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=id&page=4553",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=id&page=4551",
"results": [
{
"id": "jvasp-98122",
"created_at": "2022-09-04T14:35:41.159418Z",
"updated_at": "2022-09-04T14:35:41.159442Z",
"structure_string": "H12 N8 O18\n1.0\n5.972923 0.000000 0.175724\n0.000000 14.021465 0.000000\n0.075771 0.000000 4.360261\nH N O\n12 8 18\ndirect\n0.010939 -0.010782 0.721452 H\n-0.010939 0.489218 0.778547 H\n0.034130 0.003119 0.102163 H\n0.258078 0.030781 0.853890 H\n0.741922 0.530781 0.646109 H\n0.965869 0.503118 0.397836 H\n0.818662 0.417850 0.581640 H\n0.181338 0.917850 -0.081641 H\n0.776316 0.823547 0.626427 H\n0.781576 0.173545 0.405801 H\n0.218424 0.673545 0.094198 H\n0.223683 0.323547 0.873571 H\n0.239177 0.239146 0.521663 N\n0.784744 0.254727 0.049565 N\n0.760822 0.739145 -0.021664 N\n0.215256 0.754726 0.450434 N\n0.602833 0.995417 0.490169 N\n0.121866 -0.013741 -0.100269 N\n0.878133 0.486259 0.600268 N\n0.397166 0.495417 0.009830 N\n0.752118 0.165469 0.184362 O\n0.722891 0.828378 -0.154568 O\n0.127527 0.180907 0.674461 O\n0.109318 0.814311 0.310473 O\n0.890681 0.314311 0.189525 O\n0.872473 0.680907 -0.174462 O\n0.318751 0.230511 0.260603 O\n0.291515 0.763645 0.704415 O\n0.681248 0.730511 0.239396 O\n0.555145 0.453284 0.131737 O\n0.432584 0.562387 0.817544 O\n0.567415 0.062388 0.682455 O\n0.444854 0.953283 0.368262 O\n0.192263 0.469505 0.075289 O\n0.807737 -0.030495 0.424710 O\n0.247881 0.665469 0.315637 O\n0.708485 0.263645 0.795584 O\n0.277108 0.328378 0.654567 O\n",
"nsites": 38,
"nelements": 3,
"elements": [
"H",
"N",
"O"
],
"chemical_system": "H-N-O",
"density": 1.875085765071914,
"density_atomic": 0.1041149014653124,
"volume": 364.98137601042947,
"volume_molar": 5.784129529245509,
"formula_full": "H12 N8 O18",
"formula_reduced": "H6N4O9",
"formula_anonymous": "A4B6C9",
"energy_above_hull": 3.808948657894738,
"spacegroup": 4
},
{
"id": "jvasp-98123",
"created_at": "2022-09-04T14:35:43.375281Z",
"updated_at": "2022-09-04T14:35:43.375301Z",
"structure_string": "H12 Cl4 O20\n1.0\n8.905885 0.000000 0.000000\n0.000000 5.699744 -0.000000\n0.000000 -0.000000 6.861721\nH Cl O\n12 4 20\ndirect\n0.211685 0.250000 0.613349 H\n0.711684 0.250000 0.886650 H\n0.788315 0.749999 0.386650 H\n0.288315 0.749999 0.113349 H\n0.819019 0.250000 0.672441 H\n0.899660 0.250000 0.904386 H\n0.319019 0.250000 0.827558 H\n0.399660 0.250000 0.595614 H\n0.100340 0.749999 0.095614 H\n0.180980 0.749999 0.327558 H\n0.600339 0.749999 0.404386 H\n0.680980 0.749999 0.172442 H\n0.562422 0.749999 0.813543 Cl\n0.062422 0.749999 0.686457 Cl\n0.937577 0.250000 0.313543 Cl\n0.437577 0.250000 0.186457 Cl\n0.073089 0.542156 0.809176 O\n0.310428 0.250000 0.678384 O\n0.810428 0.250000 0.821615 O\n0.426911 0.042156 0.309176 O\n0.926910 0.457844 0.190824 O\n0.573089 0.542156 0.690824 O\n0.073089 0.957843 0.809176 O\n0.573089 0.957843 0.690824 O\n0.426911 0.457844 0.309176 O\n0.309629 0.250000 0.047803 O\n0.421073 0.749999 0.920694 O\n0.921073 0.749999 0.579305 O\n0.578926 0.250000 0.079305 O\n0.078926 0.250000 0.420695 O\n0.690371 0.749999 0.952197 O\n0.190371 0.749999 0.547803 O\n0.189572 0.749999 0.178384 O\n0.809628 0.250000 0.452197 O\n0.926910 0.042156 0.190824 O\n0.689571 0.749999 0.321616 O\n",
"nsites": 36,
"nelements": 3,
"elements": [
"H",
"Cl",
"O"
],
"chemical_system": "Cl-H-O",
"density": 2.259258849840565,
"density_atomic": 0.10335631391429467,
"volume": 348.3096352473637,
"volume_molar": 5.826582365344115,
"formula_full": "H12 Cl4 O20",
"formula_reduced": "H3ClO5",
"formula_anonymous": "AB3C5",
"energy_above_hull": 2.571302396388889,
"spacegroup": 62
},
{
"id": "jvasp-98125",
"created_at": "2022-09-04T14:35:44.924687Z",
"updated_at": "2022-09-04T14:35:44.924700Z",
"structure_string": "Bi8 O12\n1.0\n5.527593 0.000000 0.000000\n-0.000000 8.238942 0.000000\n0.000000 0.000000 8.238942\nBi O\n8 12\ndirect\n0.219633 0.250984 0.514985 Bi\n0.780366 0.514985 0.749016 Bi\n0.219633 0.749016 0.485015 Bi\n0.219633 0.750984 0.985014 Bi\n0.219633 0.249016 0.014985 Bi\n0.780366 0.014985 0.750984 Bi\n0.780366 0.985014 0.249016 Bi\n0.780366 0.485015 0.250984 Bi\n0.000000 0.752072 0.252073 O\n0.500000 0.374283 0.125717 O\n0.500000 0.625717 0.874283 O\n0.500000 0.000000 0.000000 O\n0.000000 0.247927 0.747927 O\n0.500000 0.125717 0.625717 O\n0.000000 0.500000 0.000000 O\n0.000000 0.747927 0.752072 O\n0.000000 0.000000 0.500000 O\n0.000000 0.252073 0.247927 O\n0.500000 0.874283 0.374283 O\n0.500000 0.500000 0.500000 O\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Bi",
"O"
],
"chemical_system": "Bi-O",
"density": 8.248554421006222,
"density_atomic": 0.05330292558678556,
"volume": 375.2139264370555,
"volume_molar": 11.297955400581168,
"formula_full": "Bi8 O12",
"formula_reduced": "Bi2O3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.70285382,
"spacegroup": 117
},
{
"id": "jvasp-98126",
"created_at": "2022-09-04T14:35:47.380605Z",
"updated_at": "2022-09-04T14:35:47.380645Z",
"structure_string": "La4 Ga24 Pd2\n1.0\n6.207575 -0.000000 0.000000\n-0.000000 6.207575 -0.000000\n-0.000000 -0.000000 15.623234\nLa Ga Pd\n4 24 2\ndirect\n0.250000 0.750001 0.755213 La\n0.250000 0.750001 0.244787 La\n0.750001 0.250000 0.755213 La\n0.750001 0.250000 0.244787 La\n0.250000 0.250000 0.342372 Ga\n0.000272 0.500273 0.087728 Ga\n0.750001 0.750001 0.816704 Ga\n0.427870 0.572131 0.428710 Ga\n0.750001 0.750001 0.183296 Ga\n0.499728 0.999729 0.087728 Ga\n0.500273 0.499728 0.087728 Ga\n0.999729 0.499728 0.912272 Ga\n0.750001 0.750001 0.657628 Ga\n0.999729 0.000272 0.087728 Ga\n0.250000 0.250000 0.183296 Ga\n0.927870 0.072131 0.571290 Ga\n0.750001 0.750001 0.342372 Ga\n0.250000 0.250000 0.816704 Ga\n0.572131 0.427870 0.571290 Ga\n0.927870 0.427870 0.428710 Ga\n0.250000 0.250000 0.657628 Ga\n0.072131 0.927870 0.428710 Ga\n0.500273 0.000272 0.912272 Ga\n0.427870 0.927870 0.571290 Ga\n0.572131 0.072131 0.428710 Ga\n0.000272 0.999729 0.912272 Ga\n0.499728 0.500273 0.912272 Ga\n0.072131 0.572131 0.571290 Ga\n0.250000 0.750001 0.000000 Pd\n0.750001 0.250000 0.000000 Pd\n",
"nsites": 30,
"nelements": 3,
"elements": [
"La",
"Ga",
"Pd"
],
"chemical_system": "Ga-La-Pd",
"density": 6.735142164209246,
"density_atomic": 0.04983177607970978,
"volume": 602.0255018005515,
"volume_molar": 12.084941043175181,
"formula_full": "La4 Ga24 Pd2",
"formula_reduced": "La2Ga12Pd",
"formula_anonymous": "AB2C12",
"energy_above_hull": 0.0,
"spacegroup": 125
},
{
"id": "jvasp-98128",
"created_at": "2022-09-04T14:35:49.699443Z",
"updated_at": "2022-09-04T14:35:49.699473Z",
"structure_string": "Pr12 Ru4 Cl12\n1.0\n4.117783 -0.000000 0.000000\n-0.000000 12.322337 0.000000\n0.000000 0.000000 14.268725\nPr Ru Cl\n12 4 12\ndirect\n0.250000 0.834498 0.086738 Pr\n0.250000 0.420999 0.857240 Pr\n0.250000 0.079001 0.357240 Pr\n0.749999 0.920999 0.642760 Pr\n0.749999 0.165502 0.913262 Pr\n0.749999 0.825432 0.396389 Pr\n0.749999 0.579001 0.142760 Pr\n0.250000 0.665503 0.586738 Pr\n0.250000 0.174568 0.603611 Pr\n0.749999 0.334498 0.413262 Pr\n0.749999 0.674568 0.896389 Pr\n0.250000 0.325432 0.103611 Pr\n0.749999 0.098778 0.487130 Ru\n0.250000 0.598778 0.012871 Ru\n0.749999 0.401223 0.987130 Ru\n0.250000 0.901223 0.512871 Ru\n0.749999 0.902345 0.952857 Cl\n0.250000 0.097655 0.047143 Cl\n0.250000 0.402345 0.547143 Cl\n0.749999 0.936794 0.209608 Cl\n0.749999 0.597655 0.452857 Cl\n0.749999 0.215103 0.235308 Cl\n0.250000 0.063206 0.790393 Cl\n0.250000 0.715103 0.264692 Cl\n0.749999 0.284897 0.735308 Cl\n0.749999 0.563206 0.709608 Cl\n0.250000 0.436794 0.290392 Cl\n0.250000 0.784897 0.764692 Cl\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Pr",
"Ru",
"Cl"
],
"chemical_system": "Cl-Pr-Ru",
"density": 5.7811290896973215,
"density_atomic": 0.038673753527769646,
"volume": 724.0052347102701,
"volume_molar": 15.571647980007445,
"formula_full": "Pr12 Ru4 Cl12",
"formula_reduced": "Pr3RuCl3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 1.391838893214286,
"spacegroup": 62
},
{
"id": "jvasp-9813",
"created_at": "2022-09-04T14:38:29.313975Z",
"updated_at": "2022-09-04T14:38:29.313995Z",
"structure_string": "Mg2 Bi4 O10\n1.0\n3.634021 0.014374 0.004079\n-0.020185 5.145687 0.023314\n-0.013142 -0.054540 11.893595\nMg Bi O\n2 4 10\ndirect\n0.812683 0.293837 0.775284 Mg\n0.312590 0.704834 0.275302 Mg\n0.312583 0.705149 0.946122 Bi\n0.812627 0.261461 0.139126 Bi\n0.812693 0.293481 0.446112 Bi\n0.312664 0.737195 0.639121 Bi\n0.812601 0.542695 0.276104 O\n0.312678 0.455967 0.776095 O\n0.812642 0.421508 0.949008 O\n0.312616 0.505103 0.112474 O\n0.812675 0.493541 0.612470 O\n0.312645 0.577119 0.449007 O\n0.312703 0.084467 0.549870 O\n0.312574 0.086441 0.242995 O\n0.812580 0.914149 0.049895 O\n0.812698 0.912228 0.742984 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Bi",
"O"
],
"chemical_system": "Bi-Mg-O",
"density": 7.798443710152556,
"density_atomic": 0.07193822841328903,
"volume": 222.41303897670554,
"volume_molar": 8.371266422356793,
"formula_full": "Mg2 Bi4 O10",
"formula_reduced": "MgBi2O5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 1.7025968937499998,
"spacegroup": 31
},
{
"id": "jvasp-98130",
"created_at": "2022-09-04T14:35:53.722178Z",
"updated_at": "2022-09-04T14:35:53.722195Z",
"structure_string": "K8 Co14 O28\n1.0\n7.544169 -0.000000 0.000000\n-3.772084 6.533442 -0.000000\n0.000000 0.000000 12.306571\nK Co O\n8 14 28\ndirect\n0.420090 0.966291 0.750000 K\n0.033709 0.453797 0.750000 K\n0.579911 0.033708 0.250000 K\n0.546203 0.579911 0.750000 K\n0.453798 0.420089 0.250000 K\n0.000000 0.000000 0.750000 K\n0.966292 0.546202 0.250000 K\n0.000000 0.000000 0.250000 K\n0.428852 0.142705 0.498146 Co\n0.000000 0.000000 0.500000 Co\n0.857295 0.286147 0.001854 Co\n0.286147 0.428852 0.998146 Co\n0.571149 0.857295 0.998146 Co\n0.000000 0.000000 0.000000 Co\n0.713853 0.571148 0.498146 Co\n0.857295 0.286147 0.498146 Co\n0.428852 0.142705 0.001854 Co\n0.142705 0.713853 0.501854 Co\n0.571149 0.857295 0.501854 Co\n0.713853 0.571148 0.001854 Co\n0.286147 0.428852 0.501854 Co\n0.142705 0.713853 0.998146 Co\n0.523123 0.622669 0.075581 O\n0.237037 0.191230 0.421134 O\n0.191230 0.954192 0.578866 O\n0.808771 0.045808 0.078866 O\n0.762963 0.808770 0.578866 O\n0.045808 0.237037 0.578866 O\n0.954193 0.762963 0.421134 O\n0.954193 0.762963 0.078866 O\n0.808771 0.045808 0.421134 O\n0.622670 0.099547 0.575581 O\n0.099547 0.476877 0.424419 O\n0.099547 0.476877 0.075581 O\n0.476877 0.377330 0.924419 O\n0.622670 0.099547 0.924419 O\n0.237037 0.191230 0.078866 O\n0.191230 0.954192 0.921134 O\n0.762963 0.808770 0.921134 O\n0.523123 0.622669 0.424419 O\n0.377331 0.900453 0.424419 O\n0.045808 0.237037 0.921134 O\n0.666667 0.333333 0.415636 O\n0.900454 0.523123 0.575581 O\n0.333333 0.666667 0.915636 O\n0.333333 0.666667 0.584364 O\n0.377331 0.900453 0.075581 O\n0.666667 0.333333 0.084364 O\n0.476877 0.377330 0.575581 O\n0.900454 0.523123 0.924419 O\n",
"nsites": 50,
"nelements": 3,
"elements": [
"K",
"Co",
"O"
],
"chemical_system": "Co-K-O",
"density": 4.34126605410692,
"density_atomic": 0.08242889805354496,
"volume": 606.5833849619161,
"volume_molar": 7.3058610538358515,
"formula_full": "K8 Co14 O28",
"formula_reduced": "K4(CoO2)7",
"formula_anonymous": "A4B7C14",
"energy_above_hull": 2.6525486920000003,
"spacegroup": 176
},
{
"id": "jvasp-98134",
"created_at": "2022-09-04T14:35:56.164943Z",
"updated_at": "2022-09-04T14:35:56.164958Z",
"structure_string": "Ba2 Y1 Cu4 O6\n1.0\n3.937911 0.000000 0.000000\n0.000000 1.892491 13.488087\n0.000000 -1.892491 13.488087\nBa Y Cu O\n2 1 4 6\ndirect\n0.500000 0.642467 0.642467 Ba\n0.500000 0.357533 0.357533 Ba\n0.500000 0.500000 0.500000 Y\n0.000000 0.210897 0.210897 Cu\n0.000000 0.789103 0.789103 Cu\n0.000000 0.060207 0.060207 Cu\n0.000000 0.939793 0.939793 Cu\n0.000000 0.138468 0.138468 O\n0.000000 0.861532 0.861532 O\n0.500000 0.052090 0.052090 O\n0.500000 0.947910 0.947910 O\n0.000000 0.716919 0.716919 O\n0.000000 0.283082 0.283082 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Ba",
"Y",
"Cu",
"O"
],
"chemical_system": "Ba-Cu-O-Y",
"density": 5.895344825570887,
"density_atomic": 0.064664106157349,
"volume": 201.03888807133177,
"volume_molar": 9.312957555380345,
"formula_full": "Ba2 Y1 Cu4 O6",
"formula_reduced": "Ba2Y(Cu2O3)2",
"formula_anonymous": "AB2C4D6",
"energy_above_hull": 1.3044800146153843,
"spacegroup": 65
},
{
"id": "jvasp-9814",
"created_at": "2022-09-04T14:38:30.549894Z",
"updated_at": "2022-09-04T14:38:30.549924Z",
"structure_string": "Zn2 Mo4 O8\n1.0\n5.374269 -0.000000 -2.821561\n-1.481354 5.166079 -2.821560\n-0.248002 -0.329112 6.056633\nZn Mo O\n2 4 8\ndirect\n0.375001 0.625000 0.750000 Zn\n0.625001 0.375000 0.250000 Zn\n0.000000 0.000000 0.500000 Mo\n0.000000 0.500000 0.000000 Mo\n0.500000 0.000000 0.500000 Mo\n0.000000 0.000000 0.000000 Mo\n0.752752 0.758071 0.505504 O\n0.752569 0.247250 0.994497 O\n0.241930 0.247250 0.994497 O\n0.247250 0.241930 0.494497 O\n0.247250 0.752568 0.494497 O\n0.247433 0.752751 0.005504 O\n0.752751 0.247432 0.505504 O\n0.758071 0.752751 0.005504 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Zn",
"Mo",
"O"
],
"chemical_system": "Mo-O-Zn",
"density": 6.745824635470561,
"density_atomic": 0.08850980357656625,
"volume": 158.17456862718225,
"volume_molar": 6.803925120894082,
"formula_full": "Zn2 Mo4 O8",
"formula_reduced": "Zn(MoO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 3.035308028571428,
"spacegroup": 227
},
{
"id": "jvasp-98142",
"created_at": "2022-09-04T14:35:58.386561Z",
"updated_at": "2022-09-04T14:35:58.386591Z",
"structure_string": "P4 C8 S8 N12\n1.0\n7.890883 -0.031217 -1.958312\n-1.141386 7.563352 -1.252845\n-0.131774 -0.008266 9.441139\nP C S N\n4 8 8 12\ndirect\n0.073566 0.257955 0.418186 P\n0.065641 0.464720 0.715268 P\n0.934359 0.535279 0.284731 P\n0.926433 0.742044 0.581814 P\n0.798646 -0.000669 0.269525 C\n0.201354 0.000668 0.730475 C\n0.578365 0.434527 0.185506 C\n0.069367 0.745303 0.122171 C\n0.417055 0.222675 0.470317 C\n0.930633 0.254696 0.877829 C\n0.421634 0.565471 0.814494 C\n0.582945 0.777324 0.529682 C\n0.620984 0.583889 0.844580 S\n0.615982 0.899273 0.178120 S\n0.379016 0.416109 0.155420 S\n0.384018 0.100726 0.821880 S\n0.617971 0.253239 0.518721 S\n0.382028 0.746760 0.481278 S\n0.179264 0.891799 0.075662 S\n0.820736 0.108199 0.924337 S\n0.732185 0.440147 0.205858 N\n0.052863 0.386976 0.303458 N\n0.951520 0.685117 0.422715 N\n0.261567 0.189992 0.431263 N\n0.978353 0.628274 0.150143 N\n0.048479 0.314882 0.577285 N\n0.943012 0.068048 0.340893 N\n0.056987 0.931950 0.659106 N\n0.738432 0.810006 0.568737 N\n0.947136 0.613023 0.696541 N\n0.267814 0.559852 0.794142 N\n0.021647 0.371725 0.849856 N\n",
"nsites": 32,
"nelements": 4,
"elements": [
"P",
"C",
"S",
"N"
],
"chemical_system": "C-N-P-S",
"density": 1.9077043393966018,
"density_atomic": 0.057034076815882136,
"volume": 561.0680804618379,
"volume_molar": 10.558846739013104,
"formula_full": "P4 C8 S8 N12",
"formula_reduced": "PC2S2N3",
"formula_anonymous": "AB2C2D3",
"energy_above_hull": 5.00369440625,
"spacegroup": 2
},
{
"id": "jvasp-98144",
"created_at": "2022-09-04T14:36:00.290952Z",
"updated_at": "2022-09-04T14:36:00.290980Z",
"structure_string": "Ba2 La4 Mn2 S10\n1.0\n7.071355 -0.000000 -3.535353\n-1.767514 6.846894 -3.535353\n-0.036304 -0.046867 8.767066\nBa La Mn S\n2 4 2 10\ndirect\n0.250001 0.250000 0.500000 Ba\n0.750001 0.749999 0.500001 Ba\n0.335217 0.164783 0.000000 La\n0.164783 0.664783 0.000000 La\n0.664784 0.835216 0.000001 La\n0.835218 0.335217 0.000001 La\n0.250001 0.749999 0.500001 Mn\n0.750001 0.250000 0.500001 Mn\n0.500001 0.500000 0.000000 S\n0.496682 0.996680 0.278361 S\n0.996682 0.781679 0.278361 S\n0.281680 0.496681 0.278361 S\n0.003319 0.218320 0.721640 S\n0.718322 0.503318 0.721640 S\n0.503319 0.003318 0.721640 S\n0.218322 0.718320 0.721640 S\n0.781680 0.281679 0.278361 S\n0.000000 0.000000 0.000000 S\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Ba",
"La",
"Mn",
"S"
],
"chemical_system": "Ba-La-Mn-S",
"density": 4.959633907712883,
"density_atomic": 0.04264087907250605,
"volume": 422.130134076106,
"volume_molar": 14.122928258022128,
"formula_full": "Ba2 La4 Mn2 S10",
"formula_reduced": "BaLa2MnS5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 2.058594801264368,
"spacegroup": 140
},
{
"id": "jvasp-98145",
"created_at": "2022-09-04T14:36:03.765122Z",
"updated_at": "2022-09-04T14:36:03.765146Z",
"structure_string": "Na12 Al4 P12 N4 O36\n1.0\n9.295084 -0.000000 -0.000000\n0.000000 9.295084 -0.000000\n0.000000 0.000000 9.295084\nNa Al P N O\n12 4 12 4 36\ndirect\n0.763286 0.736713 0.263287 Na\n0.736713 0.263287 0.763286 Na\n0.263287 0.763286 0.736713 Na\n0.236713 0.236713 0.236713 Na\n0.141812 0.358188 0.641812 Na\n0.358188 0.641812 0.141812 Na\n0.641812 0.141812 0.358188 Na\n0.452149 0.452149 0.452149 Na\n0.858187 0.858187 0.858187 Na\n0.047851 0.547851 0.952149 Na\n0.952149 0.047851 0.547851 Na\n0.547851 0.952149 0.047851 Na\n0.168946 0.831054 0.331054 Al\n0.668946 0.668946 0.668946 Al\n0.831054 0.331054 0.168946 Al\n0.331054 0.168946 0.831054 Al\n0.328209 0.080075 0.508780 P\n0.008780 0.171791 0.919925 P\n0.919925 0.008780 0.171791 P\n0.991219 0.671790 0.580074 P\n0.491219 0.828209 0.419925 P\n0.580074 0.991219 0.671790 P\n0.828209 0.419925 0.491219 P\n0.671790 0.580074 0.991219 P\n0.419925 0.491219 0.828209 P\n0.080075 0.508780 0.328209 P\n0.171791 0.919925 0.008780 P\n0.508780 0.328209 0.080075 P\n0.941912 0.558088 0.441912 N\n0.558088 0.441912 0.941912 N\n0.441912 0.941912 0.558088 N\n0.058088 0.058088 0.058088 N\n0.983547 0.902322 0.282109 O\n0.148629 0.249943 0.878739 O\n0.378739 0.351370 0.750057 O\n0.121260 0.648629 0.250057 O\n0.648629 0.250057 0.121260 O\n0.250057 0.121260 0.648629 O\n0.940196 0.086383 0.799965 O\n0.059803 0.586382 0.700035 O\n0.299965 0.559803 0.913617 O\n0.559803 0.913617 0.299965 O\n0.700035 0.059803 0.586382 O\n0.913617 0.299965 0.559803 O\n0.586382 0.700035 0.059803 O\n0.351370 0.750057 0.378739 O\n0.799965 0.940196 0.086383 O\n0.902322 0.282109 0.983547 O\n0.851370 0.749943 0.621260 O\n0.621260 0.851370 0.749943 O\n0.097677 0.782109 0.516452 O\n0.597677 0.717891 0.483547 O\n0.516452 0.097677 0.782109 O\n0.483547 0.597677 0.717891 O\n0.782109 0.516452 0.097677 O\n0.282109 0.983547 0.902322 O\n0.413617 0.200035 0.440196 O\n0.086383 0.799965 0.940196 O\n0.440196 0.413617 0.200035 O\n0.878739 0.148629 0.249943 O\n0.016453 0.402323 0.217891 O\n0.402323 0.217891 0.016453 O\n0.217891 0.016453 0.402323 O\n0.249943 0.878739 0.148629 O\n0.749943 0.621260 0.851370 O\n0.750057 0.378739 0.351370 O\n0.200035 0.440196 0.413617 O\n0.717891 0.483547 0.597677 O\n",
"nsites": 68,
"nelements": 5,
"elements": [
"Na",
"Al",
"P",
"N",
"O"
],
"chemical_system": "Al-N-Na-O-P",
"density": 2.8689314412993223,
"density_atomic": 0.08467378159533905,
"volume": 803.082119622057,
"volume_molar": 7.112167009122332,
"formula_full": "Na12 Al4 P12 N4 O36",
"formula_reduced": "Na3AlP3NO9",
"formula_anonymous": "ABC3D3E9",
"energy_above_hull": 2.4643777088235286,
"spacegroup": 198
}
]
}