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=4576",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nsites&page=4574",
"results": [
{
"id": "jvasp-23637",
"created_at": "2022-09-04T14:37:42.246156Z",
"updated_at": "2022-09-04T14:37:42.246173Z",
"structure_string": "Hf10 Ga20 Co10\n1.0\n7.322960 -0.000000 3.439651\n3.661480 8.648236 1.719825\n-0.015270 0.000000 9.547564\nHf Ga Co\n10 20 10\ndirect\n0.404114 0.719775 0.719775 Hf\n0.517860 0.000000 -0.000000 Hf\n0.054112 0.000000 -0.000000 Hf\n0.836395 0.000000 0.599220 Hf\n0.435616 0.400780 0.000000 Hf\n0.123889 0.280225 0.719775 Hf\n0.435616 0.000000 0.400780 Hf\n0.843665 0.280225 0.280225 Hf\n0.123889 0.719775 0.280225 Hf\n0.836394 0.599220 0.000000 Hf\n0.737749 0.508113 0.789369 Ga\n0.959877 0.838683 0.838683 Ga\n0.035231 0.210630 0.491887 Ga\n0.737749 0.789370 0.508113 Ga\n0.527119 0.508113 0.210630 Ga\n0.245862 0.491888 0.789369 Ga\n0.035231 0.491888 0.210631 Ga\n0.245862 0.789370 0.491888 Ga\n0.527119 0.210630 0.508112 Ga\n0.798560 0.161317 0.838683 Ga\n0.160571 0.260898 0.000000 Ga\n0.160572 0.000000 0.260897 Ga\n0.265003 0.384124 0.384123 Ga\n0.649126 0.615877 0.384124 Ga\n0.421468 0.000000 0.739102 Ga\n0.649126 0.384124 0.615876 Ga\n0.033249 0.615877 0.615877 Ga\n0.637243 0.161317 0.161317 Ga\n0.798560 0.838683 0.161317 Ga\n0.421468 0.739103 0.000000 Ga\n0.899346 0.500000 0.500000 Co\n0.399346 0.500000 0.500000 Co\n0.144557 0.000000 0.674810 Co\n0.819367 0.325190 0.000000 Co\n0.488936 0.215696 0.784304 Co\n0.273240 0.215696 0.215696 Co\n0.488936 0.784305 0.215696 Co\n0.704632 0.784305 0.784304 Co\n0.144557 0.674810 0.000000 Co\n0.819367 0.000000 0.325190 Co\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Hf",
"Ga",
"Co"
],
"chemical_system": "Co-Ga-Hf",
"density": 10.342054720465487,
"density_atomic": 0.06610390036870877,
"volume": 605.1080159701828,
"volume_molar": 9.110114117941922,
"formula_full": "Hf10 Ga20 Co10",
"formula_reduced": "HfGa2Co",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.8456021375,
"spacegroup": 107
},
{
"id": "jvasp-29307",
"created_at": "2022-09-04T14:37:56.695564Z",
"updated_at": "2022-09-04T14:37:56.695590Z",
"structure_string": "Ta12 Si4 Te24\n1.0\n6.427501 0.000000 0.000000\n0.000000 11.585725 0.000000\n0.000000 0.000000 14.315443\nTa Si Te\n12 4 24\ndirect\n0.668327 0.334730 0.750000 Ta\n0.168328 0.165271 0.750000 Ta\n0.831672 0.834730 0.250000 Ta\n0.331672 0.665271 0.250000 Ta\n0.968303 0.687412 0.750000 Ta\n0.468303 0.812589 0.750000 Ta\n0.531697 0.187412 0.250000 Ta\n0.031697 0.312588 0.250000 Ta\n0.695989 0.031439 0.750000 Ta\n0.195990 0.468561 0.750000 Ta\n0.804010 0.531440 0.250000 Ta\n0.304010 0.968561 0.250000 Ta\n0.425055 0.424799 0.250000 Si\n0.925055 0.075202 0.250000 Si\n0.074945 0.924799 0.750000 Si\n0.574944 0.575202 0.750000 Si\n0.650804 0.681187 0.383387 Te\n0.150804 0.818814 0.116613 Te\n0.150804 0.818814 0.383387 Te\n0.650804 0.681187 0.116613 Te\n0.349196 0.318814 0.616613 Te\n0.849196 0.181186 0.883387 Te\n0.854441 0.496759 0.621572 Te\n0.354441 0.003241 0.878427 Te\n0.645559 0.996759 0.378427 Te\n0.145559 0.503241 0.121572 Te\n0.145559 0.503241 0.378427 Te\n0.204212 0.157668 0.382368 Te\n0.354441 0.003241 0.621572 Te\n0.854441 0.496759 0.878427 Te\n0.795788 0.842333 0.617632 Te\n0.295788 0.657668 0.882368 Te\n0.704212 0.342332 0.382368 Te\n0.204212 0.157668 0.117632 Te\n0.349196 0.318814 0.883387 Te\n0.704212 0.342332 0.117632 Te\n0.295788 0.657668 0.617632 Te\n0.795788 0.842333 0.882368 Te\n0.645559 0.996759 0.121572 Te\n0.849196 0.181186 0.616613 Te\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Ta",
"Si",
"Te"
],
"chemical_system": "Si-Ta-Te",
"density": 8.327552129819038,
"density_atomic": 0.037522332756125834,
"volume": 1066.031801913213,
"volume_molar": 16.049483914394514,
"formula_full": "Ta12 Si4 Te24",
"formula_reduced": "Ta3SiTe6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 3.41012728,
"spacegroup": 62
},
{
"id": "jvasp-23722",
"created_at": "2022-09-04T14:37:34.033452Z",
"updated_at": "2022-09-04T14:37:34.033478Z",
"structure_string": "Yb6 Sb10 O24\n1.0\n8.514199 -0.000000 -3.010224\n-4.257099 7.373512 -3.010224\n0.000000 0.000000 9.030671\nYb Sb O\n6 10 24\ndirect\n0.500000 0.750000 0.250000 Yb\n0.250000 0.500000 0.750000 Yb\n0.250000 0.750000 0.500000 Yb\n0.750000 0.250000 0.500000 Yb\n0.750000 0.500000 0.250000 Yb\n0.500000 0.250000 0.750000 Yb\n0.499996 0.499996 0.499997 Sb\n-0.000000 -0.000000 0.500004 Sb\n0.251865 0.251865 0.000000 Sb\n-0.000000 0.500004 0.000000 Sb\n0.748135 0.748135 0.000001 Sb\n0.251865 -0.000000 0.251865 Sb\n-0.000000 0.251865 0.251865 Sb\n0.500004 0.000000 0.000000 Sb\n-0.000000 0.748135 0.748135 Sb\n0.748135 -0.000000 0.748136 Sb\n-0.000000 0.217716 0.467880 O\n0.467872 0.467872 0.250164 O\n0.250163 0.467872 0.467872 O\n0.782292 0.532128 0.000001 O\n0.782292 -0.000000 0.532129 O\n0.217716 0.467880 0.000000 O\n-0.000000 0.467880 0.217716 O\n-0.000000 0.532128 0.782292 O\n-0.000000 0.782291 0.532128 O\n0.782284 0.250164 0.782284 O\n0.250164 0.782284 0.782284 O\n0.749837 0.217708 0.217709 O\n0.467880 0.217716 0.000000 O\n0.532128 -0.000000 0.782292 O\n0.532120 0.749836 0.532120 O\n0.532128 0.782291 0.000001 O\n0.217708 0.749836 0.217709 O\n0.467872 0.250163 0.467872 O\n0.467880 -0.000000 0.217716 O\n0.217708 0.217708 0.749837 O\n0.217716 -0.000000 0.467880 O\n0.782284 0.782284 0.250165 O\n0.532120 0.532120 0.749836 O\n0.749836 0.532120 0.532120 O\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Yb",
"Sb",
"O"
],
"chemical_system": "O-Sb-Yb",
"density": 7.73189815852081,
"density_atomic": 0.07055402306680887,
"volume": 566.94144800394,
"volume_molar": 8.53550300639487,
"formula_full": "Yb6 Sb10 O24",
"formula_reduced": "Yb3Sb5O12",
"formula_anonymous": "A3B5C12",
"energy_above_hull": 2.0813047300000003,
"spacegroup": 229
},
{
"id": "jvasp-95153",
"created_at": "2022-09-04T14:36:35.861884Z",
"updated_at": "2022-09-04T14:36:35.861901Z",
"structure_string": "H16 S4 O20\n1.0\n6.672251 0.000000 -1.037207\n0.000000 7.326861 0.000000\n1.085710 0.000000 7.574319\nH S O\n16 4 20\ndirect\n0.407580 0.166470 0.731673 H\n0.786221 0.092488 0.235277 H\n0.921593 0.163233 0.411437 H\n0.078407 0.663233 0.088562 H\n0.219315 0.812362 0.190672 H\n0.213779 0.592488 0.264723 H\n0.213779 0.907512 0.764723 H\n0.780685 0.312362 0.309328 H\n0.078407 0.836767 0.588562 H\n0.786221 0.407512 0.735277 H\n0.780685 0.187638 0.809328 H\n0.921593 0.336767 0.911437 H\n0.407580 0.333530 0.231673 H\n0.592420 0.833530 0.268327 H\n0.592420 0.666470 0.768327 H\n0.219315 0.687638 0.690672 H\n0.753987 0.653355 0.430908 S\n0.246012 0.153355 0.069092 S\n0.246012 0.346645 0.569092 S\n0.753987 0.846645 0.930908 S\n0.205638 0.824751 0.660131 O\n0.794362 0.324751 0.839869 O\n0.080451 0.280977 0.058469 O\n0.919549 0.780976 0.441531 O\n0.919549 0.719023 0.941531 O\n0.080451 0.219023 0.558469 O\n0.435616 0.266709 0.118975 O\n0.564383 0.766709 0.381025 O\n0.564383 0.733291 0.881025 O\n0.435616 0.233291 0.618975 O\n0.784235 0.517617 0.293132 O\n0.784235 0.982383 0.793132 O\n0.215765 0.482383 0.706868 O\n0.298059 0.430382 0.401272 O\n0.701941 0.930382 0.098728 O\n0.701941 0.569618 0.598728 O\n0.298059 0.069618 0.901272 O\n0.205638 0.675249 0.160131 O\n0.215765 0.017617 0.206868 O\n0.794362 0.175249 0.339869 O\n",
"nsites": 40,
"nelements": 3,
"elements": [
"H",
"S",
"O"
],
"chemical_system": "H-O-S",
"density": 2.0371036783293976,
"density_atomic": 0.10567083965454178,
"volume": 378.53394683687253,
"volume_molar": 5.698961775725008,
"formula_full": "H16 S4 O20",
"formula_reduced": "H4SO5",
"formula_anonymous": "AB4C5",
"energy_above_hull": 2.7928347500000004,
"spacegroup": 14
},
{
"id": "jvasp-1213",
"created_at": "2022-09-04T14:36:33.904427Z",
"updated_at": "2022-09-04T14:36:33.904445Z",
"structure_string": "Zn24 P16\n1.0\n8.143087 0.000000 0.000000\n0.000000 8.143087 0.000000\n0.000000 0.000000 11.506655\nZn P\n24 16\ndirect\n0.500000 0.713739 0.603456 Zn\n0.253659 0.500000 0.847682 Zn\n0.746342 0.500000 0.847682 Zn\n0.500000 0.253659 0.152318 Zn\n0.000000 0.246342 0.347682 Zn\n0.246342 0.000000 0.652317 Zn\n0.753659 0.000000 0.652317 Zn\n0.500000 0.746342 0.152318 Zn\n0.212905 0.500000 0.112690 Zn\n0.787095 0.500000 0.112690 Zn\n0.500000 0.212905 0.887310 Zn\n0.000000 0.287095 0.612689 Zn\n0.000000 0.753659 0.347682 Zn\n0.287095 0.000000 0.387310 Zn\n0.000000 0.712905 0.612689 Zn\n0.786262 0.000000 0.103456 Zn\n0.213739 0.000000 0.103456 Zn\n0.000000 0.213739 0.896544 Zn\n0.000000 0.786262 0.896544 Zn\n0.713739 0.500000 0.396544 Zn\n0.286262 0.500000 0.396544 Zn\n0.500000 0.787095 0.887310 Zn\n0.712905 0.000000 0.387310 Zn\n0.500000 0.286262 0.603456 Zn\n0.754996 0.245004 0.500000 P\n0.754996 0.754996 0.500000 P\n0.745004 0.745004 0.000000 P\n0.245004 0.245004 0.500000 P\n0.254996 0.745004 0.000000 P\n0.745004 0.254996 0.000000 P\n0.000000 0.500000 0.252711 P\n0.000000 0.000000 0.756287 P\n0.500000 0.000000 0.247289 P\n0.500000 0.000000 0.747289 P\n0.500000 0.500000 0.256288 P\n0.000000 0.000000 0.243712 P\n0.500000 0.500000 0.743712 P\n0.245004 0.754996 0.500000 P\n0.000000 0.500000 0.752711 P\n0.254996 0.254996 0.000000 P\n",
"nsites": 40,
"nelements": 2,
"elements": [
"Zn",
"P"
],
"chemical_system": "P-Zn",
"density": 4.494953753994825,
"density_atomic": 0.05242431322464993,
"volume": 763.0047498875385,
"volume_molar": 11.487305010928377,
"formula_full": "Zn24 P16",
"formula_reduced": "Zn3P2",
"formula_anonymous": "A2B3",
"energy_above_hull": 0.2177444400000001,
"spacegroup": 137
},
{
"id": "jvasp-29335",
"created_at": "2022-09-04T14:36:37.558569Z",
"updated_at": "2022-09-04T14:36:37.558595Z",
"structure_string": "Sb12 O8 F20\n1.0\n5.895274 0.000000 0.000000\n0.000000 8.488548 -2.748442\n0.000000 0.019192 13.232797\nSb O F\n12 8 20\ndirect\n0.032138 0.250000 0.000000 Sb\n0.967861 0.750000 0.000000 Sb\n0.445368 0.118503 0.206606 Sb\n0.445368 0.381497 0.793394 Sb\n0.554631 0.881497 0.793394 Sb\n0.554631 0.618503 0.206607 Sb\n0.398265 0.250000 0.500000 Sb\n0.601734 0.750000 0.500000 Sb\n0.039335 0.416183 0.359878 Sb\n0.039335 0.083816 0.640122 Sb\n0.960664 0.583817 0.640123 Sb\n0.960664 0.916184 0.359878 Sb\n0.823177 0.928971 0.506175 O\n0.176823 0.428971 0.506175 O\n0.176823 0.071029 0.493825 O\n0.823177 0.571029 0.493825 O\n0.736282 0.787358 0.661643 O\n0.263718 0.287358 0.661643 O\n0.263718 0.212642 0.338357 O\n0.736282 0.712642 0.338357 O\n0.762928 0.434744 0.151434 F\n0.762928 0.065256 0.848566 F\n0.873427 0.726145 0.150997 F\n0.873427 0.773855 0.849003 F\n0.126572 0.273855 0.849003 F\n0.126572 0.226145 0.150997 F\n0.556342 0.975698 0.292112 F\n0.556342 0.524302 0.707888 F\n0.443657 0.024302 0.707888 F\n0.738185 0.578794 0.956897 F\n0.738185 0.921206 0.043103 F\n0.261814 0.421206 0.043103 F\n0.261814 0.078794 0.956897 F\n0.202209 0.754121 0.357353 F\n0.202209 0.745879 0.642648 F\n0.797791 0.245879 0.642648 F\n0.797791 0.254121 0.357353 F\n0.237071 0.934744 0.151434 F\n0.443657 0.475698 0.292112 F\n0.237071 0.565256 0.848566 F\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Sb",
"O",
"F"
],
"chemical_system": "F-O-Sb",
"density": 4.935375838163444,
"density_atomic": 0.060376376265202696,
"volume": 662.5107777966064,
"volume_molar": 9.974332897270614,
"formula_full": "Sb12 O8 F20",
"formula_reduced": "Sb3O2F5",
"formula_anonymous": "A2B3C5",
"energy_above_hull": 0.8536826712499997,
"spacegroup": 13
},
{
"id": "jvasp-96769",
"created_at": "2022-09-04T14:36:32.293819Z",
"updated_at": "2022-09-04T14:36:32.293844Z",
"structure_string": "Ba6 P8 O26\n1.0\n7.374414 0.019055 -1.916945\n-2.612844 7.797392 -2.763352\n-0.019515 -0.069899 10.645928\nBa P O\n6 8 26\ndirect\n0.500000 -0.000000 -0.000000 Ba\n0.153668 0.233855 0.233464 Ba\n0.846331 0.766144 0.766536 Ba\n-0.000000 -0.000000 0.500000 Ba\n0.368749 0.780907 0.269000 Ba\n0.631250 0.219092 0.730999 Ba\n0.157424 0.179659 0.857185 P\n0.842575 0.820340 0.142815 P\n0.678185 0.210717 0.368589 P\n0.321814 0.789282 0.631411 P\n0.337848 0.454341 0.634776 P\n0.849624 0.480773 0.135346 P\n0.150375 0.519226 0.864654 P\n0.662151 0.545658 0.365223 P\n0.462703 0.482249 0.260187 O\n0.059739 0.501997 0.176859 O\n0.940260 0.498002 0.823141 O\n0.184183 0.452588 0.714303 O\n0.815816 0.547411 0.285697 O\n0.537296 0.517750 0.739813 O\n0.296362 0.159107 0.777249 O\n0.715509 0.305640 0.032001 O\n0.703636 0.840892 0.222750 O\n0.947060 0.102403 0.757897 O\n0.052939 0.897596 0.242102 O\n0.188178 0.115808 0.976210 O\n0.811821 0.884191 0.023790 O\n0.200397 0.388064 0.933213 O\n0.799602 0.611935 0.066787 O\n0.722527 0.722733 0.481231 O\n0.710534 0.151878 0.490503 O\n0.829382 0.208935 0.299400 O\n0.170617 0.791064 0.700600 O\n0.472139 0.119107 0.262421 O\n0.527860 0.880892 0.737579 O\n0.694631 0.418164 0.443267 O\n0.305368 0.581835 0.556732 O\n0.284490 0.694359 0.967999 O\n0.289465 0.848121 0.509497 O\n0.277471 0.277266 0.518769 O\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Ba",
"P",
"O"
],
"chemical_system": "Ba-O-P",
"density": 4.045807217209435,
"density_atomic": 0.06550735462573189,
"volume": 610.6184599963625,
"volume_molar": 9.19307579188131,
"formula_full": "Ba6 P8 O26",
"formula_reduced": "Ba3P4O13",
"formula_anonymous": "A3B4C13",
"energy_above_hull": 2.5481517705,
"spacegroup": 2
},
{
"id": "jvasp-96912",
"created_at": "2022-09-04T14:36:35.762424Z",
"updated_at": "2022-09-04T14:36:35.762435Z",
"structure_string": "K4 Sb8 F28\n1.0\n7.530825 0.000000 0.000000\n0.000000 8.079329 -1.646936\n0.000000 0.005053 10.725835\nK Sb F\n4 8 28\ndirect\n0.163344 0.824000 0.575070 K\n0.663344 0.676000 0.424929 K\n0.336656 0.324000 0.575070 K\n0.836656 0.176000 0.424929 K\n0.311745 0.014463 0.255389 Sb\n0.821253 0.834745 0.093796 Sb\n0.688254 0.985537 0.744611 Sb\n0.188255 0.514463 0.255388 Sb\n0.678746 0.334744 0.093797 Sb\n0.178746 0.165255 0.906203 Sb\n0.811745 0.485537 0.744611 Sb\n0.321254 0.665255 0.906203 Sb\n0.341867 0.532757 0.411379 F\n0.492829 0.122787 0.379568 F\n0.992829 0.377213 0.620431 F\n0.507171 0.877213 0.620431 F\n0.007171 0.622787 0.379568 F\n0.158133 0.032757 0.411379 F\n0.658133 0.467243 0.588620 F\n0.841866 0.967243 0.588620 F\n0.567188 0.945833 0.113904 F\n0.907887 0.195138 0.854135 F\n0.067189 0.554166 0.886095 F\n0.432811 0.054166 0.886095 F\n0.932811 0.445833 0.113904 F\n0.894321 0.073502 0.115549 F\n0.394321 0.426497 0.884450 F\n0.105679 0.926497 0.884450 F\n0.605678 0.573502 0.115549 F\n0.592112 0.695138 0.854134 F\n0.795904 0.867390 0.278787 F\n0.204096 0.132609 0.721212 F\n0.704095 0.367390 0.278787 F\n0.114592 0.301519 0.301636 F\n0.614591 0.198481 0.698363 F\n0.885408 0.698481 0.698363 F\n0.385408 0.801519 0.301636 F\n0.407887 0.304862 0.145865 F\n0.295904 0.632610 0.721212 F\n0.092113 0.804862 0.145865 F\n",
"nsites": 40,
"nelements": 3,
"elements": [
"K",
"Sb",
"F"
],
"chemical_system": "F-K-Sb",
"density": 4.2296205259173245,
"density_atomic": 0.06128713586565261,
"volume": 652.6655134885714,
"volume_molar": 9.826108978564637,
"formula_full": "K4 Sb8 F28",
"formula_reduced": "KSb2F7",
"formula_anonymous": "AB2C7",
"energy_above_hull": 0.17725763825,
"spacegroup": 14
},
{
"id": "jvasp-97013",
"created_at": "2022-09-04T14:36:31.357282Z",
"updated_at": "2022-09-04T14:36:31.357299Z",
"structure_string": "Li4 Al4 Si4 H8 O20\n1.0\n10.547526 0.000000 0.000000\n0.000000 8.136637 0.000000\n0.000000 0.000000 4.980353\nLi Al Si H O\n4 4 4 8 20\ndirect\n0.811682 0.319878 0.751440 Li\n0.188318 0.680122 0.251440 Li\n0.688319 0.819878 0.251440 Li\n0.311682 0.180122 0.751440 Li\n0.655936 0.417430 0.245452 Al\n0.344065 0.582570 0.745452 Al\n0.844065 0.917431 0.745452 Al\n0.155935 0.082570 0.245452 Al\n0.858019 0.128774 0.244335 Si\n0.141981 0.871227 0.744335 Si\n0.641981 0.628774 0.744335 Si\n0.358019 0.371226 0.244335 Si\n0.482310 0.958693 0.113332 H\n0.982310 0.541308 0.113332 H\n0.017690 0.458693 0.613332 H\n0.517690 0.041308 0.613332 H\n0.469651 0.829197 0.360903 H\n0.969651 0.670804 0.360903 H\n0.030349 0.329196 0.860902 H\n0.530349 0.170804 0.860902 H\n0.019616 0.579720 0.284751 O\n0.980384 0.420281 0.784751 O\n0.170540 0.893330 0.067190 O\n0.829460 0.106671 0.567189 O\n0.329460 0.393330 0.567189 O\n0.670541 0.606671 0.067190 O\n0.184009 0.042761 0.590099 O\n0.815991 0.957240 0.090099 O\n0.315991 0.542761 0.090099 O\n0.272818 0.218817 0.127007 O\n0.727182 0.781184 0.627006 O\n0.227182 0.718817 0.627006 O\n0.772818 0.281184 0.127007 O\n0.006646 0.167826 0.179189 O\n0.993354 0.832174 0.679189 O\n0.493354 0.667826 0.679189 O\n0.506647 0.332174 0.179189 O\n0.519617 0.920281 0.284751 O\n0.684009 0.457239 0.590099 O\n0.480384 0.079719 0.784751 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"Li",
"Al",
"Si",
"H",
"O"
],
"chemical_system": "Al-H-Li-O-Si",
"density": 2.2380974560215425,
"density_atomic": 0.09358458514524011,
"volume": 427.4208186948882,
"volume_molar": 6.4349708348376415,
"formula_full": "Li4 Al4 Si4 H8 O20",
"formula_reduced": "LiAlSiH2O5",
"formula_anonymous": "ABCD2E5",
"energy_above_hull": 2.48131389,
"spacegroup": 33
},
{
"id": "jvasp-99036",
"created_at": "2022-09-04T14:36:32.077515Z",
"updated_at": "2022-09-04T14:36:32.077537Z",
"structure_string": "In6 Sb10 O24\n1.0\n8.703867 0.022244 -3.090917\n-4.384089 7.519146 -3.090917\n0.012741 0.022244 9.236390\nIn Sb O\n6 10 24\ndirect\n0.247727 0.747710 0.497716 In\n0.247727 0.497716 0.747710 In\n0.497717 0.747710 0.247727 In\n0.747710 0.247727 0.497716 In\n0.747710 0.497716 0.247727 In\n0.497717 0.247727 0.747710 In\n0.516614 0.516614 0.516613 Sb\n0.279463 0.997698 0.279462 Sb\n0.997710 0.997710 0.478811 Sb\n0.997710 0.478811 0.997709 Sb\n0.997727 0.715987 0.715987 Sb\n0.715987 0.715987 0.997726 Sb\n0.715988 0.997727 0.715987 Sb\n0.997698 0.279462 0.279462 Sb\n0.478811 0.997710 0.997710 Sb\n0.279462 0.279462 0.997697 Sb\n0.700110 0.700110 0.204893 O\n0.295338 0.502511 0.997710 O\n0.502512 0.997710 0.295337 O\n0.204894 0.700110 0.700110 O\n0.520981 0.997716 0.795745 O\n0.790538 0.492946 0.492946 O\n0.997716 0.795746 0.520981 O\n0.795746 0.520981 0.997715 O\n0.795746 0.997716 0.520981 O\n0.997716 0.520981 0.795745 O\n0.520981 0.795746 0.997715 O\n0.722941 0.199711 0.199711 O\n0.199712 0.199711 0.722941 O\n0.492946 0.790538 0.492946 O\n0.199712 0.722942 0.199712 O\n0.474464 0.474463 0.272476 O\n0.474464 0.272476 0.474463 O\n0.502511 0.295337 0.997710 O\n0.295338 0.997710 0.502511 O\n0.997710 0.502511 0.295337 O\n0.997710 0.295337 0.502511 O\n0.492946 0.492946 0.790538 O\n0.272476 0.474463 0.474463 O\n0.700110 0.204893 0.700110 O\n",
"nsites": 40,
"nelements": 3,
"elements": [
"In",
"Sb",
"O"
],
"chemical_system": "In-O-Sb",
"density": 6.270353109501183,
"density_atomic": 0.06594377570558449,
"volume": 606.5773391348681,
"volume_molar": 9.132235295241081,
"formula_full": "In6 Sb10 O24",
"formula_reduced": "In3Sb5O12",
"formula_anonymous": "A3B5C12",
"energy_above_hull": 2.1673766205,
"spacegroup": 217
},
{
"id": "jvasp-99185",
"created_at": "2022-09-04T14:36:34.097808Z",
"updated_at": "2022-09-04T14:36:34.097820Z",
"structure_string": "Ba8 H16 O16\n1.0\n9.009845 0.000000 -0.961050\n0.000000 8.102666 0.000000\n-0.034668 0.000000 6.944317\nBa H O\n8 16 16\ndirect\n0.899086 0.125246 0.256650 Ba\n0.399085 0.374755 0.756650 Ba\n0.100915 0.874755 0.743350 Ba\n0.600915 0.625246 0.243350 Ba\n0.334116 0.031074 0.247074 Ba\n0.834116 0.468926 0.747074 Ba\n0.665884 0.968927 0.752926 Ba\n0.165884 0.531074 0.252926 Ba\n0.096608 0.241618 0.559085 H\n0.596609 0.258382 0.059085 H\n0.903392 0.758383 0.440915 H\n0.403392 0.741618 0.940916 H\n0.129247 0.268891 0.948843 H\n0.370753 0.768891 0.551158 H\n0.870753 0.731110 0.051158 H\n0.629247 0.231109 0.448842 H\n0.969091 0.159328 0.779630 H\n0.530909 0.659329 0.720371 H\n0.030909 0.840672 0.220371 H\n0.792841 0.402494 0.105868 H\n0.292840 0.097507 0.605868 H\n0.207160 0.597507 0.894133 H\n0.707160 0.902494 0.394133 H\n0.469091 0.340672 0.279629 H\n0.824166 0.748559 0.527020 O\n0.324166 0.751442 0.027019 O\n0.601877 0.342632 0.487600 O\n0.101876 0.157368 0.987601 O\n0.398124 0.657368 0.512400 O\n0.898124 0.842632 0.012400 O\n0.409191 0.350158 0.150348 O\n0.870397 0.478165 0.167436 O\n0.590809 0.649843 0.849652 O\n0.090809 0.850158 0.349652 O\n0.370397 0.021836 0.667436 O\n0.129603 0.521836 0.832565 O\n0.629603 0.978165 0.332564 O\n0.675834 0.248559 0.972981 O\n0.909191 0.149843 0.650349 O\n0.175834 0.251442 0.472981 O\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Ba",
"H",
"O"
],
"chemical_system": "Ba-H-O",
"density": 4.49219539730163,
"density_atomic": 0.07894352679780937,
"volume": 506.691322550717,
"volume_molar": 7.628416165677451,
"formula_full": "Ba8 H16 O16",
"formula_reduced": "Ba(HO)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.6961985940000002,
"spacegroup": 14
},
{
"id": "jvasp-99328",
"created_at": "2022-09-04T14:36:34.748405Z",
"updated_at": "2022-09-04T14:36:34.748431Z",
"structure_string": "V16 O24\n1.0\n7.672116 -0.000000 -2.712503\n-3.836058 6.644247 -2.712503\n0.000000 0.000000 8.137508\nV O\n16 24\ndirect\n0.000000 0.000000 0.000000 V\n0.250000 0.033920 0.783920 V\n0.716080 0.750000 0.466081 V\n0.466080 0.716080 0.750001 V\n0.783920 0.250000 0.033920 V\n0.033920 0.783920 0.250000 V\n0.750000 0.966080 0.216081 V\n0.750000 0.466080 0.716081 V\n0.533920 0.283920 0.250000 V\n0.216080 0.750000 0.966081 V\n0.966081 0.216080 0.750001 V\n0.250000 0.533920 0.283920 V\n0.500000 0.500000 0.000000 V\n0.500000 0.000000 0.500000 V\n0.283920 0.250000 0.533920 V\n-0.000000 0.500000 0.500000 V\n0.226379 0.274174 0.763469 O\n0.273621 0.037089 0.047795 O\n0.010705 0.462911 0.736532 O\n0.452206 0.489295 0.225826 O\n0.537090 0.263469 0.989295 O\n0.763469 0.226379 0.274175 O\n0.774174 0.547795 0.510706 O\n0.725826 0.236531 0.773621 O\n0.952206 0.726380 0.962912 O\n0.726380 0.962911 0.952206 O\n0.989295 0.537090 0.263470 O\n0.547795 0.510705 0.774175 O\n0.773621 0.725826 0.236532 O\n0.489295 0.225826 0.452206 O\n0.263469 0.989295 0.537090 O\n0.236531 0.773621 0.725827 O\n0.962911 0.952206 0.726380 O\n0.462911 0.736531 0.010706 O\n0.225826 0.452205 0.489295 O\n0.274174 0.763469 0.226380 O\n0.047795 0.273621 0.037090 O\n0.037089 0.047795 0.273621 O\n0.510705 0.774174 0.547795 O\n0.736532 0.010705 0.462911 O\n",
"nsites": 40,
"nelements": 2,
"elements": [
"V",
"O"
],
"chemical_system": "O-V",
"density": 4.799918771017288,
"density_atomic": 0.09642899338149663,
"volume": 414.81299967272537,
"volume_molar": 6.245155682767465,
"formula_full": "V16 O24",
"formula_reduced": "V2O3",
"formula_anonymous": "A2B3",
"energy_above_hull": 2.9124797799999995,
"spacegroup": 206
}
]
}