\n0.954271 0.546293 0.227748 H\n0.770634 0.968307 0.717837 H\n0.270417 0.968350 0.217775 H\n0.473503 0.780375 0.836696 H\n0.828986 0.418309 0.779893 H\n0.532470 0.171142 0.187056 H\n0.032683 0.171111 0.687055 H\n0.430516 0.017008 0.651449 H\n0.930156 0.017007 0.151424 H\n0.301706 0.850760 0.492196 H\n0.328876 0.418347 0.279910 H\n0.901791 0.831176 0.170385 C\n0.401920 0.831179 0.670405 C\n0.887268 0.562797 0.043787 C\n0.387272 0.562812 0.543793 C\n0.298212 0.056329 0.862405 C\n0.336137 0.783544 0.543743 C\n0.835967 0.783525 0.043730 C\n0.829524 0.652171 0.981501 C\n0.329631 0.652196 0.481507 C\n0.424213 0.612514 0.674720 C\n0.798036 0.056332 0.362379 C\n0.924263 0.612512 0.174706 C\n0.436885 0.424225 0.468694 C\n0.933803 0.744200 0.236823 C\n0.474865 0.970170 0.721143 C\n0.974637 0.970178 0.221111 C\n0.631896 0.184692 0.379413 C\n0.132035 0.184680 0.879426 C\n0.936934 0.424208 0.968693 C\n0.415137 0.365460 0.338406 C\n0.915240 0.365433 0.838400 C\n0.527466 0.231563 0.287795 C\n0.027621 0.231539 0.787797 C\n0.433808 0.744197 0.736844 C\n0.082057 0.309337 0.029793 S\n0.582005 0.309341 0.529780 S\n0.329838 0.024056 0.957764 O\n0.829676 0.024047 0.457730 O\n","nsites":44,"nelements":4,"elements":["H","C","S","O"],"chemical_system":"C-H-O-S","density":1.5802479587186116,"density_atomic":0.10454724436196891,"volume":420.8623600604996,"volume_molar":5.760209938341206,"formula_full":"H16 C24 S2 O2","formula_reduced":"H8C12SO","formula_anonymous":"ABC8D12","energy_above_hull":5.615945613636363,"spacegroup":1},{"id":"jvasp-30780","created_at":"2022-09-04T14:38:04.891847Z","updated_at":"2022-09-04T14:38:04.891862Z","structure_string":"Mg4 Ti12 O28\n1.0\n5.459642 0.000000 -0.000000\n0.000000 10.396875 0.000000\n-0.000000 0.000000 9.926486\nMg Ti O\n4 12 28\ndirect\n0.620150 0.750000 0.937100 Mg\n0.120150 0.250000 0.562901 Mg\n0.379849 0.250000 0.062900 Mg\n0.879849 0.750000 0.437100 Mg\n0.736030 0.970687 0.686341 Ti\n0.263970 0.470687 0.313659 Ti\n0.763970 0.529314 0.186341 Ti\n0.225140 0.750000 0.713286 Ti\n0.725140 0.250000 0.786715 Ti\n0.236030 0.029313 0.813659 Ti\n0.274859 0.750000 0.213285 Ti\n0.236030 0.470687 0.813659 Ti\n0.736030 0.529314 0.686341 Ti\n0.763970 0.970687 0.186341 Ti\n0.263970 0.029313 0.313659 Ti\n0.774859 0.250000 0.286715 Ti\n0.001637 0.616863 0.775477 O\n0.200508 0.750000 0.541733 O\n0.700508 0.250000 0.958267 O\n0.799491 0.250000 0.458267 O\n0.299491 0.750000 0.041733 O\n0.760736 0.906554 0.028834 O\n0.739264 0.593447 0.528835 O\n0.260736 0.093447 0.471166 O\n0.760736 0.593447 0.028834 O\n0.260736 0.406553 0.471166 O\n0.501637 0.383137 0.724523 O\n0.239264 0.406553 0.971166 O\n0.998363 0.116863 0.224523 O\n0.525668 0.122774 0.217321 O\n0.998363 0.383137 0.224523 O\n0.498363 0.616863 0.275477 O\n0.001637 0.883137 0.775477 O\n0.501637 0.116863 0.724523 O\n0.474331 0.622774 0.782680 O\n0.974331 0.377226 0.717321 O\n0.239264 0.093447 0.971166 O\n0.025669 0.877227 0.282679 O\n0.525668 0.377226 0.217321 O\n0.025669 0.622774 0.282679 O\n0.474331 0.877227 0.782680 O\n0.974331 0.122774 0.717321 O\n0.498363 0.883137 0.275477 O\n0.739264 0.906554 0.528835 O\n","nsites":44,"nelements":3,"elements":["Mg","Ti","O"],"chemical_system":"Mg-O-Ti","density":3.299531335042297,"density_atomic":0.07808905252976002,"volume":563.459263169206,"volume_molar":7.7118886257519135,"formula_full":"Mg4 Ti12 O28","formula_reduced":"MgTi3O7","formula_anonymous":"AB3C7","energy_above_hull":2.743861686363636,"spacegroup":62},{"id":"jvasp-61405","created_at":"2022-09-04T14:36:13.218424Z","updated_at":"2022-09-04T14:36:13.218449Z","structure_string":"Ca4 Al8 Cl32\n1.0\n-5.667272 5.667272 9.674580\n5.667272 -5.667272 9.674580\n5.667272 5.667272 -9.674580\nCa Al Cl\n4 8 32\ndirect\n0.375000 0.625000 0.250000 Ca\n0.875000 0.125000 0.250000 Ca\n0.125000 0.875000 0.750000 Ca\n0.625000 0.375000 0.750000 Ca\n0.250000 0.774509 0.024509 Al\n0.750000 0.725491 0.475491 Al\n0.225491 0.250000 0.975491 Al\n0.774509 0.750000 0.024509 Al\n0.750000 0.225491 0.975491 Al\n0.250000 0.274509 0.524509 Al\n0.274509 0.750000 0.524509 Al\n0.725491 0.250000 0.475491 Al\n0.131515 0.099031 0.714416 Cl\n0.368485 0.582902 0.467516 Cl\n0.400969 0.368485 0.785583 Cl\n0.582901 0.115386 0.714416 Cl\n0.384614 0.917098 0.785583 Cl\n0.099031 0.384614 0.467516 Cl\n0.615385 0.082902 0.214416 Cl\n0.884614 0.599031 0.967516 Cl\n0.631515 0.417098 0.532484 Cl\n0.599031 0.631515 0.214416 Cl\n0.417098 0.884614 0.285584 Cl\n0.115386 0.400969 0.032484 Cl\n0.868485 0.900969 0.285584 Cl\n0.917098 0.131515 0.032484 Cl\n0.309301 0.751620 0.882495 Cl\n0.748380 0.190699 0.617505 Cl\n0.751620 0.869125 0.942318 Cl\n0.926806 0.309301 0.557681 Cl\n0.190699 0.573194 0.942318 Cl\n0.630875 0.748380 0.557681 Cl\n0.900969 0.615386 0.532484 Cl\n0.573194 0.630875 0.882495 Cl\n0.690699 0.248380 0.117505 Cl\n0.130875 0.073194 0.382495 Cl\n0.248380 0.130875 0.057681 Cl\n0.073194 0.690699 0.442319 Cl\n0.809301 0.426806 0.057681 Cl\n0.369125 0.251620 0.442319 Cl\n0.251620 0.809301 0.382495 Cl\n0.426806 0.369125 0.117505 Cl\n0.869125 0.926806 0.617505 Cl\n0.082902 0.868485 0.967516 Cl\n","nsites":44,"nelements":3,"elements":["Ca","Al","Cl"],"chemical_system":"Al-Ca-Cl","density":2.018253389514176,"density_atomic":0.03540074900449885,"volume":1242.9115551879518,"volume_molar":17.011337130846258,"formula_full":"Ca4 Al8 Cl32","formula_reduced":"Ca(AlCl4)2","formula_anonymous":"AB2C8","energy_above_hull":0.2423507781818182,"spacegroup":142},{"id":"jvasp-33593","created_at":"2022-09-04T14:38:05.308941Z","updated_at":"2022-09-04T14:38:05.308951Z","structure_string":"Mo2 Pd2 H24 N8 O8\n1.0\n-3.732566 3.732770 7.773051\n3.732566 -3.732273 7.772812\n3.732566 3.732273 -7.772812\nMo Pd H N O\n2 2 24 8 8\ndirect\n0.875001 0.124999 0.750002 Mo\n0.124999 0.875002 0.249998 Mo\n0.375000 0.625001 0.750000 Pd\n0.625000 0.374999 0.250000 Pd\n0.014126 0.708348 0.528781 H\n0.679568 0.708347 0.194224 H\n0.708347 0.014119 0.028777 H\n0.485347 0.014122 0.805778 H\n0.679568 0.485345 0.971221 H\n0.708347 0.679569 0.694227 H\n0.485347 0.679569 0.471224 H\n0.985874 0.291653 0.471220 H\n0.320432 0.291653 0.805777 H\n0.291653 0.985881 0.971223 H\n0.014126 0.485346 0.305779 H\n0.985874 0.514655 0.694221 H\n0.514653 0.985878 0.194223 H\n0.309483 0.249644 0.440166 H\n0.249646 0.309480 0.940168 H\n0.869317 0.309478 0.559838 H\n0.309483 0.869317 0.059841 H\n0.750354 0.690521 0.059832 H\n0.690517 0.750357 0.559835 H\n0.130683 0.690522 0.440162 H\n0.690517 0.130683 0.940160 H\n0.514653 0.320431 0.528776 H\n0.291653 0.320432 0.305774 H\n0.320432 0.514656 0.028780 H\n0.651535 0.625605 0.025932 N\n0.099671 0.625604 0.474068 N\n0.625602 0.099669 0.974065 N\n0.625602 0.651536 0.525933 N\n0.348465 0.374396 0.974069 N\n0.900329 0.374397 0.525932 N\n0.374398 0.348464 0.474067 N\n0.374398 0.900331 0.025936 N\n0.255362 0.809496 0.445868 O\n0.190503 0.136368 0.445862 O\n0.136360 0.190503 0.945858 O\n0.744638 0.190505 0.554133 O\n0.190504 0.744642 0.054136 O\n0.809496 0.863632 0.554139 O\n0.863640 0.809498 0.054143 O\n0.809496 0.255359 0.945864 O\n","nsites":44,"nelements":5,"elements":["Mo","Pd","H","N","O"],"chemical_system":"H-Mo-N-O-Pd","density":2.5644497117969025,"density_atomic":0.10157761963830658,"volume":433.1662836427295,"volume_molar":5.9286098467786426,"formula_full":"Mo2 Pd2 H24 N8 O8","formula_reduced":"MoH12Pd(NO)4","formula_anonymous":"ABC4D4E12","energy_above_hull":3.937720845454545,"spacegroup":141},{"id":"jvasp-87189","created_at":"2022-09-04T14:35:45.418599Z","updated_at":"2022-09-04T14:35:45.418629Z","structure_string":"Sr2 Fe6 P8 O28\n1.0\n6.986202 0.000000 -2.839092\n0.000000 7.688302 0.000000\n0.045940 0.000000 9.679532\nSr Fe P O\n2 6 8 28\ndirect\n0.500000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Sr\n0.819123 0.129500 0.472656 Fe\n0.819123 0.370499 0.972656 Fe\n0.180877 0.870499 0.527344 Fe\n0.000000 0.000000 0.000000 Fe\n0.180877 0.629500 0.027344 Fe\n-0.000000 0.500000 0.500000 Fe\n0.598073 0.058363 0.700044 P\n0.401926 0.558363 0.799956 P\n0.401926 0.941637 0.299956 P\n0.598073 0.441637 0.200044 P\n0.116588 0.293839 0.807095 P\n0.883412 0.706160 0.192905 P\n0.116588 0.206160 0.307095 P\n0.883412 0.793839 0.692904 P\n-0.007571 0.784985 0.861716 O\n0.028682 0.422090 0.884905 O\n0.028682 0.077910 0.384905 O\n0.971317 0.577908 0.115095 O\n0.007571 0.284985 0.638284 O\n0.971317 0.922090 0.615095 O\n0.840508 0.620443 0.610989 O\n0.394553 0.017638 0.688212 O\n0.159492 0.120443 0.889011 O\n0.159492 0.379557 0.389011 O\n0.840508 0.879557 0.110989 O\n0.279423 0.612244 0.637584 O\n0.720577 0.112244 0.862416 O\n0.720577 0.387756 0.362416 O\n0.279423 0.887755 0.137584 O\n0.622422 0.183997 0.587123 O\n0.007571 0.215015 0.138284 O\n0.377577 0.683997 0.912876 O\n0.622422 0.316002 0.087124 O\n0.677442 0.869571 0.675504 O\n0.322557 0.369571 0.824495 O\n0.322557 0.130428 0.324496 O\n0.677442 0.630428 0.175504 O\n0.394553 0.482362 0.188212 O\n0.605447 0.982362 0.311788 O\n0.605447 0.517638 0.811788 O\n0.377578 0.816002 0.412876 O\n-0.007571 0.715014 0.361716 O\n","nsites":44,"nelements":4,"elements":["Sr","Fe","P","O"],"chemical_system":"Fe-O-P-Sr","density":3.844710381121423,"density_atomic":0.08446755178343023,"volume":520.91008998122,"volume_molar":7.129531557207211,"formula_full":"Sr2 Fe6 P8 O28","formula_reduced":"SrFe3(P2O7)2","formula_anonymous":"AB3C4D14","energy_above_hull":3.101226536818182,"spacegroup":14},{"id":"jvasp-98117","created_at":"2022-09-04T14:36:18.206278Z","updated_at":"2022-09-04T14:36:18.206304Z","structure_string":"Co4 Bi8 S4 O28\n1.0\n5.393845 0.000000 0.000000\n0.000000 7.152484 0.000000\n0.000000 0.000000 15.827048\nCo Bi S O\n4 8 4 28\ndirect\n0.250000 0.948236 0.674250 Co\n0.250000 0.051764 0.174250 Co\n0.750001 0.051764 0.325750 Co\n0.750001 0.948236 0.825750 Co\n0.750001 0.826562 0.519157 Bi\n0.750001 0.234590 0.658677 Bi\n0.250000 0.234590 0.841323 Bi\n0.750001 0.765409 0.158677 Bi\n0.750001 0.173438 0.019157 Bi\n0.250000 0.765409 0.341323 Bi\n0.250000 0.826562 0.980843 Bi\n0.250000 0.173438 0.480843 Bi\n0.750001 0.590600 0.887319 S\n0.250000 0.409399 0.112681 S\n0.250000 0.590600 0.612681 S\n0.750001 0.409399 0.387319 S\n0.502558 0.955341 0.082410 O\n0.497443 0.044658 0.917590 O\n0.997444 0.955341 0.082410 O\n0.250000 0.386714 0.018896 O\n0.472550 0.314854 0.150280 O\n0.000000 0.918384 0.250000 O\n0.750001 0.387708 0.864630 O\n0.750001 0.613285 0.981104 O\n0.250000 0.612292 0.135370 O\n0.972550 0.314854 0.349720 O\n0.750001 0.386714 0.481104 O\n0.527451 0.314854 0.349720 O\n0.250000 0.613285 0.518896 O\n0.527451 0.685145 0.849721 O\n0.972550 0.685145 0.849721 O\n0.497443 0.955341 0.417590 O\n0.500000 0.081615 0.750000 O\n0.502558 0.044658 0.582411 O\n0.002557 0.955341 0.417590 O\n0.997444 0.044658 0.582411 O\n0.002557 0.044658 0.917590 O\n0.472550 0.685145 0.650280 O\n0.500000 0.918384 0.250000 O\n0.750001 0.612292 0.364630 O\n0.027451 0.685145 0.650280 O\n0.027451 0.314854 0.150280 O\n0.000000 0.081615 0.750000 O\n0.250000 0.387708 0.635370 O\n","nsites":44,"nelements":4,"elements":["Co","Bi","S","O"],"chemical_system":"Bi-Co-O-S","density":6.754820257974754,"density_atomic":0.07206052134228097,"volume":610.5978583058534,"volume_molar":8.357059660164508,"formula_full":"Co4 Bi8 S4 O28","formula_reduced":"CoBi2SO7","formula_anonymous":"ABC2D7","energy_above_hull":2.502940363636363,"spacegroup":57},{"id":"jvasp-91243","created_at":"2022-09-04T14:36:08.689423Z","updated_at":"2022-09-04T14:36:08.689445Z","structure_string":"Sr4 Zr4 Si8 O28\n1.0\n7.253854 0.000000 -2.918414\n0.000000 8.115250 0.000000\n0.011966 0.000000 10.167016\nSr Zr Si O\n4 4 8 28\ndirect\n0.283417 0.482158 0.294687 Sr\n0.716583 0.982158 0.205313 Sr\n0.283417 0.017842 0.794687 Sr\n0.716583 0.517842 0.705314 Sr\n0.256709 0.489202 0.744792 Zr\n0.743292 0.989202 0.755209 Zr\n0.743291 0.510798 0.255209 Zr\n0.256708 0.010798 0.244792 Zr\n0.066212 0.246929 0.458529 Si\n0.933788 0.746929 0.041471 Si\n0.933788 0.753071 0.541472 Si\n0.675196 0.213394 0.461201 Si\n0.324804 0.713394 0.038800 Si\n0.324804 0.786606 0.538800 Si\n0.675196 0.286606 0.961201 Si\n0.066212 0.253071 0.958529 Si\n0.807886 0.731281 0.374172 O\n0.012241 0.078520 0.870797 O\n0.987759 0.578520 0.629204 O\n0.987759 0.921480 0.129204 O\n0.012241 0.421480 0.370797 O\n0.192113 0.231281 0.125828 O\n0.631121 0.093739 0.906589 O\n0.868370 0.345907 0.939342 O\n0.368879 0.593739 0.593412 O\n0.368879 0.906261 0.093412 O\n0.631121 0.406261 0.406589 O\n0.695847 0.293487 0.126816 O\n0.304152 0.793487 0.373185 O\n0.304152 0.706513 0.873185 O\n0.695848 0.206513 0.626816 O\n0.525164 0.409521 0.850463 O\n0.192113 0.268719 0.625829 O\n0.474836 0.909521 0.649538 O\n0.525164 0.090479 0.350463 O\n0.172831 0.366613 0.882129 O\n0.827169 0.866613 0.617872 O\n0.827169 0.633387 0.117872 O\n0.172831 0.133387 0.382128 O\n0.868370 0.154093 0.439342 O\n0.131630 0.654093 0.060658 O\n0.131630 0.845907 0.560658 O\n0.474836 0.590479 0.149538 O\n0.807887 0.768719 0.874172 O\n","nsites":44,"nelements":4,"elements":["Sr","Zr","Si","O"],"chemical_system":"O-Si-Sr-Zr","density":3.849304466145516,"density_atomic":0.07348232004410067,"volume":598.7834893290419,"volume_molar":8.195360130689656,"formula_full":"Sr4 Zr4 Si8 O28","formula_reduced":"SrZrSi2O7","formula_anonymous":"ABC2D7","energy_above_hull":2.6598829554545453,"spacegroup":14},{"id":"jvasp-30787","created_at":"2022-09-04T14:38:36.800868Z","updated_at":"2022-09-04T14:38:36.800892Z","structure_string":"Mg4 V12 O28\n1.0\n5.267702 -0.000000 -0.000000\n-0.000000 10.111882 0.000000\n0.000001 -0.000000 10.058089\nMg V O\n4 12 28\ndirect\n0.651545 0.750000 0.919914 Mg\n0.151544 0.250000 0.580085 Mg\n0.348454 0.250000 0.080086 Mg\n0.848455 0.750000 0.419915 Mg\n0.713103 0.973358 0.681438 V\n0.286897 0.473358 0.318562 V\n0.786897 0.526641 0.181438 V\n0.204081 0.750000 0.712232 V\n0.704081 0.250000 0.787769 V\n0.213102 0.026641 0.818562 V\n0.295919 0.750000 0.212231 V\n0.213102 0.473358 0.818562 V\n0.713103 0.526641 0.681438 V\n0.786897 0.973358 0.181438 V\n0.286897 0.026641 0.318562 V\n0.795919 0.250000 0.287769 V\n0.972938 0.618611 0.782688 O\n0.183371 0.750000 0.548331 O\n0.683369 0.250000 0.951670 O\n0.816629 0.250000 0.451669 O\n0.316631 0.750000 0.048330 O\n0.772769 0.907411 0.031237 O\n0.727230 0.592588 0.531237 O\n0.272770 0.092588 0.468763 O\n0.772769 0.592588 0.031237 O\n0.272770 0.407411 0.468763 O\n0.472937 0.381388 0.717313 O\n0.227231 0.407411 0.968763 O\n0.027062 0.118612 0.217312 O\n0.547169 0.121189 0.214246 O\n0.027062 0.381388 0.217312 O\n0.527062 0.618611 0.282687 O\n0.972938 0.881388 0.782688 O\n0.472937 0.118612 0.717313 O\n0.452831 0.621189 0.785754 O\n0.952831 0.378811 0.714247 O\n0.227231 0.092588 0.968763 O\n0.047169 0.878811 0.285753 O\n0.547169 0.378811 0.214246 O\n0.047169 0.621189 0.285753 O\n0.452831 0.878811 0.785754 O\n0.952831 0.121189 0.714247 O\n0.527062 0.881388 0.282687 O\n0.727230 0.907411 0.531237 O\n","nsites":44,"nelements":3,"elements":["Mg","V","O"],"chemical_system":"Mg-O-V","density":3.584482955015592,"density_atomic":0.082126631622424,"volume":535.7580011595917,"volume_molar":7.332750218816601,"formula_full":"Mg4 V12 O28","formula_reduced":"MgV3O7","formula_anonymous":"AB3C7","energy_above_hull":2.9667787409090907,"spacegroup":62},{"id":"jvasp-87905","created_at":"2022-09-04T14:35:56.139555Z","updated_at":"2022-09-04T14:35:56.139574Z","structure_string":"Ca2 Ni6 P8 O28\n1.0\n6.798103 0.000000 -2.742950\n0.000000 7.598341 0.000000\n-0.000646 0.000000 9.429043\nCa Ni P O\n2 6 8 28\ndirect\n0.500000 0.000000 -0.000000 Ca\n0.499999 0.500000 0.500000 Ca\n-0.000000 0.500000 0.500000 Ni\n0.184332 0.872500 0.524605 Ni\n0.000000 0.000000 0.000000 Ni\n0.815667 0.127500 0.475394 Ni\n0.184332 0.627500 0.024605 Ni\n0.815667 0.372500 0.975394 Ni\n0.595198 0.067843 0.702894 P\n0.404801 0.932157 0.297105 P\n0.595199 0.432157 0.202894 P\n0.404800 0.567842 0.797105 P\n0.119559 0.295179 0.808530 P\n0.119560 0.204821 0.308530 P\n0.880440 0.704821 0.191470 P\n0.880439 0.795179 0.691469 P\n0.972342 0.925275 0.612869 O\n0.027657 0.425275 0.887130 O\n0.027657 0.074725 0.387130 O\n0.972342 0.574725 0.112870 O\n0.008672 0.286499 0.634934 O\n0.991326 0.786499 0.865065 O\n0.830096 0.620891 0.605719 O\n0.388257 0.027181 0.695394 O\n0.169903 0.120891 0.894280 O\n0.169903 0.379109 0.394281 O\n0.830096 0.879109 0.105719 O\n0.273793 0.620400 0.629717 O\n0.726206 0.120401 0.870282 O\n0.726206 0.379599 0.370282 O\n0.273793 0.879599 0.129717 O\n0.619109 0.195648 0.586784 O\n0.008673 0.213501 0.134934 O\n0.380890 0.695648 0.913215 O\n0.619109 0.304351 0.086785 O\n0.672790 0.878017 0.675391 O\n0.327209 0.378018 0.824608 O\n0.327209 0.121982 0.324609 O\n0.672790 0.621982 0.175391 O\n0.388257 0.472819 0.195394 O\n0.611742 0.972819 0.304605 O\n0.611742 0.527181 0.804605 O\n0.380890 0.804351 0.413215 O\n0.991327 0.713501 0.365066 O\n","nsites":44,"nelements":4,"elements":["Ca","Ni","P","O"],"chemical_system":"Ca-Ni-O-P","density":3.846188799016737,"density_atomic":0.09034217569784588,"volume":487.0371967480648,"volume_molar":6.665923986756047,"formula_full":"Ca2 Ni6 P8 O28","formula_reduced":"CaNi3(P2O7)2","formula_anonymous":"AB3C4D14","energy_above_hull":2.69801221,"spacegroup":14},{"id":"jvasp-59828","created_at":"2022-09-04T14:38:35.943637Z","updated_at":"2022-09-04T14:38:35.943651Z","structure_string":"Zn4 Ni4 P8 O28\n1.0\n0.000000 6.996563 0.028727\n8.352937 0.000000 0.000000\n0.000000 -3.608204 -8.270894\nZn Ni P O\n4 4 8 28\ndirect\n0.699789 0.945419 0.822884 Zn\n0.300211 0.445418 0.677115 Zn\n0.699788 0.554582 0.322885 Zn\n0.300211 0.054582 0.177115 Zn\n0.228587 0.074786 0.610022 Ni\n0.771412 0.925214 0.389977 Ni\n0.771413 0.574786 0.889977 Ni\n0.228587 0.425214 0.110022 Ni\n0.942557 0.269070 0.761912 P\n0.472559 0.728401 0.532293 P\n0.942557 0.230930 0.261912 P\n0.472559 0.771599 0.032294 P\n0.057443 0.769070 0.738087 P\n0.527441 0.228401 0.967706 P\n0.057442 0.730930 0.238087 P\n0.527440 0.271599 0.467706 P\n0.898337 0.112877 0.825361 O\n0.118778 0.240132 0.201072 O\n0.521950 0.908930 0.155961 O\n0.369188 0.236084 0.046572 O\n0.630811 0.763916 0.953427 O\n0.478050 0.408930 0.344039 O\n0.521950 0.591071 0.655960 O\n0.898337 0.387123 0.325361 O\n0.881222 0.740132 0.298928 O\n0.553354 0.108988 0.398954 O\n0.019340 0.589989 0.119628 O\n0.446645 0.891012 0.601046 O\n0.744932 0.326132 0.603996 O\n0.980659 0.089989 0.380372 O\n0.881222 0.759868 0.798927 O\n0.980659 0.410011 0.880372 O\n0.019341 0.910011 0.619627 O\n0.369189 0.263916 0.546572 O\n0.478050 0.091071 0.844039 O\n0.446645 0.608988 0.101046 O\n0.630811 0.736084 0.453427 O\n0.255068 0.826132 0.896003 O\n0.553355 0.391012 0.898953 O\n0.101663 0.887124 0.174639 O\n0.101663 0.612877 0.674638 O\n0.744932 0.173869 0.103996 O\n0.118778 0.259868 0.701072 O\n0.255068 0.673869 0.396004 O\n","nsites":44,"nelements":4,"elements":["Zn","Ni","P","O"],"chemical_system":"Ni-O-P-Zn","density":4.102930687949003,"density_atomic":0.09119160774767687,"volume":482.5005402004321,"volume_molar":6.603832204234184,"formula_full":"Zn4 Ni4 P8 O28","formula_reduced":"ZnNiP2O7","formula_anonymous":"ABC2D7","energy_above_hull":2.2780243909090907,"spacegroup":14}]}