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=spacegroup&page=581",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=579",
"results": [
{
"id": "jvasp-99367",
"created_at": "2022-09-04T14:36:20.129313Z",
"updated_at": "2022-09-04T14:36:20.129324Z",
"structure_string": "La4 Mg2 Ti2 O12\n1.0\n5.576464 0.000000 -0.006718\n0.000000 5.616638 0.000000\n-0.001021 0.000000 7.892708\nLa Mg Ti O\n4 2 2 12\ndirect\n0.993156 0.035550 0.249120 La\n0.006843 0.964451 0.750880 La\n0.493157 0.464450 0.749120 La\n0.506843 0.535550 0.250880 La\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Ti\n0.500000 0.000000 -0.000000 Ti\n0.720212 0.293277 0.458886 O\n0.779787 0.793277 0.041113 O\n0.920912 0.518425 0.743575 O\n0.206129 0.218640 0.542972 O\n0.293870 0.718640 0.957029 O\n0.793870 0.781361 0.457028 O\n0.706129 0.281360 0.042971 O\n0.420913 0.981575 0.243574 O\n0.079087 0.481575 0.256426 O\n0.579087 0.018425 0.756426 O\n0.220213 0.206723 0.958887 O\n0.279787 0.706723 0.541114 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"La",
"Mg",
"Ti",
"O"
],
"chemical_system": "La-Mg-O-Ti",
"density": 5.991458129385323,
"density_atomic": 0.08090375716792995,
"volume": 247.20730779519286,
"volume_molar": 7.4435860222164845,
"formula_full": "La4 Mg2 Ti2 O12",
"formula_reduced": "La2MgTiO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.186122838333333,
"spacegroup": 14
},
{
"id": "jvasp-87286",
"created_at": "2022-09-04T14:36:20.271177Z",
"updated_at": "2022-09-04T14:36:20.271192Z",
"structure_string": "Ba8 H16 O16\n1.0\n9.361801 0.000000 -0.892206\n0.000000 7.898165 0.000000\n0.043184 0.000000 6.792202\nBa H O\n8 16 16\ndirect\n0.895134 0.144799 0.251644 Ba\n0.395134 0.355201 0.751645 Ba\n0.104865 0.855200 0.748355 Ba\n0.604865 0.644799 0.248355 Ba\n0.317925 0.050262 0.281608 Ba\n0.817925 0.449738 0.781608 Ba\n0.682074 0.949737 0.718391 Ba\n0.182074 0.550262 0.218391 Ba\n0.092656 0.238532 0.555485 H\n0.592656 0.261468 0.055485 H\n0.907343 0.761467 0.444514 H\n0.407343 0.738532 0.944514 H\n0.120476 0.274128 0.936538 H\n0.379523 0.774127 0.563461 H\n0.879523 0.725872 0.063461 H\n0.620476 0.225872 0.436538 H\n0.977026 0.148812 0.780831 H\n0.522973 0.648811 0.719168 H\n0.022974 0.851188 0.219168 H\n0.882459 0.539986 0.313275 H\n0.382459 0.960014 0.813275 H\n0.117540 0.460014 0.686724 H\n0.617540 0.039986 0.186724 H\n0.477026 0.351188 0.280831 H\n0.841096 0.702166 0.525720 O\n0.341097 0.797833 0.025721 O\n0.605576 0.339923 0.490605 O\n0.105576 0.160077 -0.009395 O\n0.394424 0.660076 0.509395 O\n0.894424 0.839923 0.009394 O\n0.417276 0.361556 0.152360 O\n0.880615 0.494090 0.177807 O\n0.582723 0.638444 0.847639 O\n0.082724 0.861555 0.347640 O\n0.380615 0.005910 0.677808 O\n0.119384 0.505909 0.822192 O\n0.619384 0.994090 0.322192 O\n0.658903 0.202167 0.974279 O\n0.917276 0.138444 0.652359 O\n0.158903 0.297833 0.474279 O\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Ba",
"H",
"O"
],
"chemical_system": "Ba-H-O",
"density": 4.5294225163947095,
"density_atomic": 0.07959773700324589,
"volume": 502.52684945514034,
"volume_molar": 7.565718557745461,
"formula_full": "Ba8 H16 O16",
"formula_reduced": "Ba(HO)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.6921165940000005,
"spacegroup": 14
},
{
"id": "jvasp-96823",
"created_at": "2022-09-04T14:36:20.428306Z",
"updated_at": "2022-09-04T14:36:20.428328Z",
"structure_string": "U4 Se4 O24\n1.0\n5.422826 0.000000 0.000000\n0.000000 6.664135 -1.686819\n0.000000 -0.064058 13.377517\nU Se O\n4 4 24\ndirect\n0.191712 0.663218 0.854144 U\n0.691712 0.336782 0.645857 U\n0.808289 0.336782 0.145856 U\n0.308288 0.663218 0.354144 U\n0.051164 0.198204 0.386109 Se\n0.448837 0.198204 0.886109 Se\n0.948837 0.801797 0.613891 Se\n0.551164 0.801797 0.113891 Se\n0.638420 0.022458 0.096666 O\n0.401966 0.839412 0.226215 O\n0.857947 0.307308 0.479830 O\n0.138419 0.977542 0.403334 O\n0.901967 0.160589 0.273785 O\n0.197133 0.339664 0.886125 O\n0.642054 0.307308 0.979830 O\n0.980035 0.435611 0.717967 O\n0.357947 0.692692 0.020170 O\n0.142053 0.692692 0.520170 O\n0.861581 0.022458 0.596666 O\n0.361581 0.977542 0.903334 O\n0.802868 0.660337 0.113876 O\n0.098034 0.839412 0.726215 O\n0.019966 0.564389 0.282033 O\n0.519966 0.435611 0.217967 O\n0.598035 0.160589 0.773786 O\n0.603073 0.739274 0.413142 O\n0.396928 0.260727 0.586859 O\n0.103072 0.260727 0.086858 O\n0.302867 0.339664 0.386124 O\n0.480035 0.564389 0.782033 O\n0.896928 0.739274 0.913142 O\n0.697133 0.660337 0.613876 O\n",
"nsites": 32,
"nelements": 3,
"elements": [
"U",
"Se",
"O"
],
"chemical_system": "O-Se-U",
"density": 5.681008428805022,
"density_atomic": 0.06627225056277795,
"volume": 482.85669685666164,
"volume_molar": 9.086971860560832,
"formula_full": "U4 Se4 O24",
"formula_reduced": "USeO6",
"formula_anonymous": "ABC6",
"energy_above_hull": 2.943120045833333,
"spacegroup": 14
},
{
"id": "jvasp-95127",
"created_at": "2022-09-04T14:36:20.902109Z",
"updated_at": "2022-09-04T14:36:20.902135Z",
"structure_string": "Nd4 Al4 Ge8 O28\n1.0\n6.605615 0.000000 0.000000\n0.000000 7.232426 -0.856276\n0.000000 0.022752 11.467283\nNd Al Ge O\n4 4 8 28\ndirect\n0.351797 0.261570 0.025765 Nd\n0.148203 0.761570 0.525765 Nd\n0.851796 0.238430 0.474235 Nd\n0.648203 0.738430 0.974234 Nd\n0.601733 0.017017 0.229876 Al\n0.398266 0.982984 0.770123 Al\n0.101734 0.482983 0.270123 Al\n0.898266 0.517017 0.729876 Al\n0.410806 0.419494 0.720554 Ge\n0.342361 0.241495 0.451283 Ge\n0.157639 0.741496 0.951283 Ge\n0.589194 0.580506 0.279445 Ge\n0.089194 0.919495 0.220554 Ge\n0.910805 0.080506 0.779445 Ge\n0.657638 0.758505 0.548716 Ge\n0.842361 0.258505 0.048716 Ge\n0.659657 0.088415 0.084085 O\n0.551662 0.160590 0.365014 O\n0.051663 0.339410 0.134985 O\n0.448337 0.839410 0.634985 O\n0.948337 0.660590 0.865014 O\n0.159658 0.411585 0.415915 O\n0.379374 0.230442 0.803622 O\n0.500364 0.326189 0.573736 O\n0.879374 0.269558 0.696377 O\n0.620625 0.769558 0.196377 O\n0.120625 0.730443 0.303622 O\n0.181674 0.528455 0.686613 O\n0.681674 0.971546 0.813386 O\n0.818325 0.471545 0.313386 O\n0.318325 0.028455 0.186613 O\n0.617802 0.555674 0.777238 O\n0.340342 0.911585 0.915915 O\n0.117802 0.944326 0.722762 O\n0.882197 0.055674 0.277238 O\n0.173683 0.068556 0.475968 O\n0.673682 0.431444 0.024032 O\n0.826317 0.931444 0.524031 O\n0.326317 0.568556 0.975968 O\n-0.000364 0.826189 0.073736 O\n0.499635 0.673811 0.426264 O\n0.000364 0.173811 0.926264 O\n0.382198 0.444326 0.222762 O\n0.840341 0.588416 0.584084 O\n",
"nsites": 44,
"nelements": 4,
"elements": [
"Nd",
"Al",
"Ge",
"O"
],
"chemical_system": "Al-Ge-Nd-O",
"density": 5.193970186513245,
"density_atomic": 0.0802958101344408,
"volume": 547.9737974662684,
"volume_molar": 7.499943957121817,
"formula_full": "Nd4 Al4 Ge8 O28",
"formula_reduced": "NdAlGe2O7",
"formula_anonymous": "ABC2D7",
"energy_above_hull": 2.16176279090909,
"spacegroup": 14
},
{
"id": "jvasp-98311",
"created_at": "2022-09-04T14:36:20.875758Z",
"updated_at": "2022-09-04T14:36:20.875775Z",
"structure_string": "Fe8 Te4 O20\n1.0\n4.859618 0.000000 0.000000\n0.000000 7.634933 -1.621115\n0.000000 0.128571 10.649135\nFe Te O\n8 4 20\ndirect\n0.052488 0.811917 0.909558 Fe\n0.947513 0.188082 0.090442 Fe\n0.552488 0.188082 0.590441 Fe\n0.432322 0.981887 0.131304 Fe\n0.567678 0.018113 0.868695 Fe\n0.067678 0.981887 0.631304 Fe\n0.447513 0.811917 0.409558 Fe\n0.932322 0.018113 0.368696 Fe\n0.428356 0.361282 0.335453 Te\n0.571645 0.638717 0.664547 Te\n0.071644 0.361282 0.835453 Te\n0.928356 0.638717 0.164547 Te\n0.263406 0.062660 0.987081 O\n0.763406 0.937340 0.512919 O\n0.293990 0.739538 0.564819 O\n0.378313 0.082411 0.731331 O\n0.624858 0.578124 0.341120 O\n0.101154 0.758812 0.317832 O\n0.898847 0.241187 0.682168 O\n0.793990 0.260461 0.935181 O\n0.601154 0.241187 0.182169 O\n0.206010 0.739538 0.064819 O\n0.124857 0.421876 0.158881 O\n0.736595 0.937340 0.012919 O\n0.375143 0.421876 0.658880 O\n0.875143 0.578124 0.841119 O\n0.398846 0.758812 0.817831 O\n0.236595 0.062660 0.487081 O\n0.706010 0.260462 0.435181 O\n0.878314 0.917589 0.768668 O\n0.121687 0.082411 0.231331 O\n0.621687 0.917589 0.268669 O\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Fe",
"Te",
"O"
],
"chemical_system": "Fe-O-Te",
"density": 5.353733274662609,
"density_atomic": 0.0807823315892116,
"volume": 396.1262242680003,
"volume_molar": 7.454774628966331,
"formula_full": "Fe8 Te4 O20",
"formula_reduced": "Fe2TeO5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 2.733298283333333,
"spacegroup": 14
},
{
"id": "jvasp-98587",
"created_at": "2022-09-04T14:36:21.079497Z",
"updated_at": "2022-09-04T14:36:21.079523Z",
"structure_string": "P4 H12 O16\n1.0\n5.678859 0.000000 -0.492509\n0.000000 4.763086 0.000000\n0.061770 0.000000 11.333883\nP H O\n4 12 16\ndirect\n0.215527 0.185568 0.638710 P\n0.800303 0.685617 0.863827 P\n0.800303 0.814385 0.363827 P\n0.215527 0.314433 0.138710 P\n0.532975 0.147016 0.325392 H\n0.532975 0.352985 0.825391 H\n0.482851 0.852955 0.677109 H\n0.864526 0.486474 0.173895 H\n0.151294 0.986469 0.328658 H\n0.482851 0.647046 0.177110 H\n0.864525 0.013527 0.673894 H\n0.283336 0.933299 0.040618 H\n0.732515 0.433237 0.461909 H\n0.732515 0.066764 -0.038091 H\n0.283336 0.566702 0.540618 H\n0.151294 0.513532 0.828657 H\n0.688621 0.387287 0.876573 O\n0.327188 0.887227 0.625947 O\n0.296964 0.181910 0.256564 O\n0.718874 0.681861 0.245974 O\n0.718874 0.818140 0.745974 O\n0.296964 0.318090 0.756563 O\n0.943476 0.346962 0.120515 O\n0.943476 0.153038 0.620515 O\n0.072356 0.653068 0.882023 O\n0.285784 0.140229 0.029538 O\n0.730056 0.640166 0.472996 O\n0.730056 0.859836 0.972996 O\n0.285784 0.359771 0.529537 O\n0.688621 0.112713 0.376573 O\n0.072356 0.846933 0.382023 O\n0.327188 0.612775 0.125947 O\n",
"nsites": 32,
"nelements": 3,
"elements": [
"P",
"H",
"O"
],
"chemical_system": "H-O-P",
"density": 2.1221708860867574,
"density_atomic": 0.10433175620576837,
"volume": 306.71390153624924,
"volume_molar": 5.772107150312729,
"formula_full": "P4 H12 O16",
"formula_reduced": "PH3O4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 2.7686161875,
"spacegroup": 14
},
{
"id": "jvasp-96985",
"created_at": "2022-09-04T14:36:21.371911Z",
"updated_at": "2022-09-04T14:36:21.371934Z",
"structure_string": "Al8 Co2 B4 O20\n1.0\n4.387094 0.000000 0.000000\n0.000000 6.873026 -2.301675\n0.000000 -0.000329 9.601406\nAl Co B O\n8 2 4 20\ndirect\n0.519960 0.702738 0.331663 Al\n0.480039 0.297263 0.668339 Al\n0.005618 0.075513 0.391476 Al\n0.994381 0.924488 0.608525 Al\n0.505617 0.924488 0.108525 Al\n0.494382 0.075513 0.891476 Al\n0.019961 0.297263 0.168338 Al\n0.980039 0.702738 0.831663 Al\n0.000000 0.500000 0.500001 Co\n0.500000 0.500000 0.000000 Co\n0.070184 0.708626 0.148893 B\n0.929815 0.291375 0.851108 B\n0.429816 0.708625 0.648893 B\n0.570184 0.291375 0.351108 B\n0.741718 0.120458 0.242897 O\n0.258281 0.879543 0.757104 O\n0.800571 0.288949 0.995515 O\n0.207238 0.541393 0.185443 O\n0.240897 0.281482 0.344611 O\n0.758280 0.120458 0.742898 O\n0.199428 0.711052 0.004486 O\n0.292761 0.541393 0.685443 O\n0.716597 0.887598 0.938528 O\n0.759102 0.718519 0.655390 O\n0.259102 0.281482 0.844611 O\n0.216597 0.112402 0.561473 O\n0.792761 0.458607 0.814559 O\n0.699427 0.288949 0.495515 O\n0.783402 0.887598 0.438528 O\n0.300572 0.711052 0.504486 O\n0.707238 0.458607 0.314558 O\n0.740897 0.718519 0.155390 O\n0.283402 0.112402 0.061473 O\n0.241719 0.879543 0.257103 O\n",
"nsites": 34,
"nelements": 4,
"elements": [
"Al",
"Co",
"B",
"O"
],
"chemical_system": "Al-B-Co-O",
"density": 3.9975727664410026,
"density_atomic": 0.11744218955789529,
"volume": 289.5041392534586,
"volume_molar": 5.12774905054991,
"formula_full": "Al8 Co2 B4 O20",
"formula_reduced": "Al4Co(BO5)2",
"formula_anonymous": "AB2C4D10",
"energy_above_hull": 3.0112966039215685,
"spacegroup": 14
},
{
"id": "jvasp-98527",
"created_at": "2022-09-04T14:36:22.118111Z",
"updated_at": "2022-09-04T14:36:22.118136Z",
"structure_string": "C4 S4 Cl8\n1.0\n5.920358 0.000000 0.000000\n0.000000 6.290294 -0.956849\n0.000000 -0.007342 9.236641\nC S Cl\n4 4 8\ndirect\n0.413824 0.670629 0.549963 C\n0.586176 0.329370 0.450037 C\n0.913824 0.329371 0.950037 C\n0.086176 0.670629 0.049963 C\n0.566397 0.582560 0.379171 S\n0.433603 0.417440 0.620829 S\n0.933603 0.582560 0.879171 S\n0.066397 0.417440 0.120829 S\n0.947971 0.884423 0.166595 Cl\n0.630010 0.247125 0.978297 Cl\n0.052029 0.115576 0.833405 Cl\n0.130010 0.752874 0.521703 Cl\n0.447971 0.115576 0.333405 Cl\n0.869991 0.247125 0.478297 Cl\n0.369990 0.752874 0.021703 Cl\n0.552029 0.884424 0.666595 Cl\n",
"nsites": 16,
"nelements": 3,
"elements": [
"C",
"S",
"Cl"
],
"chemical_system": "C-Cl-S",
"density": 2.22053361309945,
"density_atomic": 0.04651998008384803,
"volume": 343.93823839050356,
"volume_molar": 12.945278027087802,
"formula_full": "C4 S4 Cl8",
"formula_reduced": "CSCl2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.04968453375,
"spacegroup": 14
},
{
"id": "jvasp-88246",
"created_at": "2022-09-04T14:36:21.951190Z",
"updated_at": "2022-09-04T14:36:21.951217Z",
"structure_string": "P4 H12 O16\n1.0\n6.057224 0.000000 -0.563816\n0.000000 5.315484 0.000000\n-0.176163 0.000000 9.800900\nP H O\n4 12 16\ndirect\n0.216796 0.209082 0.665916 P\n0.783204 0.709082 0.834084 P\n0.783204 0.790917 0.334084 P\n0.216796 0.290918 0.165916 P\n0.539510 0.105702 0.332402 H\n0.539510 0.394297 0.832402 H\n0.460490 0.894297 0.667598 H\n0.869518 0.436422 0.155796 H\n0.130482 0.936422 0.344203 H\n0.460489 0.605702 0.167598 H\n0.869518 0.063577 0.655796 H\n0.298981 0.167636 0.962521 H\n0.701019 0.667636 0.537479 H\n0.701019 0.832363 0.037479 H\n0.298981 0.332363 0.462521 H\n0.130482 0.563577 0.844203 H\n0.704465 0.432419 0.847089 O\n0.295535 0.932419 0.652910 O\n0.283135 0.177439 0.308269 O\n0.716864 0.677439 0.191731 O\n0.716864 0.822560 0.691731 O\n0.283136 0.322560 0.808269 O\n0.962358 0.291461 0.126990 O\n0.962359 0.208538 0.626990 O\n0.037642 0.708538 0.873009 O\n0.319562 0.116514 0.061823 O\n0.680438 0.616513 0.438177 O\n0.680438 0.883485 0.938177 O\n0.319562 0.383486 0.561823 O\n0.704465 0.067580 0.347089 O\n0.037641 0.791461 0.373009 O\n0.295535 0.567580 0.152910 O\n",
"nsites": 32,
"nelements": 3,
"elements": [
"P",
"H",
"O"
],
"chemical_system": "H-O-P",
"density": 2.066134624792093,
"density_atomic": 0.10157685951464551,
"volume": 315.03238191161233,
"volume_molar": 5.928654211968148,
"formula_full": "P4 H12 O16",
"formula_reduced": "PH3O4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 2.7695999375,
"spacegroup": 14
},
{
"id": "jvasp-97651",
"created_at": "2022-09-04T14:36:22.038856Z",
"updated_at": "2022-09-04T14:36:22.038871Z",
"structure_string": "P4 H12 O16\n1.0\n5.678820 0.000000 -0.490185\n0.000000 4.762627 0.000000\n0.060530 0.000000 11.331071\nP H O\n4 12 16\ndirect\n0.207660 0.185123 0.637485 P\n0.792340 0.685123 0.862514 P\n0.792340 0.814878 0.362514 P\n0.207660 0.314878 0.137485 P\n0.525111 0.147656 0.324185 H\n0.525111 0.352344 0.824185 H\n0.474889 0.852345 0.675815 H\n0.856531 0.486805 0.172604 H\n0.143469 0.986806 0.327395 H\n0.474889 0.647657 0.175815 H\n0.856531 0.013195 0.672604 H\n0.275510 0.933712 0.039372 H\n0.724490 0.433712 0.460627 H\n0.724490 0.066289 0.960627 H\n0.275510 0.566289 0.539372 H\n0.143469 0.513195 0.827395 H\n0.680826 0.386694 0.875299 O\n0.319174 0.886694 0.624701 O\n0.289106 0.182460 0.255382 O\n0.710894 0.682460 0.244618 O\n0.710894 0.817541 0.744618 O\n0.289106 0.317541 0.755382 O\n0.935599 0.347150 0.119300 O\n0.935599 0.152851 0.619300 O\n0.064401 0.652851 0.880700 O\n0.278085 0.140670 0.028304 O\n0.721915 0.640670 0.471695 O\n0.721915 0.859331 0.971695 O\n0.278085 0.359331 0.528304 O\n0.680826 0.113307 0.375299 O\n0.064401 0.847150 0.380700 O\n0.319174 0.613307 0.124701 O\n",
"nsites": 32,
"nelements": 3,
"elements": [
"P",
"H",
"O"
],
"chemical_system": "H-O-P",
"density": 2.1229412164792625,
"density_atomic": 0.10436962776608223,
"volume": 306.6026073382172,
"volume_molar": 5.770012683667977,
"formula_full": "P4 H12 O16",
"formula_reduced": "PH3O4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 2.7686061875,
"spacegroup": 14
},
{
"id": "jvasp-43558",
"created_at": "2022-09-04T14:36:22.238192Z",
"updated_at": "2022-09-04T14:36:22.238207Z",
"structure_string": "Mn6 O8 F4\n1.0\n0.000000 4.508370 0.027274\n4.525682 0.000000 0.000000\n0.000000 -4.529861 -8.860467\nMn O F\n6 8 4\ndirect\n0.000000 0.000000 0.000000 Mn\n0.305744 0.018839 0.341824 Mn\n0.694257 0.981161 0.658177 Mn\n0.305744 0.481161 0.841824 Mn\n0.694257 0.518839 0.158177 Mn\n0.000000 0.500000 0.500000 Mn\n0.295797 0.802749 0.501204 O\n0.977047 0.819539 0.167564 O\n0.022954 0.319540 0.332437 O\n0.704205 0.302749 0.998797 O\n0.295796 0.697250 0.001203 O\n0.022954 0.180460 0.832437 O\n0.704204 0.197250 0.498797 O\n0.977047 0.680460 0.667564 O\n0.371775 0.294282 0.666652 F\n0.371775 0.205718 0.166652 F\n0.628226 0.705717 0.333349 F\n0.628226 0.794282 0.833349 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.916589038013373,
"density_atomic": 0.09987518387070421,
"volume": 180.2249498063736,
"volume_molar": 6.029666756655092,
"formula_full": "Mn6 O8 F4",
"formula_reduced": "Mn3(O2F)2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 2.6879895876819924,
"spacegroup": 14
},
{
"id": "jvasp-28381",
"created_at": "2022-09-04T14:36:22.383491Z",
"updated_at": "2022-09-04T14:36:22.383516Z",
"structure_string": "Pd2 Cl4\n1.0\n5.230532 0.000000 -1.660868\n0.000000 3.954132 0.000000\n-0.000873 0.000000 6.496072\nPd Cl\n2 4\ndirect\n0.000000 0.000000 0.500000 Pd\n0.000000 0.500000 0.000000 Pd\n0.257877 0.247526 0.315295 Cl\n0.742123 0.747526 0.184705 Cl\n0.742123 0.752473 0.684705 Cl\n0.257877 0.252474 0.815294 Cl\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Pd",
"Cl"
],
"chemical_system": "Cl-Pd",
"density": 4.3835118748474216,
"density_atomic": 0.04466032991651303,
"volume": 134.34741774671747,
"volume_molar": 13.484317673554244,
"formula_full": "Pd2 Cl4",
"formula_reduced": "PdCl2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.3899812783333333,
"spacegroup": 14
}
]
}