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=-formula_anonymous&page=890",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_anonymous&page=888",
"results": [
{
"id": "jvasp-90291",
"created_at": "2022-09-04T14:36:07.492822Z",
"updated_at": "2022-09-04T14:36:07.492832Z",
"structure_string": "Ba1 Dy2 Co1 O5\n1.0\n3.557024 -0.000133 -1.011396\n-0.706899 5.183215 -2.485794\n-0.007139 -0.007165 6.734361\nBa Dy Co O\n1 2 1 5\ndirect\n0.999998 0.000001 -0.000000 Ba\n0.796820 0.296828 0.593653 Dy\n0.203179 0.703173 0.406347 Dy\n0.500002 0.500000 -0.000000 Co\n0.650334 0.408962 0.300655 O\n0.349666 0.108290 0.699361 O\n0.349665 0.591038 0.699346 O\n0.650334 0.891710 0.300639 O\n-0.000002 0.500000 0.000000 O\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Ba",
"Dy",
"Co",
"O"
],
"chemical_system": "Ba-Co-Dy-O",
"density": 8.048218874924057,
"density_atomic": 0.07254924617400674,
"volume": 124.05366664201895,
"volume_molar": 8.300762692359497,
"formula_full": "Ba1 Dy2 Co1 O5",
"formula_reduced": "BaDy2CoO5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 2.024510818888889,
"spacegroup": 71
},
{
"id": "jvasp-119665",
"created_at": "2022-09-04T14:38:52.161963Z",
"updated_at": "2022-09-04T14:38:52.161990Z",
"structure_string": "Ba4 Ca1 Cu2 C1 O9\n1.0\n5.802183 0.005524 0.000000\n-0.180280 5.799384 0.000000\n-0.000000 -0.000000 8.233765\nBa Ca Cu C O\n4 1 2 1 9\ndirect\n0.506918 0.987822 0.766246 Ba\n0.012177 0.493081 0.766246 Ba\n0.506918 0.987822 0.233754 Ba\n0.012177 0.493081 0.233754 Ba\n0.005551 -0.005551 0.000000 Ca\n0.508565 0.491434 -0.000000 Cu\n0.992702 0.007297 0.500000 Cu\n0.484494 0.515505 0.500000 C\n0.560196 0.439803 0.638147 O\n0.281748 0.264657 -0.000000 O\n0.735342 0.718251 -0.000000 O\n0.996865 0.003134 0.719383 O\n0.731984 0.268015 -0.000000 O\n0.996865 0.003134 0.280618 O\n0.560196 0.439803 0.361853 O\n0.283049 0.716950 -0.000000 O\n0.327349 0.672650 0.500000 O\n",
"nsites": 17,
"nelements": 5,
"elements": [
"Ba",
"Ca",
"Cu",
"C",
"O"
],
"chemical_system": "Ba-C-Ca-Cu-O",
"density": 5.2290357551470015,
"density_atomic": 0.06135702760690742,
"volume": 277.06687665694847,
"volume_molar": 9.814916065657071,
"formula_full": "Ba4 Ca1 Cu2 C1 O9",
"formula_reduced": "Ba4CaCu2CO9",
"formula_anonymous": "ABC2D4E9",
"energy_above_hull": 1.740800394117647,
"spacegroup": 38
},
{
"id": "jvasp-88338",
"created_at": "2022-09-04T14:35:42.196510Z",
"updated_at": "2022-09-04T14:35:42.196536Z",
"structure_string": "P4 H32 C8 N4 O16\n1.0\n-5.287343 5.287343 5.063998\n5.287343 -5.287343 5.063998\n5.287343 5.287343 -5.063998\nP H C N O\n4 32 8 4 16\ndirect\n0.946682 0.311270 0.745488 P\n0.565782 0.201194 0.254511 P\n0.798806 0.053318 0.364588 P\n0.688730 0.434218 0.635411 P\n0.760981 0.642234 0.159701 H\n0.482533 0.601281 0.840299 H\n0.486117 0.502861 0.304267 H\n0.198594 0.181849 0.695733 H\n0.818151 0.513883 0.016745 H\n0.497139 0.801405 0.983255 H\n0.130791 0.035702 0.879276 H\n0.398718 0.239019 0.881252 H\n0.964298 0.843575 0.095089 H\n0.089716 0.415632 0.170617 H\n0.245016 0.919098 0.829383 H\n0.080902 0.910284 0.325917 H\n0.584368 0.754984 0.674083 H\n0.156425 0.251514 0.120723 H\n0.357766 0.517467 0.118747 H\n0.748486 0.869209 0.904911 H\n0.251777 0.768370 0.265787 H\n0.548101 0.793941 0.394190 H\n0.399750 0.153910 0.605809 H\n0.846089 0.451899 0.245840 H\n0.206059 0.600249 0.754160 H\n0.316819 0.361038 0.446921 H\n0.502583 0.985989 0.734212 H\n0.130103 0.683181 0.044220 H\n0.914117 0.869897 0.553078 H\n0.086198 0.267119 0.348318 H\n0.918800 0.737880 0.651681 H\n0.262120 0.913802 0.180919 H\n0.732881 0.081200 0.819080 H\n0.231630 0.497417 0.483406 H\n0.014011 0.748223 0.516593 H\n0.638961 0.085883 0.955780 H\n0.612742 0.832384 0.810852 C\n0.021532 0.801889 0.189147 C\n0.198111 0.387258 0.219642 C\n0.167616 0.978468 0.780358 C\n0.873421 0.623790 0.152535 C\n0.279114 0.126579 0.750368 C\n0.376211 0.528745 0.249631 C\n0.471255 0.720885 0.847465 C\n0.210754 0.380046 0.385837 N\n0.994211 0.824917 0.614162 N\n0.175083 0.789246 0.169294 N\n0.619953 0.005789 0.830706 N\n0.336474 0.053450 0.628487 O\n0.424963 0.707988 0.371513 O\n0.827961 0.632686 0.757237 O\n0.875448 0.070722 0.242762 O\n0.367314 0.124552 0.195274 O\n0.929278 0.172039 0.804725 O\n0.495868 0.356723 0.602636 O\n0.755561 0.308755 0.696640 O\n0.643277 0.245914 0.139145 O\n0.106768 0.504131 0.860854 O\n0.612114 0.058921 0.303359 O\n0.691245 0.387886 0.446806 O\n0.941079 0.244439 0.553193 O\n0.946550 0.575037 0.283023 O\n0.754087 0.893232 0.397363 O\n0.292012 0.663525 0.716976 O\n",
"nsites": 64,
"nelements": 5,
"elements": [
"P",
"H",
"C",
"N",
"O"
],
"chemical_system": "C-H-N-O-P",
"density": 1.6546024486005346,
"density_atomic": 0.11301900707877015,
"volume": 566.2764313209221,
"volume_molar": 5.3284318413829155,
"formula_full": "P4 H32 C8 N4 O16",
"formula_reduced": "PH8C2NO4",
"formula_anonymous": "ABC2D4E8",
"energy_above_hull": 3.879463296875,
"spacegroup": 82
},
{
"id": "jvasp-112663",
"created_at": "2022-09-04T14:38:43.138097Z",
"updated_at": "2022-09-04T14:38:43.138114Z",
"structure_string": "Mn1 Cd1 Cu4 Sn2 Se8\n1.0\n6.467969 -0.009862 2.917236\n3.836337 5.207421 2.917236\n0.003775 0.001904 11.686806\nMn Cd Cu Sn Se\n1 1 4 2 8\ndirect\n0.998897 0.001104 0.000000 Mn\n0.001863 -0.001862 0.500000 Cd\n0.749532 0.747343 0.879134 Cu\n0.749502 0.753711 0.370814 Cu\n0.252657 0.250470 0.120867 Cu\n0.246289 0.250499 0.629187 Cu\n0.501155 0.500464 0.753605 Sn\n0.499536 0.498846 0.246395 Sn\n0.605861 0.111578 0.699927 Se\n0.622466 0.105963 0.185616 Se\n0.104179 0.627618 0.947004 Se\n0.113471 0.600234 0.443848 Se\n0.372382 0.895822 0.052996 Se\n0.399767 0.886530 0.556153 Se\n0.888422 0.394140 0.300074 Se\n0.894038 0.377534 0.814384 Se\n",
"nsites": 16,
"nelements": 5,
"elements": [
"Mn",
"Cd",
"Cu",
"Sn",
"Se"
],
"chemical_system": "Cd-Cu-Mn-Se-Sn",
"density": 5.439478894533026,
"density_atomic": 0.04060929039702039,
"volume": 393.9985122511267,
"volume_molar": 14.829465625042936,
"formula_full": "Mn1 Cd1 Cu4 Sn2 Se8",
"formula_reduced": "MnCdCu4(SnSe4)2",
"formula_anonymous": "ABC2D4E8",
"energy_above_hull": 0.9620161952945404,
"spacegroup": 5
},
{
"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-98876",
"created_at": "2022-09-04T14:35:45.597351Z",
"updated_at": "2022-09-04T14:35:45.597368Z",
"structure_string": "Ag2 Sb2 C12 N8 O4 F12\n1.0\n7.638114 -0.001538 0.117099\n1.113803 7.556469 0.117099\n0.133673 0.115391 10.402538\nAg Sb C N O F\n2 2 12 8 4 12\ndirect\n0.720662 0.279337 0.250000 Ag\n0.279336 0.720663 0.750000 Ag\n0.305708 0.694291 0.250000 Sb\n0.694290 0.305709 0.750000 Sb\n0.219433 0.054745 0.955198 C\n0.796477 0.626008 0.059669 C\n0.054745 0.219434 0.455198 C\n0.373991 0.203522 0.440331 C\n0.220583 0.183460 0.523366 C\n0.626007 0.796478 0.559669 C\n0.945254 0.780566 0.544802 C\n0.779416 0.816540 0.476635 C\n0.183459 0.220583 0.023365 C\n0.203521 0.373992 0.940331 C\n0.816539 0.779417 0.976635 C\n0.780565 0.945254 0.044802 C\n0.510168 0.778980 0.630698 N\n0.778980 0.510169 0.130697 N\n0.242397 0.923650 0.900130 N\n0.076350 0.757602 0.599870 N\n0.923649 0.242397 0.400130 N\n0.489830 0.221020 0.369303 N\n0.221019 0.489831 0.869303 N\n0.757602 0.076350 0.099870 N\n0.771161 0.861254 0.363605 O\n0.861253 0.771162 0.863605 O\n0.228838 0.138746 0.636396 O\n0.138746 0.228838 0.136396 O\n0.446342 0.837633 0.147309 F\n0.617501 0.503054 0.858680 F\n0.837632 0.446343 0.647309 F\n0.162366 0.553657 0.352691 F\n0.503053 0.617502 0.358680 F\n0.382497 0.496946 0.141320 F\n0.766600 0.106063 0.641681 F\n0.233399 0.893937 0.358319 F\n0.893936 0.233399 0.858319 F\n0.106063 0.766601 0.141681 F\n0.496945 0.382498 0.641320 F\n0.553656 0.162366 0.852691 F\n",
"nsites": 40,
"nelements": 6,
"elements": [
"Ag",
"Sb",
"C",
"N",
"O",
"F"
],
"chemical_system": "Ag-C-F-N-O-Sb",
"density": 2.7870863531520564,
"density_atomic": 0.06664262773853999,
"volume": 600.2164283937391,
"volume_molar": 9.036469545628895,
"formula_full": "Ag2 Sb2 C12 N8 O4 F12",
"formula_reduced": "AgSbC6N4(OF3)2",
"formula_anonymous": "ABC2D4E6F6",
"energy_above_hull": 3.89098175275,
"spacegroup": 15
},
{
"id": "jvasp-32676",
"created_at": "2022-09-04T14:36:35.589598Z",
"updated_at": "2022-09-04T14:36:35.589610Z",
"structure_string": "As4 Pb8 S12 I2 Cl2\n1.0\n6.723105 0.000000 0.000000\n0.000000 9.505021 0.000000\n0.000000 0.000000 11.668810\nAs Pb S I Cl\n4 8 12 2 2\ndirect\n0.500000 0.951416 0.172848 As\n0.000000 0.451416 0.827152 As\n0.500000 0.521620 0.671820 As\n0.000000 0.021620 0.328180 As\n0.500000 0.177987 0.874240 Pb\n0.000000 0.272787 0.570737 Pb\n0.500000 0.717167 0.915363 Pb\n0.000000 0.791781 0.624607 Pb\n0.500000 0.772787 0.429263 Pb\n0.000000 0.677987 0.125760 Pb\n0.500000 0.291782 0.375393 Pb\n0.000000 0.217168 0.084637 Pb\n0.248759 0.905830 0.046284 S\n0.000000 0.784669 0.349659 S\n0.751142 0.070396 0.455991 S\n0.500000 0.284669 0.650341 S\n0.500000 0.189353 0.151361 S\n0.251241 0.405830 0.953716 S\n0.248859 0.070396 0.455991 S\n0.000000 0.689353 0.848639 S\n0.748859 0.570396 0.544009 S\n0.251141 0.570396 0.544009 S\n0.748759 0.405830 0.953716 S\n0.751242 0.905830 0.046284 S\n0.000000 0.083049 0.794799 I\n0.500000 0.583049 0.205201 I\n0.500000 0.876027 0.709066 Cl\n0.000000 0.376027 0.290934 Cl\n",
"nsites": 28,
"nelements": 5,
"elements": [
"As",
"Pb",
"S",
"I",
"Cl"
],
"chemical_system": "As-Cl-I-Pb-S",
"density": 5.938639490929958,
"density_atomic": 0.0375498743586436,
"volume": 745.6749317605822,
"volume_molar": 16.037712143805788,
"formula_full": "As4 Pb8 S12 I2 Cl2",
"formula_reduced": "As2Pb4S6ICl",
"formula_anonymous": "ABC2D4E6",
"energy_above_hull": 1.442392651607143,
"spacegroup": 31
},
{
"id": "jvasp-26276",
"created_at": "2022-09-04T14:38:35.639584Z",
"updated_at": "2022-09-04T14:38:35.639611Z",
"structure_string": "Mn2 Ga2 H8 O4 F10\n1.0\n5.809553 -0.000000 2.984989\n1.858878 6.230777 3.528082\n-0.128750 -0.018526 7.396515\nMn Ga H O F\n2 2 8 4 10\ndirect\n0.000000 0.500000 0.500000 Mn\n0.500000 0.000000 0.000000 Mn\n0.500000 -0.000000 0.500001 Ga\n0.500000 0.500000 -0.000000 Ga\n0.290562 0.489130 0.697599 H\n0.977291 0.010869 0.802402 H\n0.290562 0.697599 0.489131 H\n0.977291 0.802402 0.010869 H\n0.709438 0.510870 0.302401 H\n0.022709 0.989131 0.197598 H\n0.022709 0.197598 0.989131 H\n0.709438 0.302401 0.510870 H\n0.873031 0.928802 0.928802 O\n0.230634 0.571198 0.571198 O\n0.126969 0.071198 0.071198 O\n0.769366 0.428802 0.428802 O\n0.577620 0.658878 0.089801 F\n0.433160 0.750000 0.750000 F\n0.173700 0.589801 0.158877 F\n0.422380 0.910199 0.341123 F\n0.173700 0.158877 0.589801 F\n0.422380 0.341122 0.910200 F\n0.826299 0.410199 0.841123 F\n0.577620 0.089801 0.658878 F\n0.826299 0.841123 0.410199 F\n0.566839 0.250000 0.250000 F\n",
"nsites": 26,
"nelements": 5,
"elements": [
"Mn",
"Ga",
"H",
"O",
"F"
],
"chemical_system": "F-Ga-H-Mn-O",
"density": 3.1402049336251565,
"density_atomic": 0.09615001100009452,
"volume": 270.4107854961602,
"volume_molar": 6.263276204923243,
"formula_full": "Mn2 Ga2 H8 O4 F10",
"formula_reduced": "MnGaH4O2F5",
"formula_anonymous": "ABC2D4E5",
"energy_above_hull": 1.572775998375331,
"spacegroup": 74
},
{
"id": "jvasp-34786",
"created_at": "2022-09-04T14:37:08.124027Z",
"updated_at": "2022-09-04T14:37:08.124055Z",
"structure_string": "Al2 Zn2 H8 O4 F10\n1.0\n5.658254 -0.000000 2.998557\n1.772758 5.996645 3.492639\n-0.170962 0.005293 7.160425\nAl Zn H O F\n2 2 8 4 10\ndirect\n0.500000 0.500000 0.000001 Al\n0.500000 -0.000000 0.500000 Al\n0.500000 -0.000000 0.000000 Zn\n0.000001 0.499999 0.500000 Zn\n0.285318 0.700923 0.482371 H\n0.031389 0.982370 0.200924 H\n0.968611 0.017628 0.799077 H\n0.968611 0.799076 0.017630 H\n0.714682 0.299076 0.517629 H\n0.285318 0.482370 0.700923 H\n0.031389 0.200923 0.982371 H\n0.714682 0.517628 0.299077 H\n0.862463 0.931072 0.931074 O\n0.775390 0.431073 0.431074 O\n0.224611 0.568926 0.568926 O\n0.137537 0.068926 0.068926 O\n0.819012 0.410667 0.845307 F\n0.180988 0.589331 0.154693 F\n0.180988 0.154692 0.589332 F\n0.574987 0.089331 0.654693 F\n0.574987 0.654692 0.089332 F\n0.425013 0.910667 0.345307 F\n0.557327 0.250000 0.250000 F\n0.442674 0.749999 0.750000 F\n0.425013 0.345306 0.910668 F\n0.819012 0.845306 0.410669 F\n",
"nsites": 26,
"nelements": 5,
"elements": [
"Al",
"Zn",
"H",
"O",
"F"
],
"chemical_system": "Al-F-H-O-Zn",
"density": 3.0167030143012945,
"density_atomic": 0.10571050535084327,
"volume": 245.95474133538985,
"volume_molar": 5.696823357350416,
"formula_full": "Al2 Zn2 H8 O4 F10",
"formula_reduced": "AlZnH4O2F5",
"formula_anonymous": "ABC2D4E5",
"energy_above_hull": 1.1996601240384617,
"spacegroup": 74
},
{
"id": "jvasp-97662",
"created_at": "2022-09-04T14:35:55.311094Z",
"updated_at": "2022-09-04T14:35:55.311121Z",
"structure_string": "Na4 Li4 H16 C8 O20\n1.0\n6.788233 -0.058049 -0.982119\n-0.640548 7.603407 -2.838634\n0.299767 0.023287 10.252358\nNa Li H C O\n4 4 16 8 20\ndirect\n0.407599 0.139553 0.645664 Na\n0.592401 0.860448 0.354337 Na\n0.902794 0.147780 0.649178 Na\n0.097206 0.852220 0.350823 Na\n0.214417 0.427975 0.856189 Li\n0.785582 0.572026 0.143812 Li\n0.676971 0.872255 0.798725 Li\n0.323029 0.127746 0.201276 Li\n0.305860 0.793148 0.973219 H\n0.694139 0.206852 0.026782 H\n0.862298 0.036328 0.128793 H\n0.137702 0.963672 0.871208 H\n0.672658 0.418859 0.513868 H\n0.327341 0.581142 0.486133 H\n0.967009 0.614034 0.500152 H\n0.032990 0.385967 0.499848 H\n0.131636 0.534276 0.163176 H\n0.932573 0.569917 0.740503 H\n0.868363 0.465725 0.836825 H\n0.562987 0.442086 0.270685 H\n0.437013 0.557915 0.729316 H\n0.447997 0.526803 0.168889 H\n0.552003 0.473198 0.831111 H\n0.067427 0.430084 0.259497 H\n0.798450 0.897840 0.092811 C\n0.296370 0.756626 0.066863 C\n0.703630 0.243375 0.933138 C\n0.201550 0.102160 0.907190 C\n0.903598 0.733666 0.566180 C\n0.376808 0.716619 0.559843 C\n0.096402 0.266334 0.433821 C\n0.623192 0.283382 0.440157 C\n0.564703 0.546426 0.239693 O\n0.435296 0.453575 0.760308 O\n0.267167 0.593410 0.046055 O\n0.732833 0.406591 0.953945 O\n0.316187 0.878938 0.186124 O\n0.683812 0.121063 0.813876 O\n0.714856 0.827021 0.968779 O\n0.285144 0.172980 0.031222 O\n0.817791 0.823424 0.184373 O\n0.182209 0.176577 0.815628 O\n0.436666 0.735485 0.686446 O\n0.631038 0.161101 0.489570 O\n0.368962 0.838900 0.510431 O\n0.874442 0.741406 0.688054 O\n0.125558 0.258595 0.311947 O\n0.867655 0.849042 0.512219 O\n0.132345 0.150959 0.487781 O\n0.960435 0.466536 0.769115 O\n0.563333 0.264516 0.313555 O\n0.039565 0.533465 0.230886 O\n",
"nsites": 52,
"nelements": 5,
"elements": [
"Na",
"Li",
"H",
"C",
"O"
],
"chemical_system": "C-H-Li-Na-O",
"density": 1.7242435335112647,
"density_atomic": 0.09783039234062818,
"volume": 531.5321625098381,
"volume_molar": 6.155695194425845,
"formula_full": "Na4 Li4 H16 C8 O20",
"formula_reduced": "NaLiH4C2O5",
"formula_anonymous": "ABC2D4E5",
"energy_above_hull": 3.1503305000000004,
"spacegroup": 2
},
{
"id": "jvasp-98320",
"created_at": "2022-09-04T14:35:45.483574Z",
"updated_at": "2022-09-04T14:35:45.483590Z",
"structure_string": "Li4 H20 S4 N8 O16\n1.0\n9.974600 0.000000 0.000000\n0.000000 8.871640 0.000000\n0.000000 0.000000 5.096617\nLi H S N O\n4 20 4 8 16\ndirect\n0.671125 0.563760 0.752038 Li\n0.328875 0.436240 0.252038 Li\n0.828875 0.063760 0.252038 Li\n0.171125 0.936240 0.752038 Li\n0.969230 0.209254 0.590528 H\n0.030770 0.790746 0.090528 H\n0.530770 0.709254 0.090528 H\n0.469230 0.290746 0.590528 H\n0.951834 0.233340 0.920375 H\n0.048166 0.766660 0.420374 H\n0.548166 0.733340 0.420374 H\n0.451834 0.266660 0.920375 H\n0.842091 0.313209 0.704435 H\n0.157909 0.686791 0.204435 H\n0.342091 0.186791 0.704435 H\n0.010874 0.468924 0.551616 H\n0.989126 0.531076 0.051615 H\n0.489126 0.968924 0.051615 H\n0.510874 0.031076 0.551616 H\n0.378939 0.885346 0.249974 H\n0.621061 0.114654 0.749975 H\n0.121061 0.385346 0.749975 H\n0.878939 0.614654 0.249974 H\n0.657909 0.813209 0.204435 H\n0.157045 0.131837 0.252967 S\n0.842955 0.868163 0.752967 S\n0.342955 0.631837 0.752967 S\n0.657045 0.368163 0.252967 S\n0.523152 0.080204 0.735594 N\n0.476848 0.919796 0.235593 N\n0.976848 0.580204 0.235593 N\n0.023152 0.419796 0.735594 N\n0.441667 0.215887 0.737232 N\n0.558333 0.784113 0.237232 N\n0.058333 0.715887 0.237232 N\n0.941667 0.284113 0.737232 N\n0.302578 0.493437 0.609800 O\n0.697422 0.506563 0.109800 O\n0.225087 0.265646 0.143611 O\n0.774913 0.734354 0.643612 O\n0.274913 0.765646 0.643612 O\n0.725087 0.234354 0.143611 O\n0.007788 0.152871 0.229885 O\n0.189366 0.114624 0.538550 O\n0.492212 0.652871 0.729885 O\n0.507788 0.347129 0.229885 O\n0.802578 0.006563 0.609800 O\n0.810634 0.885376 0.038549 O\n0.310634 0.614624 0.038549 O\n0.689367 0.385376 0.538550 O\n0.992212 0.847129 0.729885 O\n0.197422 0.993437 0.109800 O\n",
"nsites": 52,
"nelements": 5,
"elements": [
"Li",
"H",
"S",
"N",
"O"
],
"chemical_system": "H-Li-N-O-S",
"density": 2.0037688658352475,
"density_atomic": 0.11529804569827252,
"volume": 451.0050424972563,
"volume_molar": 5.223107402669729,
"formula_full": "Li4 H20 S4 N8 O16",
"formula_reduced": "LiH5S(NO2)2",
"formula_anonymous": "ABC2D4E5",
"energy_above_hull": 3.271314653846154,
"spacegroup": 33
},
{
"id": "jvasp-116795",
"created_at": "2022-09-04T14:38:44.830250Z",
"updated_at": "2022-09-04T14:38:44.830266Z",
"structure_string": "Mn2 V2 H8 O4 F10\n1.0\n5.839789 0.002587 -2.857501\n-1.918849 6.272081 3.469942\n0.008851 -0.016844 7.424268\nMn V H O F\n2 2 8 4 10\ndirect\n-0.000000 -0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n-0.000000 0.500000 0.000000 V\n0.000000 0.000000 0.500000 V\n0.477844 0.195446 0.989415 H\n0.792631 0.304040 0.510615 H\n0.522022 0.010609 0.804036 H\n0.207011 0.489413 0.695440 H\n0.522157 0.804555 0.010585 H\n0.207369 0.695961 0.489385 H\n0.477978 0.989392 0.195964 H\n0.792989 0.510588 0.304559 H\n0.267014 0.570332 0.570178 O\n0.626503 0.929809 0.929658 O\n0.373498 0.070192 0.070342 O\n0.732986 0.429669 0.429821 O\n0.079159 0.337633 0.910495 F\n0.930447 0.250030 0.249970 F\n0.069553 0.749971 0.750030 F\n0.079389 0.911131 0.337427 F\n0.331029 0.589499 0.162373 F\n0.920841 0.662368 0.089505 F\n0.669169 0.837426 0.411127 F\n0.920610 0.088870 0.662573 F\n0.668971 0.410502 0.837626 F\n0.330831 0.162575 0.588873 F\n",
"nsites": 26,
"nelements": 5,
"elements": [
"Mn",
"V",
"H",
"O",
"F"
],
"chemical_system": "F-H-Mn-O-V",
"density": 2.888525621827483,
"density_atomic": 0.09545562598141495,
"volume": 272.3778691165061,
"volume_molar": 6.308837952801755,
"formula_full": "Mn2 V2 H8 O4 F10",
"formula_reduced": "MnVH4O2F5",
"formula_anonymous": "ABC2D4E5",
"energy_above_hull": 2.0227338349137933,
"spacegroup": 74
}
]
}