HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nsites&page=4504",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nsites&page=4502",
"results": [
{
"id": "jvasp-117072",
"created_at": "2022-09-04T14:38:45.239564Z",
"updated_at": "2022-09-04T14:38:45.239593Z",
"structure_string": "Mn2 As4 F24\n1.0\n6.839208 0.052454 -6.293592\n-1.281763 6.718229 -6.293592\n-0.043055 -0.052454 9.294203\nMn As F\n2 4 24\ndirect\n0.750000 0.250000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.779354 0.779353 0.000000 As\n0.220647 0.220647 0.000000 As\n0.970647 0.470646 0.500000 As\n0.529353 0.029353 0.500000 As\n0.020996 0.914260 0.202251 F\n0.299883 0.107475 0.341694 F\n0.892525 0.234219 0.192408 F\n0.041811 0.700118 0.807592 F\n0.765781 0.958189 0.658306 F\n0.984219 0.142525 0.692408 F\n0.712008 0.818745 0.797750 F\n0.708189 0.015780 0.158306 F\n0.857475 0.549883 0.841694 F\n0.450117 0.291811 0.307592 F\n0.568746 0.962008 0.297750 F\n0.037992 0.335741 0.606736 F\n0.085740 0.287992 0.106736 F\n0.504227 0.117128 0.714833 F\n0.729004 0.431255 0.393264 F\n0.664260 0.270996 0.702251 F\n0.210606 0.495773 0.612901 F\n0.245773 0.460607 0.112901 F\n0.347704 0.132872 0.887099 F\n0.402296 0.789394 0.285168 F\n0.539393 0.652296 0.785167 F\n0.867129 0.754227 0.214833 F\n0.181255 0.979005 0.893264 F\n0.882872 0.597704 0.387099 F\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Mn",
"As",
"F"
],
"chemical_system": "As-F-Mn",
"density": 3.3962624595308557,
"density_atomic": 0.0708915061443666,
"volume": 423.18186806338514,
"volume_molar": 8.494869255191512,
"formula_full": "Mn2 As4 F24",
"formula_reduced": "MnAs2F12",
"formula_anonymous": "AB2C12",
"energy_above_hull": 0.4434522754252872,
"spacegroup": 122
},
{
"id": "jvasp-113247",
"created_at": "2022-09-04T14:38:45.743628Z",
"updated_at": "2022-09-04T14:38:45.743655Z",
"structure_string": "Na6 Co8 O16\n1.0\n2.877903 -0.000000 0.000000\n0.000000 9.799973 0.000000\n-0.000000 -0.000000 10.747050\nNa Co O\n6 8 16\ndirect\n-0.000000 0.353268 0.500000 Na\n-0.000000 0.695792 0.500000 Na\n-0.000000 0.006776 -0.000000 Na\n0.499999 0.646732 -0.000000 Na\n0.499999 0.993224 0.500000 Na\n0.499999 0.304208 -0.000000 Na\n0.499999 0.125759 0.753209 Co\n0.499999 0.125759 0.246791 Co\n0.499999 0.623809 0.255645 Co\n0.499999 0.623809 0.744355 Co\n-0.000000 0.376191 0.755645 Co\n-0.000000 0.874240 0.253209 Co\n-0.000000 0.874240 0.746792 Co\n-0.000000 0.376191 0.244355 Co\n0.499999 0.462793 0.843168 O\n0.499999 0.793487 0.348858 O\n0.499999 0.954646 0.161043 O\n0.499999 0.293014 0.665145 O\n0.499999 0.793487 0.651142 O\n0.499999 0.954646 0.838957 O\n-0.000000 0.045354 0.338957 O\n-0.000000 0.706986 0.834855 O\n-0.000000 0.045354 0.661043 O\n-0.000000 0.206513 0.151142 O\n-0.000000 0.537207 0.656832 O\n-0.000000 0.706986 0.165145 O\n-0.000000 0.206513 0.848858 O\n0.499999 0.462793 0.156832 O\n-0.000000 0.537207 0.343168 O\n0.499999 0.293014 0.334855 O\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Na",
"Co",
"O"
],
"chemical_system": "Co-Na-O",
"density": 4.741032862882538,
"density_atomic": 0.09897624064316493,
"volume": 303.1030457921492,
"volume_molar": 6.084430688483494,
"formula_full": "Na6 Co8 O16",
"formula_reduced": "Na3(CoO2)4",
"formula_anonymous": "A3B4C8",
"energy_above_hull": 2.4102925733333334,
"spacegroup": 59
},
{
"id": "jvasp-119272",
"created_at": "2022-09-04T14:38:48.638921Z",
"updated_at": "2022-09-04T14:38:48.638938Z",
"structure_string": "Li6 Co8 O16\n1.0\n5.652301 0.000035 0.000027\n-2.826189 4.667936 -1.635938\n-0.000047 0.009073 9.790443\nLi Co O\n6 8 16\ndirect\n0.249959 0.000000 0.750010 Li\n0.750069 -0.000019 0.249978 Li\n0.500001 -0.000040 -0.000007 Li\n0.000040 0.000039 0.500007 Li\n0.749957 -0.000002 0.749990 Li\n0.250087 0.000017 0.250021 Li\n0.500000 0.500010 0.500001 Co\n0.499991 0.499990 -0.000001 Co\n0.249998 0.500000 0.250000 Co\n0.249994 0.500000 0.750000 Co\n-0.000009 0.499995 0.000000 Co\n-0.000003 0.500006 0.500000 Co\n0.749991 0.499999 0.750000 Co\n0.749996 0.499999 0.250000 Co\n0.891634 0.288181 0.132183 O\n0.644093 0.288195 0.379732 O\n0.144083 0.288185 0.879729 O\n0.608357 0.711818 0.367817 O\n0.108348 0.711808 0.867819 O\n0.391638 0.288189 0.632182 O\n0.355899 0.711815 0.620271 O\n0.640690 0.281397 0.880233 O\n0.896539 0.288191 0.632180 O\n0.396537 0.288181 0.132183 O\n0.859294 0.718602 0.619766 O\n0.359292 0.718589 0.119764 O\n0.140702 0.281411 0.380236 O\n0.603449 0.711810 0.867818 O\n0.855899 0.711804 0.120268 O\n0.103454 0.711819 0.367817 O\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Li",
"Co",
"O"
],
"chemical_system": "Co-Li-O",
"density": 4.9423994657118735,
"density_atomic": 0.11609835951380792,
"volume": 258.40158401576736,
"volume_molar": 5.187102371833057,
"formula_full": "Li6 Co8 O16",
"formula_reduced": "Li3(CoO2)4",
"formula_anonymous": "A3B4C8",
"energy_above_hull": 2.7517127733333333,
"spacegroup": 166
},
{
"id": "jvasp-112565",
"created_at": "2022-09-04T14:38:40.784666Z",
"updated_at": "2022-09-04T14:38:40.784690Z",
"structure_string": "Zr18 Co4 P8\n1.0\n12.076764 -0.000000 0.000000\n0.000000 12.076764 0.000000\n-0.000000 -0.000000 3.665130\nZr Co P\n18 4 8\ndirect\n0.181152 0.105568 0.500000 Zr\n0.404280 0.095720 -0.000000 Zr\n0.595720 0.904280 -0.000000 Zr\n0.904280 0.404280 -0.000000 Zr\n0.500000 0.500000 -0.000000 Zr\n0.000000 0.000000 0.000000 Zr\n0.879215 0.620785 0.500000 Zr\n0.120785 0.379215 0.500000 Zr\n0.379215 0.879215 0.500000 Zr\n0.095720 0.595720 -0.000000 Zr\n0.394432 0.318848 0.500000 Zr\n0.605568 0.681152 0.500000 Zr\n0.318848 0.605568 0.500000 Zr\n0.894431 0.181152 0.500000 Zr\n0.681152 0.394432 0.500000 Zr\n0.105568 0.818848 0.500000 Zr\n0.818848 0.894431 0.500000 Zr\n0.620785 0.120785 0.500000 Zr\n0.749511 0.750489 -0.000000 Co\n0.250489 0.249511 -0.000000 Co\n0.249511 0.749511 -0.000000 Co\n0.750489 0.250489 -0.000000 Co\n0.725323 0.556434 -0.000000 P\n0.056434 0.225324 -0.000000 P\n0.943565 0.774676 -0.000000 P\n0.225324 0.943565 -0.000000 P\n0.556434 0.274676 -0.000000 P\n0.774676 0.056434 -0.000000 P\n0.443566 0.725323 -0.000000 P\n0.274676 0.443566 -0.000000 P\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Zr",
"Co",
"P"
],
"chemical_system": "Co-P-Zr",
"density": 6.6028415676510575,
"density_atomic": 0.05612168634047779,
"volume": 534.5527184980984,
"volume_molar": 10.73050571478735,
"formula_full": "Zr18 Co4 P8",
"formula_reduced": "Zr9(CoP2)2",
"formula_anonymous": "A2B4C9",
"energy_above_hull": 4.678681620000001,
"spacegroup": 127
},
{
"id": "jvasp-31717",
"created_at": "2022-09-04T14:38:35.944968Z",
"updated_at": "2022-09-04T14:38:35.944994Z",
"structure_string": "Nb1 W9 Se20\n1.0\n-0.337371 -5.789224 -0.000000\n-0.000000 0.000001 13.121472\n-8.187744 3.381611 0.000000\nNb W Se\n1 9 20\ndirect\n0.734816 0.750000 0.800027 Nb\n0.866545 0.250000 0.399968 W\n0.134597 0.750000 0.598257 W\n0.066511 0.250000 0.799976 W\n0.336365 0.750000 0.001790 W\n0.266553 0.250000 0.199983 W\n0.529463 0.750000 0.397164 W\n0.466571 0.250000 0.599986 W\n0.932323 0.750000 0.202885 W\n0.666560 0.250000 0.999965 W\n0.133258 0.122439 0.599992 Se\n0.462905 0.621194 0.595381 Se\n0.533139 0.122434 0.399935 Se\n0.533139 0.377566 0.399935 Se\n0.462905 0.878806 0.595381 Se\n0.263456 0.622498 0.198844 Se\n0.333240 0.122439 0.999959 Se\n0.333240 0.377561 0.999959 Se\n0.667551 0.878806 0.004669 Se\n0.733237 0.377652 0.799975 Se\n0.733237 0.122348 0.799975 Se\n0.667551 0.621193 0.004669 Se\n0.864631 0.877502 0.401202 Se\n0.933178 0.377566 0.200016 Se\n0.263456 0.877502 0.198844 Se\n0.864631 0.622498 0.401202 Se\n0.075248 0.878346 0.800022 Se\n0.133258 0.377561 0.599992 Se\n0.075248 0.621653 0.800022 Se\n0.933178 0.122434 0.200016 Se\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Nb",
"W",
"Se"
],
"chemical_system": "Nb-Se-W",
"density": 8.67285777036981,
"density_atomic": 0.047100458239526896,
"volume": 636.936478355191,
"volume_molar": 12.785737092778843,
"formula_full": "Nb1 W9 Se20",
"formula_reduced": "NbW9Se20",
"formula_anonymous": "AB9C20",
"energy_above_hull": 4.460204557777778,
"spacegroup": 38
},
{
"id": "jvasp-113258",
"created_at": "2022-09-04T14:38:47.868572Z",
"updated_at": "2022-09-04T14:38:47.868597Z",
"structure_string": "Li16 V2 O10 F2\n1.0\n5.571655 0.000000 0.000000\n-2.785827 4.825195 0.000000\n-0.000000 -0.000000 10.760505\nLi V O F\n16 2 10 2\ndirect\n0.976027 0.682685 0.771452 Li\n0.706660 0.023973 0.771452 Li\n0.666667 0.333333 0.429995 Li\n0.666667 0.333333 0.915608 Li\n0.383952 0.016835 0.621735 Li\n0.682686 0.706658 0.271452 Li\n0.293340 0.976026 0.271452 Li\n0.632884 0.616048 0.621735 Li\n0.616048 0.983164 0.121735 Li\n0.317314 0.293341 0.771452 Li\n0.333333 0.666666 0.929995 Li\n0.333333 0.666666 0.415608 Li\n0.023973 0.317314 0.271452 Li\n0.983166 0.367115 0.621735 Li\n0.016834 0.632884 0.121735 Li\n0.367116 0.383951 0.121735 Li\n0.000000 0.000000 0.985493 V\n0.000000 0.000000 0.485493 V\n0.671282 0.998620 0.947808 O\n0.666667 0.333333 0.710882 O\n0.672661 0.671281 0.447809 O\n0.328718 0.001379 0.447809 O\n0.327339 0.328718 0.947808 O\n0.998621 0.327338 0.447809 O\n0.000000 0.000000 0.675156 O\n0.333333 0.666666 0.210882 O\n0.001379 0.672661 0.947808 O\n0.000000 0.000000 0.175157 O\n0.333333 0.666666 0.705516 F\n0.666667 0.333333 0.205516 F\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Li",
"V",
"O",
"F"
],
"chemical_system": "F-Li-O-V",
"density": 2.3587667730263,
"density_atomic": 0.10370256898515579,
"volume": 289.2888796640541,
"volume_molar": 5.807127845465451,
"formula_full": "Li16 V2 O10 F2",
"formula_reduced": "Li8VO5F",
"formula_anonymous": "ABC5D8",
"energy_above_hull": 1.6560814655000002,
"spacegroup": 173
},
{
"id": "jvasp-113253",
"created_at": "2022-09-04T14:38:47.692120Z",
"updated_at": "2022-09-04T14:38:47.692145Z",
"structure_string": "V10 O15 F5\n1.0\n4.647773 0.006977 0.000000\n-0.271666 4.639832 0.000000\n-0.000000 -0.000000 14.553927\nV O F\n10 15 5\ndirect\n0.979367 0.020634 0.199365 V\n0.527232 0.472768 0.299437 V\n0.521558 0.478442 0.899863 V\n0.521558 0.478442 0.100137 V\n0.460587 0.539413 0.500000 V\n0.527232 0.472768 0.700564 V\n0.982727 0.017273 -0.000000 V\n0.998478 0.001523 0.600697 V\n0.998478 0.001523 0.399303 V\n0.979367 0.020634 0.800635 V\n0.695849 0.701800 0.599455 O\n0.191618 0.808381 0.500000 O\n0.704787 0.698941 0.799335 O\n0.704128 0.698855 -0.000000 O\n0.704787 0.698941 0.200665 O\n0.695849 0.701800 0.400545 O\n0.301059 0.295212 0.799335 O\n0.298200 0.304150 0.599455 O\n0.301059 0.295212 0.200665 O\n0.298200 0.304150 0.400545 O\n0.799864 0.200136 0.099825 O\n0.801302 0.198698 0.299235 O\n0.799864 0.200136 0.900175 O\n0.801302 0.198698 0.700765 O\n0.301145 0.295871 -0.000000 O\n0.202943 0.797056 0.700275 F\n0.793285 0.206714 0.500000 F\n0.202943 0.797056 0.299725 F\n0.202607 0.797392 0.100238 F\n0.202607 0.797392 0.899762 F\n",
"nsites": 30,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 4.4671524611969735,
"density_atomic": 0.09557751350876685,
"volume": 313.88136077894774,
"volume_molar": 6.300792455170555,
"formula_full": "V10 O15 F5",
"formula_reduced": "V2O3F",
"formula_anonymous": "AB2C3",
"energy_above_hull": 2.4761181970833337,
"spacegroup": 38
},
{
"id": "jvasp-60071",
"created_at": "2022-09-04T14:38:36.002234Z",
"updated_at": "2022-09-04T14:38:36.002271Z",
"structure_string": "Y6 Sn6 O18\n1.0\n3.197421 -5.538095 -0.000000\n3.197421 5.538095 -0.000000\n0.000000 -0.000000 12.551201\nY Sn O\n6 6 18\ndirect\n0.666667 0.333333 0.764041 Y\n0.333333 0.666667 0.264041 Y\n0.666667 0.333333 0.264041 Y\n0.333333 0.666667 0.764041 Y\n0.000000 0.000000 0.231207 Y\n0.000000 0.000000 0.731207 Y\n0.333134 0.333134 0.999697 Sn\n0.333134 0.000000 0.499697 Sn\n0.000000 0.333134 0.499697 Sn\n0.666865 0.000000 0.999697 Sn\n0.666865 0.666865 0.499697 Sn\n0.000000 0.666865 0.999697 Sn\n0.000000 0.636016 0.171501 O\n0.000000 0.694187 0.825834 O\n0.000000 0.305813 0.325834 O\n0.305813 0.000000 0.325834 O\n0.305813 0.305813 0.825834 O\n0.636016 0.636016 0.671501 O\n0.636016 0.000000 0.171501 O\n0.000000 0.363983 0.671501 O\n0.666667 0.333333 0.470831 O\n0.363983 0.363983 0.171501 O\n0.000000 0.000000 0.532952 O\n0.000000 0.000000 0.032952 O\n0.333333 0.666667 0.970831 O\n0.694187 0.000000 0.825834 O\n0.333333 0.666667 0.470831 O\n0.666667 0.333333 0.970831 O\n0.363983 0.000000 0.671501 O\n0.694187 0.694187 0.325834 O\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Y",
"Sn",
"O"
],
"chemical_system": "O-Sn-Y",
"density": 5.729405553767833,
"density_atomic": 0.06749098245546213,
"volume": 444.5038271564242,
"volume_molar": 8.92288205164899,
"formula_full": "Y6 Sn6 O18",
"formula_reduced": "YSnO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.7264175299999998,
"spacegroup": 185
},
{
"id": "jvasp-120602",
"created_at": "2022-09-04T14:38:47.476666Z",
"updated_at": "2022-09-04T14:38:47.476690Z",
"structure_string": "Fe10 O9 F11\n1.0\n4.651021 0.028210 0.000618\n0.132308 4.641246 0.003274\n-0.008672 0.004529 15.187239\nFe O F\n10 9 11\ndirect\n0.991581 0.011601 0.999476 Fe\n0.040750 0.978204 0.790154 Fe\n0.978150 0.065769 0.599684 Fe\n0.049960 0.999079 0.403206 Fe\n0.048834 0.981187 0.209262 Fe\n0.495971 0.514195 0.907170 Fe\n0.479820 0.491567 0.500707 Fe\n0.462912 0.478081 0.701705 Fe\n0.465347 0.488082 0.297556 Fe\n0.494406 0.518293 0.092034 Fe\n0.664799 0.332449 0.599893 O\n0.702680 0.304168 -0.000187 O\n0.311841 0.683666 0.197950 O\n0.311971 0.679144 0.404012 O\n0.320544 0.685345 0.798773 O\n0.289459 0.720262 0.998499 O\n0.205636 0.176990 0.300873 O\n0.199146 0.214874 0.500560 O\n0.189290 0.210088 0.699032 O\n0.199474 0.199654 0.897497 F\n0.199223 0.198574 0.101626 F\n0.269074 0.727063 0.602281 F\n0.711471 0.285424 0.802760 F\n0.711155 0.280977 0.396705 F\n0.712109 0.282266 0.199060 F\n0.811864 0.805520 0.895861 F\n0.785589 0.801832 0.500816 F\n0.784231 0.801540 0.698056 F\n0.811462 0.809179 0.103998 F\n0.801256 0.774943 0.300985 F\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-O",
"density": 4.6172612199705645,
"density_atomic": 0.09152393750046997,
"volume": 327.7831004576912,
"volume_molar": 6.579853232351457,
"formula_full": "Fe10 O9 F11",
"formula_reduced": "Fe10O9F11",
"formula_anonymous": "A9B10C11",
"energy_above_hull": 2.27312932025,
"spacegroup": 1
},
{
"id": "jvasp-59832",
"created_at": "2022-09-04T14:38:36.252175Z",
"updated_at": "2022-09-04T14:38:36.252204Z",
"structure_string": "Y2 Sn6 Se4 Cl2 O16\n1.0\n7.126600 0.000000 0.000000\n0.000000 7.399157 0.000000\n0.000000 0.000000 10.458472\nY Sn Se Cl O\n2 6 4 2 16\ndirect\n0.500000 0.678603 0.000000 Y\n0.000000 0.321398 0.500000 Y\n0.750000 0.000000 0.750000 Sn\n0.750000 0.000000 0.250000 Sn\n0.250000 0.000000 0.750000 Sn\n0.000000 0.833484 0.500000 Sn\n0.500000 0.166517 0.000000 Sn\n0.250000 0.000000 0.250000 Sn\n0.500000 0.438699 0.318632 Se\n0.000000 0.561301 0.181368 Se\n0.000000 0.561301 0.818632 Se\n0.500000 0.438699 0.681368 Se\n0.500000 0.879822 0.500000 Cl\n0.000000 0.120178 0.000000 Cl\n0.190538 0.701055 0.151236 O\n0.809462 0.701055 0.151236 O\n0.690538 0.298945 0.651236 O\n0.000000 0.071723 0.375628 O\n0.500000 0.928278 0.124372 O\n0.309462 0.298945 0.651236 O\n0.190538 0.701055 0.848763 O\n0.500000 0.928278 0.875628 O\n0.309462 0.298945 0.348764 O\n0.690538 0.298945 0.348764 O\n0.809462 0.701055 0.848763 O\n0.000000 0.559927 0.349647 O\n0.500000 0.440074 0.849647 O\n0.000000 0.559927 0.650353 O\n0.000000 0.071723 0.624372 O\n0.500000 0.440074 0.150353 O\n",
"nsites": 30,
"nelements": 5,
"elements": [
"Y",
"Sn",
"Se",
"Cl",
"O"
],
"chemical_system": "Cl-O-Se-Sn-Y",
"density": 4.615343403168118,
"density_atomic": 0.05439868364321848,
"volume": 551.483932897334,
"volume_molar": 11.070379569287134,
"formula_full": "Y2 Sn6 Se4 Cl2 O16",
"formula_reduced": "YSn3Se2ClO8",
"formula_anonymous": "ABC2D3E8",
"energy_above_hull": 2.088285290055555,
"spacegroup": 59
},
{
"id": "jvasp-22990",
"created_at": "2022-09-04T14:37:33.819075Z",
"updated_at": "2022-09-04T14:37:33.819102Z",
"structure_string": "Mg8 Nb4 O18\n1.0\n2.603262 -4.508982 -0.000000\n2.603262 4.508982 -0.000000\n-0.000000 -0.000000 14.139202\nMg Nb O\n8 4 18\ndirect\n0.333333 0.666667 0.516459 Mg\n0.666667 0.333333 0.983541 Mg\n0.666667 0.333333 0.483541 Mg\n0.333333 0.666667 0.016459 Mg\n0.333333 0.666667 0.308167 Mg\n0.666667 0.333333 0.191833 Mg\n0.666667 0.333333 0.691832 Mg\n0.333333 0.666667 0.808167 Mg\n0.000000 0.000000 0.858323 Nb\n0.000000 0.000000 0.641677 Nb\n0.000000 0.000000 0.141677 Nb\n0.000000 0.000000 0.358323 Nb\n0.708533 0.708533 0.750000 O\n-0.000000 0.708533 0.250000 O\n0.708533 -0.000000 0.250000 O\n0.291466 0.291466 0.250000 O\n0.320984 0.971476 0.415849 O\n0.028523 0.349509 0.415849 O\n0.650490 0.679015 0.415849 O\n0.971476 0.320984 0.084151 O\n0.028523 0.679015 0.915849 O\n0.679015 0.650490 0.084151 O\n0.679015 0.028523 0.584151 O\n0.971476 0.650490 0.584151 O\n0.349509 0.320985 0.584151 O\n0.291466 -0.000000 0.750000 O\n0.650490 0.971476 0.915849 O\n0.320985 0.349509 0.915849 O\n0.349509 0.028523 0.084151 O\n-0.000000 0.291466 0.750000 O\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Mg",
"Nb",
"O"
],
"chemical_system": "Mg-Nb-O",
"density": 4.272514244497934,
"density_atomic": 0.09037950936573447,
"volume": 331.9336452535986,
"volume_molar": 6.663170448990256,
"formula_full": "Mg8 Nb4 O18",
"formula_reduced": "Mg4Nb2O9",
"formula_anonymous": "A2B4C9",
"energy_above_hull": 2.2288011,
"spacegroup": 165
},
{
"id": "jvasp-60099",
"created_at": "2022-09-04T14:37:13.757900Z",
"updated_at": "2022-09-04T14:37:13.757930Z",
"structure_string": "Y6 Co6 O18\n1.0\n3.013944 -5.220304 0.000000\n3.013944 5.220304 -0.000000\n0.000000 0.000000 11.513008\nY Co O\n6 6 18\ndirect\n0.333332 0.666666 0.231611 Y\n0.666666 0.333332 0.731611 Y\n0.333332 0.666666 0.731611 Y\n0.666666 0.333332 0.231611 Y\n0.000000 0.000000 0.779999 Y\n0.000000 0.000000 0.279999 Y\n0.334231 0.334231 0.001393 Co\n-0.000000 0.334231 0.501393 Co\n0.334231 -0.000000 0.501393 Co\n-0.000000 0.665768 0.001393 Co\n0.665768 0.665768 0.501393 Co\n0.665768 -0.000000 0.001393 Co\n0.637940 -0.000000 0.840540 O\n0.696457 -0.000000 0.162675 O\n0.303542 -0.000000 0.662675 O\n-0.000000 0.303542 0.662675 O\n0.303541 0.303541 0.162675 O\n0.637940 0.637940 0.340540 O\n-0.000000 0.637940 0.840540 O\n0.362059 -0.000000 0.340540 O\n0.333332 0.666666 0.517987 O\n0.362058 0.362058 0.840540 O\n0.000000 0.000000 0.481983 O\n0.000000 0.000000 0.981983 O\n0.666666 0.333332 0.017987 O\n-0.000000 0.696457 0.162675 O\n0.666666 0.333332 0.517987 O\n0.333332 0.666666 0.017987 O\n-0.000000 0.362059 0.340540 O\n0.696457 0.696457 0.662675 O\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Y",
"Co",
"O"
],
"chemical_system": "Co-O-Y",
"density": 5.3857459488521755,
"density_atomic": 0.08280784437300463,
"volume": 362.284518177604,
"volume_molar": 7.272427878781034,
"formula_full": "Y6 Co6 O18",
"formula_reduced": "YCoO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.37827737,
"spacegroup": 185
}
]
}