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=4633",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nsites&page=4631",
"results": [
{
"id": "jvasp-97313",
"created_at": "2022-09-04T14:35:45.109304Z",
"updated_at": "2022-09-04T14:35:45.109319Z",
"structure_string": "Y16 Al4 Si4 N4 O32\n1.0\n7.186791 0.000000 -2.505644\n0.000000 10.433638 0.000000\n-0.050460 0.000000 10.894393\nY Al Si N O\n16 4 4 4 32\ndirect\n0.824714 0.381094 0.929269 Y\n0.019103 0.400433 0.280473 Y\n0.980897 0.900433 0.219528 Y\n0.980897 0.599567 0.719528 Y\n0.019103 0.099567 0.780472 Y\n0.531509 0.409256 0.309256 Y\n0.468491 0.590745 0.690744 Y\n0.531509 0.090745 0.809256 Y\n0.468491 0.909256 0.190744 Y\n0.655085 0.627426 0.080517 Y\n0.655085 0.872574 0.580517 Y\n0.344915 0.372574 0.919483 Y\n0.824714 0.118906 0.429269 Y\n0.175285 0.618906 0.070731 Y\n0.175285 0.881094 0.570731 Y\n0.344915 0.127426 0.419483 Y\n0.737890 0.313762 0.631416 Al\n0.262110 0.813762 0.868584 Al\n0.262110 0.686238 0.368584 Al\n0.737890 0.186238 0.131416 Al\n0.156431 0.182621 0.113517 Si\n0.843569 0.682621 0.386483 Si\n0.843569 0.817379 0.886483 Si\n0.156431 0.317379 0.613517 Si\n0.952715 0.255126 0.612475 N\n0.047285 0.755126 0.887525 N\n0.047285 0.744874 0.387525 N\n0.952715 0.244874 0.112475 N\n0.421104 0.767964 0.019917 O\n0.421104 0.732036 0.519917 O\n0.578896 0.232036 0.980083 O\n0.180413 0.295745 0.470062 O\n0.819587 0.795745 0.029938 O\n0.819587 0.704255 0.529938 O\n0.566534 0.506007 0.893239 O\n0.433466 0.006007 0.606761 O\n0.578896 0.267964 0.480083 O\n0.566534 0.993994 0.393239 O\n0.433466 0.493993 0.106761 O\n0.924387 0.975797 0.601473 O\n0.075613 0.475797 0.898527 O\n0.180413 0.204255 0.970062 O\n0.315307 0.258664 0.234611 O\n0.282370 0.973495 0.821740 O\n0.684693 0.741337 0.765389 O\n0.315307 0.241336 0.734611 O\n0.747203 0.277067 0.272778 O\n0.252797 0.777067 0.227222 O\n0.252797 0.722933 0.727222 O\n0.747203 0.222933 0.772778 O\n0.194245 0.029911 0.160724 O\n0.805754 0.529911 0.339276 O\n0.805754 0.970089 0.839276 O\n0.194245 0.470089 0.660724 O\n0.717629 0.026505 0.178260 O\n0.282370 0.526505 0.321740 O\n0.075613 0.024203 0.398527 O\n0.717629 0.473495 0.678260 O\n0.684693 0.758664 0.265389 O\n0.924387 0.524203 0.101473 O\n",
"nsites": 60,
"nelements": 5,
"elements": [
"Y",
"Al",
"Si",
"N",
"O"
],
"chemical_system": "Al-N-O-Si-Y",
"density": 4.501120058534533,
"density_atomic": 0.07356636781373808,
"volume": 815.5900825756869,
"volume_molar": 8.185997132884683,
"formula_full": "Y16 Al4 Si4 N4 O32",
"formula_reduced": "Y4AlSiNO8",
"formula_anonymous": "ABCD4E8",
"energy_above_hull": 3.1587902966666666,
"spacegroup": 14
},
{
"id": "jvasp-95243",
"created_at": "2022-09-04T14:35:45.080282Z",
"updated_at": "2022-09-04T14:35:45.080293Z",
"structure_string": "Na4 B12 H16 O28\n1.0\n8.887491 4.942383 -2.254594\n-8.887491 4.942383 2.254594\n-0.001273 0.000000 6.230245\nNa B H O\n4 12 16 28\ndirect\n0.936694 0.590982 0.599550 Na\n0.590982 0.936693 0.900449 Na\n0.063306 0.409017 0.400449 Na\n0.409017 0.063306 0.099550 Na\n0.675667 0.717187 0.484263 B\n0.717187 0.675667 0.015736 B\n0.324333 0.282812 0.515736 B\n0.282812 0.324332 0.984263 B\n0.995444 0.802343 0.002058 B\n0.802343 0.995444 0.497942 B\n0.004555 0.197656 0.997941 B\n0.510546 0.829398 0.445100 B\n0.829398 0.510546 0.054899 B\n0.489453 0.170601 0.554899 B\n0.170601 0.489453 0.945100 B\n0.197656 0.004555 0.502058 B\n0.634017 0.130840 0.447384 H\n0.031019 0.131608 0.526507 H\n0.131608 0.031019 0.973492 H\n0.868391 0.968980 0.026508 H\n0.365982 0.869159 0.552616 H\n0.869159 0.365982 0.947383 H\n0.130840 0.634017 0.052616 H\n0.968981 0.868391 0.473492 H\n0.757873 0.364985 0.334873 H\n0.635015 0.242126 0.834873 H\n0.242127 0.635014 0.665126 H\n0.614507 0.492338 0.501819 H\n0.492338 0.614506 0.998180 H\n0.385493 0.507661 0.498180 H\n0.507662 0.385493 0.001820 H\n0.364985 0.757873 0.165126 H\n0.936707 0.136246 0.519839 O\n0.132919 0.190669 0.982288 O\n0.190669 0.132919 0.517711 O\n0.867080 0.809330 0.017712 O\n0.809330 0.867080 0.482288 O\n0.975784 0.662843 0.998568 O\n0.337156 0.024216 0.498568 O\n0.136246 0.936706 0.980160 O\n0.662843 0.975784 0.501432 O\n0.303994 0.465115 0.985214 O\n0.465116 0.303994 0.514785 O\n0.024216 0.337156 0.001432 O\n0.063293 0.863753 0.480161 O\n0.595614 0.202656 0.402526 O\n0.404386 0.797343 0.597474 O\n0.797343 0.404386 0.902525 O\n0.202656 0.595613 0.097474 O\n0.458267 0.857425 0.213296 O\n0.857425 0.458267 0.286704 O\n0.541733 0.142574 0.786704 O\n0.142574 0.541732 0.713295 O\n0.704054 0.602464 0.494511 O\n0.602464 0.704054 0.005489 O\n0.295945 0.397535 0.505489 O\n0.397536 0.295945 0.994510 O\n0.696006 0.534884 0.014785 O\n0.863753 0.063293 0.019839 O\n0.534884 0.696006 0.485215 O\n",
"nsites": 60,
"nelements": 4,
"elements": [
"Na",
"B",
"H",
"O"
],
"chemical_system": "B-H-Na-O",
"density": 2.080746783436869,
"density_atomic": 0.10962839855186618,
"volume": 547.3034432005633,
"volume_molar": 5.493230622310761,
"formula_full": "Na4 B12 H16 O28",
"formula_reduced": "NaB3H4O7",
"formula_anonymous": "AB3C4D7",
"energy_above_hull": 3.1737554166666677,
"spacegroup": 15
},
{
"id": "jvasp-97564",
"created_at": "2022-09-04T14:35:41.865488Z",
"updated_at": "2022-09-04T14:35:41.865512Z",
"structure_string": "Na5 H29 I2 O24\n1.0\n8.035751 0.235874 4.089240\n-0.225732 8.822903 1.995342\n0.609903 0.247856 8.503735\nNa H I O\n5 29 2 24\ndirect\n0.239753 0.106617 0.146922 Na\n0.760246 0.893383 0.853078 Na\n0.000000 0.000000 0.000000 Na\n0.268390 0.368215 0.373044 Na\n0.731609 0.631785 0.626956 Na\n0.052179 0.081492 0.627250 H\n0.107438 0.696409 0.418350 H\n0.892561 0.303590 0.581651 H\n0.056213 0.723390 0.262065 H\n0.943786 0.276609 0.737935 H\n0.736381 0.572371 0.971076 H\n0.930368 0.604786 0.809977 H\n0.947820 -0.081492 0.372751 H\n0.000846 0.345652 0.920621 H\n-0.000846 0.654348 0.079379 H\n0.828009 0.252942 0.080758 H\n0.171991 0.747058 0.919243 H\n0.263618 0.427628 0.028925 H\n0.155474 0.926299 0.640461 H\n0.069632 0.395213 0.190023 H\n0.495832 0.843977 0.857640 H\n0.844526 0.073701 0.359539 H\n0.500439 0.561310 0.243761 H\n0.500000 -0.000000 0.000000 H\n0.399137 0.819621 0.176763 H\n0.600862 0.180379 0.823237 H\n0.322211 0.204908 0.742335 H\n0.499560 0.438690 0.756239 H\n0.393470 0.043462 0.778663 H\n0.606529 0.956538 0.221337 H\n0.508111 0.161744 0.324672 H\n0.491889 0.838256 0.675329 H\n0.677789 0.795092 0.257665 H\n0.504168 0.156023 0.142361 H\n0.334520 0.594369 0.615908 I\n0.665480 0.405631 0.384092 I\n0.707604 0.893401 0.164602 O\n0.429110 0.139534 0.284132 O\n0.570890 0.860466 0.715869 O\n0.957619 0.025293 0.302155 O\n-0.008184 0.280140 0.602342 O\n0.008184 0.719861 0.397658 O\n0.810501 0.636021 0.843043 O\n0.292396 0.106599 0.835398 O\n0.189499 0.363979 0.156958 O\n0.042381 0.974707 0.697845 O\n0.407434 0.886242 0.062958 O\n0.676177 0.212676 0.347367 O\n0.597270 0.620014 0.435715 O\n0.402730 0.379986 0.564286 O\n0.115884 0.523207 0.794927 O\n0.884116 0.476793 0.205074 O\n0.585135 0.479837 0.194628 O\n0.414865 0.520163 0.805372 O\n0.323823 0.787323 0.652633 O\n0.691888 0.359142 0.592958 O\n0.308112 0.640858 0.407042 O\n0.928187 0.255533 0.953644 O\n0.592566 0.113758 0.937042 O\n0.071812 0.744467 0.046356 O\n",
"nsites": 60,
"nelements": 4,
"elements": [
"Na",
"H",
"I",
"O"
],
"chemical_system": "H-I-Na-O",
"density": 2.2487319024514973,
"density_atomic": 0.10390769649404437,
"volume": 577.4355704578534,
"volume_molar": 5.795663808546817,
"formula_full": "Na5 H29 I2 O24",
"formula_reduced": "Na5H29(IO12)2",
"formula_anonymous": "A2B5C24D29",
"energy_above_hull": 2.780521525833333,
"spacegroup": 2
},
{
"id": "jvasp-97427",
"created_at": "2022-09-04T14:35:40.820307Z",
"updated_at": "2022-09-04T14:35:40.820332Z",
"structure_string": "K20 Li4 Ge8 O28\n1.0\n6.243568 0.018221 0.000000\n-2.705697 9.967396 0.000000\n0.000000 0.000000 15.875680\nK Li Ge O\n20 4 8 28\ndirect\n0.829648 0.582122 0.433126 K\n0.170662 0.388567 0.155473 K\n0.495714 0.264159 0.870436 K\n0.788818 0.090304 0.165600 K\n0.995714 0.764159 0.629564 K\n0.829338 0.611434 0.844527 K\n0.504286 0.735842 0.129564 K\n0.329338 0.111434 0.655473 K\n0.820845 0.078700 0.556827 K\n0.670662 0.888567 0.344527 K\n0.004286 0.235841 0.370436 K\n0.320844 0.578701 0.943173 K\n0.288818 0.590304 0.334400 K\n0.711182 0.409696 0.665600 K\n0.329648 0.082122 0.066874 K\n0.179155 0.921300 0.443173 K\n0.211181 0.909696 0.834400 K\n0.679156 0.421300 0.056827 K\n0.670352 0.917878 0.933126 K\n0.170352 0.417878 0.566874 K\n0.399964 0.104867 0.279609 Li\n0.100036 0.395133 0.779609 Li\n0.899964 0.604867 0.220391 Li\n0.600036 0.895133 0.720391 Li\n0.616318 0.388724 0.265658 Ge\n0.383682 0.611276 0.734342 Ge\n0.508720 0.244610 0.446793 Ge\n0.116318 0.888724 0.234342 Ge\n0.883682 0.111276 0.765658 Ge\n0.491280 0.755390 0.553207 Ge\n0.008719 0.744610 0.053207 Ge\n0.991281 0.255390 0.946793 Ge\n0.438338 0.889646 0.612689 O\n0.561662 0.110355 0.387311 O\n0.593345 0.070474 0.783183 O\n0.739432 0.325830 0.509126 O\n0.239432 0.825831 0.990874 O\n0.464703 0.370984 0.367691 O\n0.435332 0.466210 0.782053 O\n0.760568 0.174170 0.009126 O\n0.490104 0.752195 0.798534 O\n0.035297 0.129016 0.867691 O\n0.964703 0.870984 0.132309 O\n0.245493 0.307232 0.002288 O\n0.938338 0.389645 0.887311 O\n0.406655 0.929526 0.216817 O\n0.564668 0.533790 0.217947 O\n0.745493 0.807232 0.497712 O\n0.254507 0.192768 0.502288 O\n0.509896 0.247805 0.201466 O\n0.009895 0.747805 0.298534 O\n0.906655 0.429526 0.283183 O\n0.093345 0.570474 0.716817 O\n0.935331 0.966210 0.717947 O\n0.990104 0.252195 0.701466 O\n0.061662 0.610355 0.112689 O\n0.754507 0.692768 0.997712 O\n0.064668 0.033790 0.282053 O\n0.535297 0.629016 0.632309 O\n0.260568 0.674170 0.490874 O\n",
"nsites": 60,
"nelements": 4,
"elements": [
"K",
"Li",
"Ge",
"O"
],
"chemical_system": "Ge-K-Li-O",
"density": 3.08816591282555,
"density_atomic": 0.06068207760343746,
"volume": 988.7598178840399,
"volume_molar": 9.924084668549424,
"formula_full": "K20 Li4 Ge8 O28",
"formula_reduced": "K5LiGe2O7",
"formula_anonymous": "AB2C5D7",
"energy_above_hull": 1.0728964266666663,
"spacegroup": 14
},
{
"id": "jvasp-98627",
"created_at": "2022-09-04T14:36:11.695811Z",
"updated_at": "2022-09-04T14:36:11.695823Z",
"structure_string": "Na8 Si12 H8 O32\n1.0\n6.387509 0.000000 -3.568703\n0.000000 12.762272 0.000000\n-0.049916 0.000000 9.064179\nNa Si H O\n8 12 8 32\ndirect\n0.143069 0.668779 0.495063 Na\n0.856931 0.168779 0.004937 Na\n0.856931 0.331221 0.504937 Na\n0.143068 0.831221 0.995063 Na\n0.291801 0.076436 0.963583 Na\n0.708198 0.576436 0.536417 Na\n0.708199 0.923564 0.036417 Na\n0.291801 0.423564 0.463583 Na\n0.225043 0.370086 0.066516 Si\n0.774957 0.870086 0.433485 Si\n0.774956 0.629914 0.933485 Si\n0.225043 0.129914 0.566516 Si\n0.361798 0.304830 0.814404 Si\n0.638201 0.804830 0.685596 Si\n0.253658 0.604610 0.183250 Si\n0.361798 0.195170 0.314404 Si\n0.746342 0.104610 0.316751 Si\n0.746342 0.395390 0.816751 Si\n0.253658 0.895390 0.683250 Si\n0.638202 0.695170 0.185596 Si\n0.793706 0.099749 0.672416 H\n0.206294 0.900251 0.327584 H\n0.793706 0.400251 0.172416 H\n0.206293 0.599749 0.827584 H\n0.840670 0.002599 0.793545 H\n0.840671 0.497400 0.293545 H\n0.159329 0.502599 0.706456 H\n0.159329 0.997400 0.206456 H\n0.628342 0.685254 0.000154 O\n0.628341 0.814745 0.500154 O\n0.371658 0.314745 -0.000154 O\n0.390302 0.810209 0.638329 O\n0.609697 0.310209 0.861671 O\n0.609697 0.189791 0.361671 O\n0.288667 0.318807 0.251955 O\n0.711333 0.818807 0.248045 O\n0.711333 0.681192 0.748045 O\n0.288666 0.181192 0.751955 O\n0.118123 0.578465 0.709812 O\n0.881877 0.078465 0.790189 O\n0.371658 0.185255 0.499846 O\n0.390302 0.689791 0.138329 O\n0.018412 0.658402 0.067904 O\n0.675475 0.411094 0.623021 O\n0.981588 0.341597 0.932096 O\n0.018412 0.841597 0.567904 O\n0.209295 0.385241 0.673531 O\n0.790705 0.885241 0.826469 O\n0.790705 0.614759 0.326469 O\n0.209295 0.114759 0.173531 O\n0.259131 0.495769 0.085035 O\n0.740869 0.995769 0.414965 O\n0.740869 0.504231 0.914965 O\n0.259131 0.004231 0.585035 O\n0.324524 0.588905 0.376979 O\n0.675476 0.088905 0.123021 O\n0.881877 0.421535 0.290189 O\n0.324524 0.911094 0.876979 O\n0.981588 0.158403 0.432096 O\n0.118123 0.921535 0.209812 O\n",
"nsites": 60,
"nelements": 4,
"elements": [
"Na",
"Si",
"H",
"O"
],
"chemical_system": "H-Na-O-Si",
"density": 2.3466336430216694,
"density_atomic": 0.08145195724071182,
"volume": 736.6305492535228,
"volume_molar": 7.393488092868044,
"formula_full": "Na8 Si12 H8 O32",
"formula_reduced": "Na2Si3(HO4)2",
"formula_anonymous": "A2B2C3D8",
"energy_above_hull": 2.525261453333333,
"spacegroup": 14
},
{
"id": "jvasp-98907",
"created_at": "2022-09-04T14:36:03.358747Z",
"updated_at": "2022-09-04T14:36:03.358771Z",
"structure_string": "B10 H24 N2 O24\n1.0\n11.296214 0.000000 0.000000\n0.000000 5.464170 4.474275\n0.000000 -5.464170 4.474275\nB H N O\n10 24 2 24\ndirect\n0.500000 0.104126 0.104126 B\n0.000000 0.604125 0.604125 B\n0.316318 0.301584 0.100810 B\n0.683681 0.100810 0.301584 B\n0.183681 0.801584 0.600810 B\n0.816318 0.600810 0.801584 B\n0.297205 0.958312 0.057185 B\n0.702795 0.057185 0.958312 B\n0.202795 0.458312 0.557185 B\n0.797205 0.557185 0.458312 B\n0.985380 0.499284 0.207268 H\n0.014619 0.207268 0.499284 H\n0.027479 0.165439 0.024611 H\n0.972521 0.024611 0.165439 H\n0.430487 0.429909 0.491280 H\n0.930487 -0.008720 0.929909 H\n0.069513 0.929909 -0.008720 H\n0.569513 0.491280 0.429909 H\n0.485380 0.707267 0.999284 H\n0.472521 0.665439 0.524610 H\n0.514619 0.999284 0.707267 H\n0.527479 0.524610 0.665439 H\n-0.001312 0.511359 0.983258 H\n0.498688 0.483258 0.011360 H\n0.501312 0.011360 0.483258 H\n0.752329 0.538016 0.180783 H\n0.247670 0.180783 0.538016 H\n0.747670 0.038016 0.680783 H\n0.252330 0.680783 0.038016 H\n0.001312 0.983258 0.511359 H\n0.671675 0.607462 0.961654 H\n0.328324 0.961654 0.607462 H\n0.828324 0.107463 0.461654 H\n0.171675 0.461654 0.107463 H\n0.500000 0.525403 0.525403 N\n0.000000 0.025404 0.025404 N\n0.471402 0.945525 0.585776 O\n0.719930 0.519566 0.306851 O\n0.280070 0.306851 0.519566 O\n0.780070 0.019566 0.806851 O\n0.528598 0.585776 0.945525 O\n0.219930 0.806851 0.019566 O\n0.760871 0.613970 0.976325 O\n0.239128 0.976325 0.613970 O\n0.739128 0.113971 0.476326 O\n0.260872 0.476326 0.113971 O\n0.745784 0.574431 0.638711 O\n0.416936 0.937988 0.074812 O\n0.754216 0.074432 0.138712 O\n0.245784 0.138712 0.074432 O\n0.916936 0.574812 0.437988 O\n0.083063 0.437988 0.574812 O\n0.583063 0.074812 0.937988 O\n0.936916 0.610538 0.789847 O\n0.063084 0.789847 0.610538 O\n0.563084 0.110538 0.289847 O\n0.436916 0.289847 0.110538 O\n0.028598 0.445525 0.085776 O\n0.254216 0.638711 0.574431 O\n0.971401 0.085776 0.445525 O\n",
"nsites": 60,
"nelements": 4,
"elements": [
"B",
"H",
"N",
"O"
],
"chemical_system": "B-H-N-O",
"density": 1.6363541335215177,
"density_atomic": 0.10862792094132727,
"volume": 552.344180760005,
"volume_molar": 5.543824007506056,
"formula_full": "B10 H24 N2 O24",
"formula_reduced": "B5H12NO12",
"formula_anonymous": "AB5C12D12",
"energy_above_hull": 3.692423938888889,
"spacegroup": 41
},
{
"id": "jvasp-97936",
"created_at": "2022-09-04T14:36:11.383665Z",
"updated_at": "2022-09-04T14:36:11.383692Z",
"structure_string": "In4 H28 N8 O4 F16\n1.0\n6.818044 0.000000 0.000000\n0.000000 8.542216 0.000000\n0.000000 0.000000 9.276555\nIn H N O F\n4 28 8 4 16\ndirect\n0.863276 0.709277 0.451309 In\n0.636724 0.290723 0.951309 In\n0.363276 0.790724 0.548690 In\n0.136724 0.209277 0.048691 In\n0.782712 0.786748 0.785325 H\n0.717287 0.213252 0.285326 H\n0.282712 0.713252 0.214674 H\n0.217287 0.286748 0.714674 H\n0.739440 0.781410 0.964711 H\n0.239441 0.718591 0.035288 H\n0.915936 0.178853 0.689230 H\n0.260559 0.281410 0.535288 H\n0.911317 0.905364 0.895023 H\n0.411317 0.594637 0.104977 H\n0.088682 0.405364 0.604977 H\n0.760559 0.218591 0.464711 H\n0.584063 0.821148 0.189230 H\n0.588682 0.094637 0.395023 H\n0.084063 0.678853 0.810770 H\n0.415936 0.321147 0.310770 H\n-0.001641 0.478992 0.254020 H\n0.501641 0.521009 0.754019 H\n0.498359 0.021009 0.745980 H\n0.001641 0.978992 0.245980 H\n0.732300 0.493289 0.716167 H\n0.767699 0.506711 0.216167 H\n0.232301 0.006711 0.283833 H\n0.947282 0.573046 0.917192 H\n0.552717 0.426954 0.417192 H\n0.447282 0.926955 0.082807 H\n0.052717 0.073046 0.582807 H\n0.267699 0.993289 0.783832 H\n0.650865 0.205701 0.386441 N\n0.150865 0.294299 0.613559 N\n0.849134 0.794299 0.886440 N\n0.349135 0.705701 0.113559 N\n0.508660 0.817528 0.093048 N\n0.491340 0.317528 0.406952 N\n0.008660 0.682472 0.906952 N\n0.991339 0.182472 0.593047 N\n0.869864 0.516893 0.293060 O\n0.630136 0.483108 0.793060 O\n0.369864 0.983108 0.706939 O\n0.130136 0.016893 0.206939 O\n0.829224 0.188941 0.117329 F\n0.670775 0.811060 0.617328 F\n0.108594 0.026854 0.899702 F\n0.391406 0.973147 0.399702 F\n0.608594 0.473146 0.100297 F\n0.891406 0.526854 0.600297 F\n0.184363 0.397923 0.185430 F\n0.446741 0.153409 0.095973 F\n0.684363 0.102077 0.814570 F\n0.815637 0.897923 0.314570 F\n0.053259 0.846592 0.595972 F\n0.946740 0.346591 0.904027 F\n0.553259 0.653409 0.404027 F\n0.170775 0.688941 0.382671 F\n0.315637 0.602077 0.685429 F\n0.329225 0.311060 0.882671 F\n",
"nsites": 60,
"nelements": 5,
"elements": [
"In",
"H",
"N",
"O",
"F"
],
"chemical_system": "F-H-In-N-O",
"density": 2.9736644676913255,
"density_atomic": 0.11105399290988525,
"volume": 540.2777372326179,
"volume_molar": 5.422714305181863,
"formula_full": "In4 H28 N8 O4 F16",
"formula_reduced": "InH7N2OF4",
"formula_anonymous": "ABC2D4E7",
"energy_above_hull": 2.3737327400000003,
"spacegroup": 19
},
{
"id": "jvasp-29421",
"created_at": "2022-09-04T14:38:03.414173Z",
"updated_at": "2022-09-04T14:38:03.414189Z",
"structure_string": "Mg4 H24 C8 O24\n1.0\n7.197630 -0.000000 0.000000\n0.000000 8.507897 0.000000\n0.000000 0.000000 8.731124\nMg H C O\n4 24 8 24\ndirect\n0.500000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.347107 0.515465 0.620467 H\n0.642873 0.123730 0.994821 H\n0.847107 0.984536 0.620467 H\n0.417606 0.187823 0.170574 H\n0.152893 0.515465 0.120468 H\n0.357127 0.876270 0.005179 H\n0.857127 0.623730 0.005179 H\n0.642873 0.623730 0.505178 H\n0.582394 0.312178 0.670574 H\n0.082394 0.187823 0.670574 H\n0.652893 0.484535 0.379532 H\n0.142873 0.376270 0.994821 H\n0.347107 0.015465 0.879532 H\n0.857127 0.123730 0.494821 H\n0.652893 0.984536 0.120468 H\n0.357127 0.376270 0.494821 H\n0.917606 0.812178 0.329426 H\n0.417606 0.687823 0.329426 H\n0.082394 0.687823 0.829426 H\n0.582394 0.812178 0.829426 H\n0.142873 0.876270 0.505178 H\n0.152893 0.015465 0.379532 H\n0.917606 0.312178 0.170574 H\n0.847107 0.484535 0.879532 H\n0.520392 0.234807 0.759105 C\n0.979608 0.734807 0.240894 C\n0.979608 0.234807 0.259106 C\n0.020392 0.265194 0.759105 C\n0.479608 0.765194 0.240894 C\n0.479608 0.265194 0.259106 C\n0.520392 0.734807 0.740894 C\n0.020392 0.765194 0.740894 C\n0.478587 0.218368 0.397205 O\n0.978587 0.781633 0.102795 O\n0.218637 0.465040 0.032741 O\n0.454954 0.603151 0.782390 O\n0.718637 0.534960 0.467258 O\n0.521413 0.281633 0.897205 O\n0.954954 0.396850 0.717610 O\n0.954954 0.896850 0.782390 O\n0.021413 0.218368 0.897205 O\n0.521413 0.781633 0.602794 O\n0.545045 0.396850 0.217610 O\n0.021413 0.718368 0.602794 O\n0.045046 0.103150 0.217610 O\n0.454954 0.103150 0.717610 O\n0.218637 0.965040 0.467258 O\n0.281363 0.965040 0.967258 O\n0.545045 0.896850 0.282390 O\n0.978587 0.281633 0.397205 O\n0.718637 0.034960 0.032741 O\n0.781363 0.534960 0.967258 O\n0.045046 0.603151 0.282390 O\n0.478587 0.718368 0.102795 O\n0.281363 0.465040 0.532741 O\n0.781363 0.034960 0.532741 O\n",
"nsites": 60,
"nelements": 4,
"elements": [
"Mg",
"H",
"C",
"O"
],
"chemical_system": "C-H-Mg-O",
"density": 1.8680550140660135,
"density_atomic": 0.11221976452968714,
"volume": 534.6651746371052,
"volume_molar": 5.366381568557716,
"formula_full": "Mg4 H24 C8 O24",
"formula_reduced": "MgH6(CO3)2",
"formula_anonymous": "AB2C6D6",
"energy_above_hull": 3.320054003333333,
"spacegroup": 61
},
{
"id": "jvasp-112193",
"created_at": "2022-09-04T14:38:45.423499Z",
"updated_at": "2022-09-04T14:38:45.423526Z",
"structure_string": "H36 C24\n1.0\n7.272993 0.013657 2.108200\n1.063728 7.254429 2.819860\n0.007841 0.008439 8.099359\nH C\n36 24\ndirect\n0.482321 0.417797 0.140903 H\n0.499775 0.362070 0.518438 H\n0.500225 0.637930 0.481562 H\n0.454899 0.221621 0.747397 H\n0.545101 0.778380 0.252603 H\n0.144046 0.858088 0.620091 H\n0.855954 0.141912 0.379909 H\n0.307378 0.663944 0.698515 H\n0.692622 0.336056 0.301485 H\n0.019008 0.870094 0.932315 H\n0.162544 0.657726 0.010429 H\n0.837455 0.342274 0.989571 H\n0.261796 0.033059 0.930169 H\n0.738204 0.966942 0.069831 H\n0.414093 0.822386 0.980691 H\n0.585907 0.177614 0.019308 H\n0.863020 0.612536 0.210422 H\n0.136980 0.387465 0.789578 H\n0.980991 0.129907 0.067685 H\n0.172588 0.511954 0.554571 H\n0.827412 0.488046 0.445429 H\n0.517679 0.582204 0.859097 H\n0.285493 0.457118 0.308317 H\n0.714507 0.542882 0.691683 H\n0.707941 0.689976 -0.007872 H\n0.092552 0.357375 0.171582 H\n0.907448 0.642626 0.828418 H\n0.292059 0.310024 0.007871 H\n0.658181 0.009129 0.788781 H\n0.150455 0.044149 0.377254 H\n0.849545 0.955852 0.622746 H\n0.057439 0.267768 0.506958 H\n0.942561 0.732233 0.493042 H\n0.046255 0.134370 0.736856 H\n0.341818 0.990872 0.211219 H\n0.953744 0.865631 0.263144 H\n0.803804 0.625124 0.346277 C\n0.400217 0.278276 0.623573 C\n0.599783 0.721725 0.376427 C\n0.385491 0.927792 0.688677 C\n0.758174 0.200226 0.289587 C\n0.241826 0.799774 0.710413 C\n0.160638 0.795510 0.909575 C\n0.196196 0.374877 0.653723 C\n0.839362 0.204491 0.090425 C\n0.614509 0.072209 0.311323 C\n0.867548 0.779620 0.382895 C\n0.638605 0.642116 0.762986 C\n0.659080 0.870573 0.431785 C\n0.340920 0.129428 0.568215 C\n0.724712 0.906369 0.719823 C\n0.275288 0.093632 0.280177 C\n0.761268 0.706470 0.847249 C\n0.238732 0.293531 0.152751 C\n0.361394 0.357884 0.237014 C\n0.592221 0.846095 0.637119 C\n0.407778 0.153906 0.362881 C\n0.313139 0.904175 0.897082 C\n0.132451 0.220381 0.617105 C\n0.686861 0.095825 0.102918 C\n",
"nsites": 60,
"nelements": 2,
"elements": [
"H",
"C"
],
"chemical_system": "C-H",
"density": 1.2622686459849939,
"density_atomic": 0.14053425088949503,
"volume": 426.94218398886426,
"volume_molar": 4.285176547271265,
"formula_full": "H36 C24",
"formula_reduced": "H3C2",
"formula_anonymous": "A2B3",
"energy_above_hull": 4.213684,
"spacegroup": 2
},
{
"id": "jvasp-112234",
"created_at": "2022-09-04T14:38:46.442920Z",
"updated_at": "2022-09-04T14:38:46.442944Z",
"structure_string": "H32 C20 O8\n1.0\n5.188925 0.000000 -2.118330\n0.000000 14.620964 0.000000\n-0.002281 0.000000 6.246791\nH C O\n32 20 8\ndirect\n0.899783 0.502052 0.752293 H\n0.412318 0.023422 0.461877 H\n0.587683 0.523422 0.538123 H\n0.860846 0.515515 0.457548 H\n0.639477 0.207824 0.896238 H\n0.360524 0.707824 0.103762 H\n0.002342 0.308403 0.126669 H\n-0.002342 0.808403 0.873331 H\n0.433057 0.167759 0.206941 H\n0.566944 0.667759 0.793059 H\n0.108288 0.159186 0.004342 H\n0.891713 0.659186 0.995658 H\n0.205050 0.357890 0.520315 H\n0.794951 0.857890 0.479685 H\n0.181205 0.201507 0.694268 H\n0.818796 0.701507 0.305732 H\n0.139155 0.015515 0.542452 H\n0.174028 0.645072 0.580897 H\n0.825973 0.145072 0.419103 H\n0.100218 0.002052 0.247707 H\n0.295423 0.794384 0.520818 H\n0.704578 0.294384 0.479183 H\n0.313275 0.853801 0.278371 H\n0.686726 0.353802 0.721629 H\n0.496553 0.047745 0.980271 H\n0.585683 0.963546 0.200340 H\n0.414318 0.463546 0.799661 H\n0.306203 0.945406 0.945758 H\n0.693798 0.445406 0.054242 H\n0.243354 0.580199 0.255341 H\n0.756647 0.080199 0.744659 H\n0.503448 0.547745 0.019729 H\n0.331319 0.427687 0.093715 C\n0.668682 0.927687 0.906285 C\n0.793134 0.539340 0.592100 C\n0.498476 0.474146 0.987806 C\n0.398134 0.798471 0.402092 C\n0.601867 0.298471 0.597908 C\n0.501525 0.974146 0.012194 C\n0.585221 0.205264 0.707950 C\n0.206867 0.039341 0.407900 C\n0.414780 0.705263 0.292050 C\n0.796891 0.785987 0.790315 C\n0.845447 0.641390 0.633937 C\n0.203110 0.285987 0.209685 C\n0.231565 0.183545 0.176689 C\n0.768436 0.683545 0.823311 C\n0.302461 0.300921 0.473183 C\n0.697540 0.800921 0.526817 C\n0.284280 0.204544 0.576337 C\n0.715721 0.704544 0.423664 C\n0.154554 0.141391 0.366064 C\n0.737618 0.137221 0.653505 O\n0.262383 0.637221 0.346495 O\n0.183606 0.467820 0.167353 O\n0.122069 0.656503 0.713848 O\n0.354072 0.336385 0.098431 O\n0.645929 0.836385 0.901569 O\n0.816395 0.967820 0.832647 O\n0.877932 0.156503 0.286152 O\n",
"nsites": 60,
"nelements": 3,
"elements": [
"H",
"C",
"O"
],
"chemical_system": "C-H-O",
"density": 1.403350535302032,
"density_atomic": 0.12662096453084135,
"volume": 473.8551804775241,
"volume_molar": 4.7560376611514235,
"formula_full": "H32 C20 O8",
"formula_reduced": "H8C5O2",
"formula_anonymous": "A2B5C8",
"energy_above_hull": 4.580653799999999,
"spacegroup": 4
},
{
"id": "jvasp-98298",
"created_at": "2022-09-04T14:38:11.981443Z",
"updated_at": "2022-09-04T14:38:11.981470Z",
"structure_string": "K8 Fe8 As8 O36\n1.0\n5.749918 0.000000 0.000000\n0.000000 8.416593 0.000000\n0.000000 0.000000 18.147980\nK Fe As O\n8 8 8 36\ndirect\n0.750000 0.957226 0.263063 K\n0.250000 0.102493 0.129235 K\n0.750000 0.457226 0.236937 K\n0.750000 0.897506 0.870765 K\n0.250000 0.542773 0.763063 K\n0.250000 0.042774 0.736937 K\n0.250000 0.602493 0.370765 K\n0.750000 0.397506 0.629235 K\n0.500000 0.500000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.500000 0.000000 0.500000 Fe\n0.750000 0.286778 0.429169 Fe\n0.750000 0.786778 0.070831 Fe\n0.250000 0.213222 0.929169 Fe\n0.250000 0.713222 0.570831 Fe\n0.000000 0.500000 0.000000 Fe\n0.750000 0.682144 0.442701 As\n0.250000 0.317856 0.557299 As\n0.250000 0.177627 0.347701 As\n0.750000 0.322372 0.847701 As\n0.750000 0.822372 0.652299 As\n0.250000 0.677627 0.152299 As\n0.250000 0.817856 0.942701 As\n0.750000 0.182144 0.057299 As\n0.993892 0.698695 0.642622 O\n-0.001792 0.273970 0.020075 O\n0.750000 0.686834 0.349736 O\n0.750000 0.492302 0.477149 O\n0.493891 0.801305 0.142622 O\n0.250000 0.578523 0.232546 O\n0.501792 0.773970 0.479925 O\n0.750000 0.921477 0.732546 O\n0.501792 0.273970 0.020075 O\n0.250000 0.507697 0.522851 O\n0.506109 0.198695 0.857378 O\n0.250000 0.313165 0.650264 O\n0.750000 0.547167 0.062112 O\n0.006109 0.801305 0.142622 O\n0.750000 0.992302 0.022851 O\n0.498208 0.226029 0.520075 O\n0.750000 0.047167 0.437888 O\n0.250000 0.007698 0.977149 O\n0.493891 0.301305 0.357378 O\n0.750000 0.464958 0.917753 O\n0.006109 0.301305 0.357378 O\n0.498208 0.726029 0.979925 O\n0.001792 0.726029 0.979925 O\n0.750000 0.421477 0.767454 O\n0.750000 0.186834 0.150264 O\n-0.001792 0.773970 0.479925 O\n0.250000 0.452833 0.937888 O\n0.250000 0.952833 0.562112 O\n0.250000 0.535042 0.082247 O\n0.250000 0.813165 0.849736 O\n0.506109 0.698695 0.642622 O\n0.250000 0.078523 0.267454 O\n0.001792 0.226029 0.520075 O\n0.250000 0.035042 0.417753 O\n0.750000 0.964957 0.582247 O\n0.993892 0.198695 0.857378 O\n",
"nsites": 60,
"nelements": 4,
"elements": [
"K",
"Fe",
"As",
"O"
],
"chemical_system": "As-Fe-K-O",
"density": 3.658312606419128,
"density_atomic": 0.06831640124278991,
"volume": 878.2664032135677,
"volume_molar": 8.815073174885036,
"formula_full": "K8 Fe8 As8 O36",
"formula_reduced": "K2Fe2As2O9",
"formula_anonymous": "A2B2C2D9",
"energy_above_hull": 2.4929354666666668,
"spacegroup": 62
},
{
"id": "jvasp-97861",
"created_at": "2022-09-04T14:38:17.803099Z",
"updated_at": "2022-09-04T14:38:17.803127Z",
"structure_string": "Sb4 S28 I4 F24\n1.0\n8.829914 0.000000 0.000000\n0.000000 11.580440 0.000000\n0.000000 0.000000 12.542172\nSb S I F\n4 28 4 24\ndirect\n0.065558 0.591281 0.358617 Sb\n0.565558 0.408719 0.141383 Sb\n0.434442 0.091281 0.641383 Sb\n0.934441 0.908719 0.858617 Sb\n0.903064 0.132278 0.536710 S\n0.968639 0.249780 0.281665 S\n0.443330 0.058021 0.997226 S\n0.846126 0.919091 0.363611 S\n0.346126 0.080909 0.136389 S\n0.521720 0.035299 0.253894 S\n0.031361 0.250220 0.781665 S\n0.445349 0.892950 0.326946 S\n0.556669 0.441979 0.497226 S\n0.943330 0.941979 0.502774 S\n0.056670 0.558021 0.002774 S\n0.554651 0.607050 0.826946 S\n0.153874 0.580909 0.863611 S\n0.478279 0.464701 0.753894 S\n0.781009 0.191016 0.423810 S\n0.653874 0.419091 0.636389 S\n0.218991 0.308984 0.923810 S\n0.054651 0.392950 0.673054 S\n0.021720 0.964701 0.246106 S\n0.596936 0.632278 0.463290 S\n0.978279 0.535299 0.746106 S\n0.096936 0.367722 0.036710 S\n0.281009 0.808984 0.076190 S\n0.718991 0.691016 0.576190 S\n0.468639 0.750220 0.218335 S\n0.403064 0.867722 0.963290 S\n0.945349 0.107050 0.173054 S\n0.531361 0.749780 0.718335 S\n0.692240 0.780786 0.117894 I\n0.807759 0.280786 0.882106 I\n0.307759 0.719214 0.617894 I\n0.192240 0.219214 0.382106 I\n0.126239 0.851631 0.812263 F\n0.467561 0.534269 0.068234 F\n0.967560 0.465731 0.431766 F\n0.626239 0.148369 0.687736 F\n0.448027 0.182124 0.510901 F\n0.032439 0.034269 0.931766 F\n0.416013 0.001521 0.769000 F\n0.373761 0.351631 0.187736 F\n0.661714 0.277605 0.209137 F\n0.551973 0.317876 0.010901 F\n0.083987 0.501521 0.231000 F\n0.583987 0.498479 0.269000 F\n0.739620 0.961855 0.905049 F\n0.760380 0.461855 0.094951 F\n0.532439 0.965731 0.568234 F\n0.239620 0.038145 0.594951 F\n0.873760 0.648369 0.312264 F\n0.838286 0.777605 0.790863 F\n0.051973 0.682124 0.489099 F\n0.161714 0.722395 0.290863 F\n0.338286 0.222395 0.709137 F\n0.260380 0.538145 0.405049 F\n0.948027 0.817876 0.989099 F\n0.916013 -0.001521 0.731000 F\n",
"nsites": 60,
"nelements": 4,
"elements": [
"Sb",
"S",
"I",
"F"
],
"chemical_system": "F-I-S-Sb",
"density": 3.040704365641981,
"density_atomic": 0.04678395827411979,
"volume": 1282.4908839146074,
"volume_molar": 12.872234377250974,
"formula_full": "Sb4 S28 I4 F24",
"formula_reduced": "SbS7IF6",
"formula_anonymous": "ABC6D7",
"energy_above_hull": 1.0564976046666668,
"spacegroup": 19
}
]
}