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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume&page=4565",
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"results": [
{
"id": "jvasp-87190",
"created_at": "2022-09-04T14:35:53.258682Z",
"updated_at": "2022-09-04T14:35:53.258700Z",
"structure_string": "Tl4 Fe4 C12 N4 O16\n1.0\n8.785761 -0.000000 -0.000000\n0.000000 8.785761 -0.000000\n-0.000000 -0.000000 8.785761\nTl Fe C N O\n4 4 12 4 16\ndirect\n0.061292 0.061292 0.061292 Tl\n0.561292 0.438707 0.938707 Tl\n0.938707 0.561292 0.438707 Tl\n0.438707 0.938707 0.561292 Tl\n0.556322 0.556322 0.556322 Fe\n0.943678 0.443678 0.056322 Fe\n0.056322 0.943678 0.443678 Fe\n0.443678 0.056322 0.943678 Fe\n0.643423 0.059184 0.908185 C\n0.356577 0.559184 0.591815 C\n0.059184 0.908185 0.643423 C\n0.143423 0.440816 0.091815 C\n0.559184 0.591815 0.356577 C\n0.940815 0.408185 0.856576 C\n0.440816 0.091815 0.143423 C\n0.856576 0.940815 0.408185 C\n0.091815 0.143423 0.440816 C\n0.591815 0.356577 0.559184 C\n0.908185 0.643423 0.059184 C\n0.408185 0.856576 0.940815 C\n0.665513 0.665513 0.665513 N\n0.834487 0.334487 0.165513 N\n0.165513 0.834487 0.334487 N\n0.334487 0.165513 0.834487 N\n0.568278 0.618598 0.226618 O\n0.273382 0.431722 0.118598 O\n0.226618 0.568278 0.618598 O\n0.618598 0.226618 0.568278 O\n0.726618 0.931722 0.381402 O\n0.118598 0.273382 0.431722 O\n0.431722 0.118598 0.273382 O\n0.931722 0.381402 0.726618 O\n0.773382 0.068278 0.881402 O\n0.068278 0.881402 0.773382 O\n0.881402 0.773382 0.068278 O\n0.755661 0.255661 0.244339 O\n0.244339 0.755661 0.255661 O\n0.255661 0.244339 0.755661 O\n0.381402 0.726618 0.931722 O\n0.744339 0.744339 0.744339 O\n",
"nsites": 40,
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"elements": [
"Tl",
"Fe",
"C",
"N",
"O"
],
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"density": 3.6656399171626988,
"density_atomic": 0.05898231803388661,
"volume": 678.1693452098499,
"volume_molar": 10.21007813992687,
"formula_full": "Tl4 Fe4 C12 N4 O16",
"formula_reduced": "TlFeC3NO4",
"formula_anonymous": "ABCD3E4",
"energy_above_hull": 4.214501535,
"spacegroup": 198
},
{
"id": "jvasp-5461",
"created_at": "2022-09-04T14:38:10.624996Z",
"updated_at": "2022-09-04T14:38:10.625013Z",
"structure_string": "Al2 Sb2 I12\n1.0\n6.896856 0.057715 2.377134\n2.925097 9.655246 1.807437\n0.096631 -0.023674 10.248752\nAl Sb I\n2 2 12\ndirect\n0.374415 0.795783 0.795782 Al\n0.625585 0.204218 0.204217 Al\n-0.000000 0.200494 0.799506 Sb\n0.000000 0.799507 0.200494 Sb\n0.066792 0.783285 0.454439 I\n0.933209 0.545561 0.216715 I\n0.933209 0.216715 0.545561 I\n0.066791 0.454439 0.783285 I\n0.533809 0.971638 0.290618 I\n0.466192 0.709382 0.028362 I\n0.466192 0.028362 0.709382 I\n0.533808 0.290618 0.971638 I\n0.018591 0.145055 0.145055 I\n0.981410 0.854945 0.854944 I\n0.442079 0.380140 0.380140 I\n0.557922 0.619860 0.619859 I\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Al",
"Sb",
"I"
],
"chemical_system": "Al-I-Sb",
"density": 4.453946933751461,
"density_atomic": 0.023575678172902726,
"volume": 678.6655248114977,
"volume_molar": 25.5438707460882,
"formula_full": "Al2 Sb2 I12",
"formula_reduced": "AlSbI6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.13751081875,
"spacegroup": 12
},
{
"id": "jvasp-34172",
"created_at": "2022-09-04T14:37:28.906684Z",
"updated_at": "2022-09-04T14:37:28.906709Z",
"structure_string": "Mg18 Sn10\n1.0\n8.790197 0.048783 -1.092622\n-1.242779 8.702037 -1.092622\n0.042074 0.048783 8.857743\nMg Sn\n18 10\ndirect\n0.650884 0.339203 0.247184 Mg\n0.665132 0.597464 0.968408 Mg\n0.597464 0.968408 0.665133 Mg\n0.989199 0.071543 0.670882 Mg\n0.071543 0.670882 0.989199 Mg\n0.000717 0.918417 0.319099 Mg\n0.918417 0.319099 0.000718 Mg\n0.319098 0.000717 0.918416 Mg\n0.968408 0.665132 0.597464 Mg\n0.670882 0.989200 0.071544 Mg\n0.324804 0.392432 0.021476 Mg\n0.021475 0.324804 0.392432 Mg\n0.742731 0.339031 0.650709 Mg\n0.650709 0.742731 0.339031 Mg\n0.339031 0.650709 0.742731 Mg\n0.247184 0.650884 0.339204 Mg\n0.339203 0.247184 0.650883 Mg\n0.392432 0.021475 0.324804 Mg\n0.244970 0.906870 0.583444 Sn\n0.406510 0.744939 0.083054 Sn\n0.083053 0.406510 0.744938 Sn\n0.744939 0.083053 0.406510 Sn\n0.863124 0.863124 0.863124 Sn\n0.626451 0.626451 0.626452 Sn\n0.126827 0.126827 0.126827 Sn\n0.906870 0.583444 0.244970 Sn\n0.363495 0.363495 0.363495 Sn\n0.583444 0.244970 0.906869 Sn\n",
"nsites": 28,
"nelements": 2,
"elements": [
"Mg",
"Sn"
],
"chemical_system": "Mg-Sn",
"density": 3.9729153897119587,
"density_atomic": 0.04123580472335459,
"volume": 679.0215490602934,
"volume_molar": 14.604154812551187,
"formula_full": "Mg18 Sn10",
"formula_reduced": "Mg9Sn5",
"formula_anonymous": "A5B9",
"energy_above_hull": 0.0888774918367347,
"spacegroup": 148
},
{
"id": "jvasp-5407",
"created_at": "2022-09-04T14:38:11.874861Z",
"updated_at": "2022-09-04T14:38:11.874889Z",
"structure_string": "K8 Mn2 Cl12\n1.0\n8.790356 -0.035301 0.036519\n0.036220 8.790352 0.036519\n-0.035590 -0.035301 8.790359\nK Mn Cl\n8 2 12\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 K\n-0.000000 0.000000 0.500000 K\n0.500000 0.000000 0.000000 K\n-0.000000 0.500000 0.000000 K\n0.500000 0.500000 0.000000 K\n-0.000000 0.500000 0.500000 K\n0.500000 0.000000 0.500000 K\n0.250000 0.250000 0.250000 Mn\n0.750000 0.750000 0.750000 Mn\n0.250026 0.250026 0.958284 Cl\n0.750026 0.750026 0.458284 Cl\n0.541716 0.249974 0.249974 Cl\n0.249974 0.541716 0.249974 Cl\n0.249974 0.249974 0.541716 Cl\n0.749975 0.041716 0.749975 Cl\n0.749975 0.749974 0.041716 Cl\n0.041716 0.749974 0.749975 Cl\n0.458284 0.750026 0.750026 Cl\n0.750026 0.458284 0.750026 Cl\n0.958285 0.250026 0.250026 Cl\n0.250026 0.958284 0.250026 Cl\n",
"nsites": 22,
"nelements": 3,
"elements": [
"K",
"Mn",
"Cl"
],
"chemical_system": "Cl-K-Mn",
"density": 2.073262580204529,
"density_atomic": 0.03238781147746624,
"volume": 679.2678787607016,
"volume_molar": 18.593848998379816,
"formula_full": "K8 Mn2 Cl12",
"formula_reduced": "K4MnCl6",
"formula_anonymous": "AB4C6",
"energy_above_hull": 0.0,
"spacegroup": 229
},
{
"id": "jvasp-96870",
"created_at": "2022-09-04T14:35:53.925279Z",
"updated_at": "2022-09-04T14:35:53.925305Z",
"structure_string": "Li12 B20 H8 O40\n1.0\n6.834814 0.000000 0.000000\n-0.000000 6.834814 0.000000\n-0.000000 0.000000 14.543293\nLi B H O\n12 20 8 40\ndirect\n0.639040 0.348858 0.342837 Li\n0.305901 0.305901 0.000000 Li\n0.194099 0.805900 0.250000 Li\n0.805900 0.194099 0.750000 Li\n0.139040 0.151142 0.407163 Li\n0.860959 0.848858 0.907163 Li\n0.694099 0.694099 0.500000 Li\n0.651142 0.360959 0.157163 Li\n0.151142 0.139040 0.592837 Li\n0.848858 0.860959 0.092837 Li\n0.360959 0.651142 0.842837 Li\n0.348858 0.639040 0.657163 Li\n0.251775 0.008218 0.894542 B\n0.561886 0.561886 0.000000 B\n0.438113 0.438113 0.500000 B\n0.938113 0.061887 0.250000 B\n0.061887 0.938113 0.750000 B\n0.008218 0.251775 0.105457 B\n0.991781 0.748224 0.605457 B\n0.248225 0.508218 0.355457 B\n0.751775 0.491781 0.855457 B\n0.748224 0.991781 0.394542 B\n0.241443 0.751482 0.476798 B\n0.508218 0.248225 0.644542 B\n0.251482 0.258557 0.226798 B\n0.748517 0.741442 0.726798 B\n0.758557 0.248518 0.976798 B\n0.258557 0.251482 0.773202 B\n0.741442 0.748517 0.273202 B\n0.248518 0.758557 0.023202 B\n0.751482 0.241443 0.523202 B\n0.491781 0.751775 0.144542 B\n0.505290 0.911072 0.736896 H\n0.588928 0.005290 0.986896 H\n0.494709 0.088928 0.236896 H\n0.411072 0.994709 0.486896 H\n0.005290 0.588928 0.013104 H\n0.088928 0.494709 0.763104 H\n0.911072 0.505290 0.263104 H\n0.994709 0.411072 0.513104 H\n0.730372 0.035836 0.988175 O\n0.269627 0.964164 0.488175 O\n0.535836 0.769627 0.738175 O\n0.464164 0.230372 0.238175 O\n0.824317 0.125671 0.332627 O\n0.175682 0.874328 0.832627 O\n0.625671 0.675682 0.082628 O\n0.374328 0.324317 0.582627 O\n0.125671 0.824317 0.667372 O\n0.675682 0.625671 0.917372 O\n0.324317 0.374328 0.417372 O\n0.700524 0.224334 0.621892 O\n0.299475 0.775666 0.121892 O\n0.724334 0.799475 0.371892 O\n0.275666 0.200524 0.871892 O\n0.775666 0.299475 0.878107 O\n0.224334 0.700524 0.378107 O\n0.874328 0.175682 0.167372 O\n0.230372 0.464164 0.761824 O\n0.035836 0.730372 0.011824 O\n0.964164 0.269627 0.511824 O\n0.799475 0.724334 0.628107 O\n0.646378 0.405193 0.480156 O\n0.353621 0.594806 0.980156 O\n0.905193 0.853621 0.230156 O\n0.094807 0.146379 0.730156 O\n0.594806 0.353621 0.019844 O\n0.405193 0.646378 0.519844 O\n0.853621 0.905193 0.769844 O\n0.146379 0.094807 0.269844 O\n0.693452 0.049700 0.480947 O\n0.306547 0.950299 0.980947 O\n0.549700 0.806547 0.230947 O\n0.450299 0.193453 0.730947 O\n0.950299 0.306547 0.019053 O\n0.049700 0.693452 0.519053 O\n0.806547 0.549700 0.769053 O\n0.193453 0.450299 0.269053 O\n0.769627 0.535836 0.261824 O\n0.200524 0.275666 0.128108 O\n",
"nsites": 80,
"nelements": 4,
"elements": [
"Li",
"B",
"H",
"O"
],
"chemical_system": "B-H-Li-O",
"density": 2.315985177651381,
"density_atomic": 0.11775350214379963,
"volume": 679.3853137574171,
"volume_molar": 5.114192487154912,
"formula_full": "Li12 B20 H8 O40",
"formula_reduced": "Li3B5(HO5)2",
"formula_anonymous": "A2B3C5D10",
"energy_above_hull": 3.2785368958333336,
"spacegroup": 92
},
{
"id": "jvasp-10124",
"created_at": "2022-09-04T14:38:31.679891Z",
"updated_at": "2022-09-04T14:38:31.679913Z",
"structure_string": "Rb8 Sb8\n1.0\n7.252008 0.000000 0.000000\n0.000000 7.302287 0.000000\n0.000000 0.000000 12.837755\nRb Sb\n8 8\ndirect\n0.325418 0.341011 0.713703 Rb\n0.825418 0.158989 0.286297 Rb\n0.674582 0.841011 0.786297 Rb\n0.174582 0.658989 0.213703 Rb\n0.591189 0.599556 0.418366 Rb\n0.091189 0.900444 0.581634 Rb\n0.408811 0.099556 0.081634 Rb\n0.908811 0.400444 0.918365 Rb\n0.089861 0.448940 0.465810 Sb\n0.589861 0.051060 0.534190 Sb\n0.910139 0.948940 0.034190 Sb\n0.410139 0.551061 0.965810 Sb\n0.823857 0.333025 0.623309 Sb\n0.323857 0.166975 0.376691 Sb\n0.176143 0.833025 0.876691 Sb\n0.676143 0.666975 0.123309 Sb\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Rb",
"Sb"
],
"chemical_system": "Rb-Sb",
"density": 4.049308314469349,
"density_atomic": 0.02353497422527274,
"volume": 679.8392828838792,
"volume_molar": 25.588049098151117,
"formula_full": "Rb8 Sb8",
"formula_reduced": "RbSb",
"formula_anonymous": "AB",
"energy_above_hull": 0.2487787000000001,
"spacegroup": 19
},
{
"id": "jvasp-20920",
"created_at": "2022-09-04T14:37:57.576345Z",
"updated_at": "2022-09-04T14:37:57.576364Z",
"structure_string": "Nd6 Sb10 O24\n1.0\n9.046065 0.000000 -3.198268\n-4.523033 7.834123 -3.198268\n0.000000 0.000000 9.594802\nNd Sb O\n6 10 24\ndirect\n0.500000 0.250000 0.750000 Nd\n0.500000 0.750000 0.250000 Nd\n0.250000 0.750000 0.500000 Nd\n0.750000 0.500000 0.250000 Nd\n0.250000 0.500000 0.750000 Nd\n0.750000 0.250000 0.500000 Nd\n0.278131 0.278131 -0.000000 Sb\n0.721870 0.721869 -0.000000 Sb\n0.000000 0.721869 0.721869 Sb\n0.000000 0.278131 0.278131 Sb\n0.721869 -0.000000 0.721869 Sb\n0.489888 0.489887 0.489887 Sb\n0.510113 -0.000000 -0.000000 Sb\n0.000000 0.510113 -0.000000 Sb\n-0.000000 -0.000000 0.510113 Sb\n0.278131 -0.000000 0.278131 Sb\n0.511422 0.709799 -0.000000 O\n0.709800 0.511421 -0.000000 O\n0.000000 0.709799 0.511421 O\n0.000000 0.511421 0.709799 O\n0.275813 0.802385 0.802385 O\n0.511422 -0.000000 0.709799 O\n0.526574 0.526573 0.724187 O\n0.526574 0.724187 0.526573 O\n0.197615 -0.000000 0.473426 O\n0.197615 0.473426 -0.000000 O\n0.000000 0.197614 0.473426 O\n0.000000 0.473426 0.197614 O\n0.473427 0.197614 -0.000000 O\n0.290201 0.801620 0.290201 O\n0.802386 0.802385 0.275813 O\n0.473427 -0.000000 0.197614 O\n0.724187 0.526573 0.526573 O\n0.801621 0.290201 0.290201 O\n0.488579 0.488579 0.198380 O\n0.488579 0.198380 0.488579 O\n0.709800 -0.000000 0.511421 O\n0.198380 0.488579 0.488578 O\n0.802386 0.275813 0.802385 O\n0.290201 0.290201 0.801620 O\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Nd",
"Sb",
"O"
],
"chemical_system": "Nd-O-Sb",
"density": 6.024746237471504,
"density_atomic": 0.058826618447764274,
"volume": 679.9642926189686,
"volume_molar": 10.237101704813142,
"formula_full": "Nd6 Sb10 O24",
"formula_reduced": "Nd3Sb5O12",
"formula_anonymous": "A3B5C12",
"energy_above_hull": 2.53085685,
"spacegroup": 217
},
{
"id": "jvasp-120470",
"created_at": "2022-09-04T14:38:50.949646Z",
"updated_at": "2022-09-04T14:38:50.949675Z",
"structure_string": "Rb4 Dy4 Br12\n1.0\n7.506654 0.000000 0.000000\n0.000000 8.101209 0.000000\n-0.000000 -0.000000 11.182648\nRb Dy Br\n4 4 12\ndirect\n0.022270 0.437077 0.250000 Rb\n0.977729 0.562923 0.750000 Rb\n0.522270 0.062923 0.750000 Rb\n0.477729 0.937078 0.250000 Rb\n0.000000 0.000000 0.000000 Dy\n0.500000 0.500000 -0.000000 Dy\n0.000000 0.000000 0.500000 Dy\n0.500000 0.500000 0.500000 Dy\n0.447415 0.493428 0.750000 Br\n0.552584 0.506572 0.250000 Br\n0.804567 0.297112 0.527661 Br\n0.195433 0.702888 0.472340 Br\n0.304567 0.202888 0.472340 Br\n0.695433 0.797112 0.972340 Br\n0.695433 0.797112 0.527661 Br\n0.804567 0.297112 0.972340 Br\n0.052585 0.993428 0.750000 Br\n0.304567 0.202888 0.027661 Br\n0.195433 0.702888 0.027661 Br\n0.947415 0.006572 0.250000 Br\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Rb",
"Dy",
"Br"
],
"chemical_system": "Br-Dy-Rb",
"density": 4.763245503763894,
"density_atomic": 0.02940959919604644,
"volume": 680.0500702739471,
"volume_molar": 20.476786235188005,
"formula_full": "Rb4 Dy4 Br12",
"formula_reduced": "RbDyBr3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-97370",
"created_at": "2022-09-04T14:36:00.528500Z",
"updated_at": "2022-09-04T14:36:00.528525Z",
"structure_string": "Li4 Ga4 Br16\n1.0\n6.754035 0.000000 0.000000\n0.000000 7.420347 -0.384536\n0.000000 0.036059 13.569679\nLi Ga Br\n4 4 16\ndirect\n0.510030 0.147892 0.872879 Li\n0.489971 0.852109 0.127121 Li\n0.010030 0.852109 0.627121 Li\n0.989971 0.147892 0.372879 Li\n0.678104 0.299767 0.099826 Ga\n0.821897 0.299767 0.599826 Ga\n0.178103 0.700234 0.400174 Ga\n0.321897 0.700234 0.900174 Ga\n0.671083 0.312946 0.443705 Br\n0.828918 0.312946 0.943705 Br\n0.188272 0.429204 0.303994 Br\n0.688272 0.570796 0.196006 Br\n0.811729 0.570797 0.696006 Br\n0.311728 0.429204 0.803994 Br\n0.328076 0.938276 0.313305 Br\n0.850553 0.811313 0.433263 Br\n0.671925 0.061724 0.686695 Br\n0.649448 0.811314 0.933263 Br\n0.171082 0.687055 0.056295 Br\n0.350553 0.188687 0.066737 Br\n0.149448 0.188687 0.566737 Br\n0.328918 0.687055 0.556295 Br\n0.828076 0.061724 0.186695 Br\n0.171924 0.938276 0.813305 Br\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Li",
"Ga",
"Br"
],
"chemical_system": "Br-Ga-Li",
"density": 3.8698519089998684,
"density_atomic": 0.03528534307722655,
"volume": 680.1690987522181,
"volume_molar": 17.06697522203416,
"formula_full": "Li4 Ga4 Br16",
"formula_reduced": "LiGaBr4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 14
},
{
"id": "jvasp-117119",
"created_at": "2022-09-04T14:38:50.654210Z",
"updated_at": "2022-09-04T14:38:50.654228Z",
"structure_string": "Sr12 Hg4\n1.0\n7.378806 -0.000000 0.000000\n0.000000 8.472345 0.000000\n-0.000000 -0.000000 10.881500\nSr Hg\n12 4\ndirect\n0.337666 0.679260 0.062078 Sr\n0.162334 0.179260 0.437922 Sr\n0.662334 0.320740 0.562078 Sr\n0.837666 0.820741 0.937922 Sr\n0.662334 0.320740 0.937922 Sr\n0.837666 0.820741 0.562078 Sr\n0.337666 0.679260 0.437922 Sr\n0.162334 0.179260 0.062078 Sr\n0.863037 0.530972 0.250000 Sr\n0.636963 0.030972 0.250000 Sr\n0.136963 0.469028 0.750000 Sr\n0.363037 0.969028 0.750000 Sr\n0.052909 0.881363 0.250000 Hg\n0.447091 0.381362 0.250000 Hg\n0.947092 0.118638 0.750000 Hg\n0.552909 0.618638 0.750000 Hg\n",
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"elements": [
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{
"id": "jvasp-96956",
"created_at": "2022-09-04T14:36:33.492856Z",
"updated_at": "2022-09-04T14:36:33.492875Z",
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{
"id": "jvasp-30092",
"created_at": "2022-09-04T14:38:04.096451Z",
"updated_at": "2022-09-04T14:38:04.096486Z",
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"elements": [
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}