{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=spacegroup&page=490","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=spacegroup&page=488","results":[{"id":"jvasp-38524","created_at":"2022-09-04T14:38:01.176673Z","updated_at":"2022-09-04T14:38:01.176691Z","structure_string":"K1 Ti5 Se8\n1.0\n0.000000 3.602356 0.000000\n-2.257801 0.000000 8.857371\n9.429486 -1.801178 -0.025269\nK Ti Se\n1 5 8\ndirect\n0.500000 0.500000 0.000000 K\n0.000000 0.000000 0.000000 Ti\n0.653479 0.994899 0.306961 Ti\n0.708349 0.348983 0.416700 Ti\n0.291651 0.651017 0.583300 Ti\n0.346520 0.005101 0.693040 Ti\n0.573504 0.176058 0.147011 Se\n0.085915 0.816152 0.171829 Se\n0.160778 0.500098 0.321556 Se\n0.241682 0.162123 0.483364 Se\n0.758317 0.837878 0.516636 Se\n0.839221 0.499901 0.678445 Se\n0.914085 0.183849 0.828172 Se\n0.426495 0.823942 0.852989 Se\n","nsites":14,"nelements":3,"elements":["K","Ti","Se"],"chemical_system":"K-Se-Ti","density":5.026455461123063,"density_atomic":0.046563467701988596,"volume":300.6648922627835,"volume_molar":12.933187877119407,"formula_full":"K1 Ti5 Se8","formula_reduced":"KTi5Se8","formula_anonymous":"AB5C8","energy_above_hull":2.499941185714285,"spacegroup":12},{"id":"jvasp-36837","created_at":"2022-09-04T14:38:01.448399Z","updated_at":"2022-09-04T14:38:01.448429Z","structure_string":"Sr2 Au2 O4\n1.0\n-1.941260 3.075204 0.000679\n-4.894768 -3.083929 -1.938394\n-0.001538 0.003204 6.101372\nSr Au O\n2 2 4\ndirect\n0.000000 0.500000 0.000000 Sr\n-0.000000 0.000000 0.500000 Sr\n0.500000 0.000000 0.000000 Au\n0.499999 0.500001 0.500000 Au\n0.499999 0.293144 0.706857 O\n0.499999 0.706858 0.293144 O\n0.223554 0.248486 0.248486 O\n0.776444 0.751516 0.751515 O\n","nsites":8,"nelements":3,"elements":["Sr","Au","O"],"chemical_system":"Au-O-Sr","density":8.190769707965016,"density_atomic":0.062322486079456715,"volume":128.3645840090617,"volume_molar":9.662869918767685,"formula_full":"Sr2 Au2 O4","formula_reduced":"SrAuO2","formula_anonymous":"ABC2","energy_above_hull":0.7370052199999999,"spacegroup":12},{"id":"jvasp-109341","created_at":"2022-09-04T14:38:01.526882Z","updated_at":"2022-09-04T14:38:01.526899Z","structure_string":"Y2 C2 Cl2\n1.0\n3.895475 0.016449 0.331775\n2.096853 3.283017 0.331775\n-0.002456 -0.001352 9.335094\nY C Cl\n2 2 2\ndirect\n0.855467 0.855471 0.159845 Y\n0.144529 0.144531 0.840156 Y\n0.573202 0.573204 0.041812 C\n0.426794 0.426798 0.958189 C\n0.823310 0.823315 0.657305 Cl\n0.176686 0.176687 0.342696 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O\n","nsites":9,"nelements":3,"elements":["Mn","Co","O"],"chemical_system":"Co-Mn-O","density":4.887170763724499,"density_atomic":0.10002846895348487,"volume":89.9743852341194,"volume_molar":6.0204268074925835,"formula_full":"Mn2 Co1 O6","formula_reduced":"Mn2CoO6","formula_anonymous":"AB2C6","energy_above_hull":3.3013784869731806,"spacegroup":12},{"id":"jvasp-32387","created_at":"2022-09-04T14:38:01.381744Z","updated_at":"2022-09-04T14:38:01.381773Z","structure_string":"Co1 H12 Br2 O6\n1.0\n6.476001 -0.013973 -0.677738\n-3.022173 4.958711 -2.945467\n0.099597 -0.153751 6.717040\nCo H Br O\n1 12 2 6\ndirect\n0.000000 0.000000 0.000000 Co\n0.727033 0.439958 0.166990 H\n0.272968 0.560042 0.833010 H\n0.689994 0.016529 0.234905 H\n0.781624 0.455091 0.765095 H\n0.310007 0.983471 0.765094 H\n0.218377 0.544910 0.234905 H\n0.802803 0.859190 0.278981 H\n0.580209 0.523821 0.721018 H\n0.187849 0.356916 0.544764 H\n0.197198 0.140810 0.721018 H\n0.419792 0.476179 0.278982 H\n0.812152 0.643084 0.455236 H\n0.713949 0.105666 0.819614 Br\n0.286052 0.894334 0.180386 Br\n0.712192 0.586646 0.298836 O\n0.287809 0.413355 0.701164 O\n0.839092 0.009173 0.253515 O\n0.755658 0.585577 0.746485 O\n0.160909 -0.009172 0.746485 O\n0.244343 0.414423 0.253515 O\n","nsites":21,"nelements":4,"elements":["Co","H","Br","O"],"chemical_system":"Br-Co-H-O","density":2.553860027622904,"density_atomic":0.09881925006257336,"volume":212.50920227286267,"volume_molar":6.094096804202337,"formula_full":"Co1 H12 Br2 O6","formula_reduced":"CoH12(BrO3)2","formula_anonymous":"AB2C6D12","energy_above_hull":2.8812938147619045,"spacegroup":12},{"id":"jvasp-29543","created_at":"2022-09-04T14:38:01.590556Z","updated_at":"2022-09-04T14:38:01.590583Z","structure_string":"Cd2 Sb4 Se6 Br4\n1.0\n4.028155 -0.000000 0.700091\n1.297396 9.728539 4.473659\n0.025315 -0.011317 11.792903\nCd Sb Se Br\n2 4 6 4\ndirect\n0.350683 0.846438 0.452196 Cd\n0.649318 0.153562 0.547803 Cd\n0.046400 0.688081 0.219121 Sb\n0.953601 0.311919 0.780879 Sb\n0.704923 0.683667 0.906487 Sb\n0.295078 0.316333 0.093513 Sb\n0.460656 0.864109 0.214582 Se\n0.900274 0.172034 0.027421 Se\n0.539345 0.135891 0.785417 Se\n0.678201 0.503410 0.140192 Se\n0.099727 0.827966 0.972579 Se\n0.321800 0.496590 0.859808 Se\n0.101987 0.342103 0.453922 Br\n0.898014 0.657897 0.546078 Br\n0.213496 0.923419 0.649590 Br\n0.786505 0.076581 0.350410 Br\n","nsites":16,"nelements":4,"elements":["Cd","Sb","Se","Br"],"chemical_system":"Br-Cd-Sb-Se","density":5.408287678178538,"density_atomic":0.034619875054783415,"volume":462.16226877425675,"volume_molar":17.395038978247044,"formula_full":"Cd2 Sb4 Se6 Br4","formula_reduced":"CdSb2Se3Br2","formula_anonymous":"AB2C2D3","energy_above_hull":0.7118487825000002,"spacegroup":12},{"id":"jvasp-13817","created_at":"2022-09-04T14:38:01.490837Z","updated_at":"2022-09-04T14:38:01.490858Z","structure_string":"Nb2 Cl8\n1.0\n5.994122 -0.000000 3.345485\n2.788278 5.860152 2.046820\n0.009646 -0.070905 7.025308\nNb Cl\n2 8\ndirect\n0.220178 -0.000000 -0.000000 Nb\n0.779822 -0.000000 -0.000000 Nb\n0.691326 0.776120 0.841230 Cl\n0.308675 0.223879 0.158769 Cl\n0.780719 0.257224 0.181337 Cl\n0.219282 0.742775 0.818663 Cl\n0.723848 0.752824 0.310639 Cl\n0.787311 0.247174 0.689360 Cl\n0.276154 0.247174 0.689360 Cl\n0.212690 0.752824 0.310639 Cl\n","nsites":10,"nelements":2,"elements":["Nb","Cl"],"chemical_system":"Cl-Nb","density":3.1585824496715285,"density_atomic":0.0405196817576897,"volume":246.79364610513585,"volume_molar":14.862260755187538,"formula_full":"Nb2 Cl8","formula_reduced":"NbCl4","formula_anonymous":"AB4","energy_above_hull":0.992921134,"spacegroup":12},{"id":"jvasp-26175","created_at":"2022-09-04T14:38:01.623842Z","updated_at":"2022-09-04T14:38:01.623860Z","structure_string":"Tl2 Cr6 S10\n1.0\n3.501307 -0.000037 -0.000038\n-1.750592 9.683380 0.028923\n-1.750492 -3.261591 10.180538\nTl Cr S\n2 6 10\ndirect\n0.913998 0.654624 0.173398 Tl\n0.086004 0.345376 0.826601 Tl\n0.500000 -0.000000 -0.000000 Cr\n0.000001 0.500000 0.500000 Cr\n0.224323 0.060204 0.388447 Cr\n0.775678 0.939796 0.611552 Cr\n0.244688 0.263494 0.225878 Cr\n0.755314 0.736506 0.774121 Cr\n0.363062 0.107517 0.618618 S\n0.636939 0.892483 0.381382 S\n0.183175 0.758407 0.607932 S\n0.816827 0.241593 0.392068 S\n0.076348 0.000863 0.151824 S\n0.672297 0.264818 0.079780 S\n0.923653 -0.000863 0.848176 S\n0.429573 0.511292 0.347863 S\n0.327705 0.735182 0.920219 S\n0.570429 0.488708 0.652137 S\n","nsites":18,"nelements":3,"elements":["Tl","Cr","S"],"chemical_system":"Cr-S-Tl","density":5.005211822650687,"density_atomic":0.052099209263190026,"volume":345.4946870511843,"volume_molar":11.558986873635451,"formula_full":"Tl2 Cr6 S10","formula_reduced":"TlCr3S5","formula_anonymous":"AB3C5","energy_above_hull":2.9673672,"spacegroup":12},{"id":"jvasp-38045","created_at":"2022-09-04T14:38:01.722241Z","updated_at":"2022-09-04T14:38:01.722269Z","structure_string":"B2 C3 N6\n1.0\n-0.699949 -2.602386 0.000000\n-7.925132 3.526903 1.879296\n2.143668 -0.576571 -5.678942\nB C N\n2 3 6\ndirect\n0.094113 0.188224 0.011512 B\n0.905889 0.811775 -0.011513 B\n0.342583 0.685165 0.587978 C\n0.657419 0.314834 0.412021 C\n-0.000000 -0.000000 0.500000 C\n0.615733 0.231464 0.147934 N\n0.959281 0.918557 0.263552 N\n0.040721 0.081442 0.736447 N\n0.308668 0.617337 0.360790 N\n0.384269 0.768536 0.852065 N\n0.691333 0.382662 0.639208 N\n","nsites":11,"nelements":3,"elements":["B","C","N"],"chemical_system":"B-C-N","density":1.9623615684047018,"density_atomic":0.09174242965408305,"volume":119.90090126755693,"volume_molar":6.564182769855367,"formula_full":"B2 C3 N6","formula_reduced":"B2(CN2)3","formula_anonymous":"A2B3C6","energy_above_hull":6.377208606060607,"spacegroup":12},{"id":"jvasp-30302","created_at":"2022-09-04T14:38:01.773908Z","updated_at":"2022-09-04T14:38:01.773925Z","structure_string":"Mn5 Sb1 O12\n1.0\n5.102459 -0.003573 0.242507\n-2.565320 4.410696 0.242507\n0.427750 0.743020 8.968070\nMn Sb O\n5 1 12\ndirect\n0.166926 0.833076 0.500000 Mn\n0.333336 0.666665 0.000000 Mn\n0.500000 0.500001 0.500000 Mn\n0.666665 0.333337 0.000000 Mn\n0.833075 0.166926 0.500000 Mn\n0.000000 0.000000 0.000000 Sb\n0.798580 0.465421 0.604135 O\n0.534580 0.201421 0.395865 O\n0.868688 0.868688 0.394582 O\n0.687304 0.687304 0.889164 O\n0.312697 0.312697 0.110836 O\n0.201421 0.534581 0.395865 O\n0.465421 0.798580 0.604135 O\n0.613311 0.963004 0.110838 O\n0.386690 0.036997 0.889162 O\n0.963004 0.613311 0.110838 O\n0.131313 0.131313 0.605419 O\n0.036997 0.386690 0.889162 O\n","nsites":18,"nelements":3,"elements":["Mn","Sb","O"],"chemical_system":"Mn-O-Sb","density":4.88790619302299,"density_atomic":0.09004131950959654,"volume":199.90822100382005,"volume_molar":6.688196922034404,"formula_full":"Mn5 Sb1 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