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=-volume&page=573",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=571",
"results": [
{
"id": "jvasp-42647",
"created_at": "2022-09-04T14:35:46.780880Z",
"updated_at": "2022-09-04T14:35:46.780903Z",
"structure_string": "Li4 V4 F20\n1.0\n0.000000 5.211461 -0.117201\n10.097070 0.000000 0.000000\n0.000000 -1.744013 -6.040381\nLi V F\n4 4 20\ndirect\n0.028665 0.735532 0.886269 Li\n0.028665 0.764468 0.386269 Li\n0.971335 0.235532 0.613731 Li\n0.971335 0.264468 0.113731 Li\n0.439301 0.959999 0.738733 V\n0.560700 0.459999 0.761266 V\n0.439300 0.540001 0.238733 V\n0.560700 0.040001 0.261266 V\n0.363962 0.919453 0.031392 F\n0.636038 0.419453 0.468608 F\n0.733005 0.850522 0.807604 F\n0.733005 0.649478 0.307604 F\n0.837704 0.578522 0.812087 F\n0.622052 0.415946 0.085753 F\n0.622052 0.084054 0.585753 F\n0.794673 0.316451 0.814708 F\n0.377948 0.915946 0.414247 F\n0.205328 0.683549 0.185292 F\n0.363962 0.580547 0.531392 F\n0.266995 0.149478 0.192395 F\n0.794672 0.183549 0.314708 F\n0.162296 0.421478 0.187912 F\n0.377948 0.584054 0.914247 F\n0.266996 0.350522 0.692395 F\n0.205328 0.816451 0.685292 F\n0.162297 0.078522 0.687912 F\n0.636039 0.080547 0.968608 F\n0.837704 0.921478 0.312087 F\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Li",
"V",
"F"
],
"chemical_system": "F-Li-V",
"density": 3.1740528730342885,
"density_atomic": 0.08752417068251156,
"volume": 319.91162877244784,
"volume_molar": 6.880545925816239,
"formula_full": "Li4 V4 F20",
"formula_reduced": "LiVF5",
"formula_anonymous": "ABC5",
"energy_above_hull": 0.2800122303571427,
"spacegroup": 14
},
{
"id": "jvasp-20199",
"created_at": "2022-09-04T14:37:49.945224Z",
"updated_at": "2022-09-04T14:37:49.945258Z",
"structure_string": "Nd8 C12\n1.0\n7.035394 0.000000 -2.487387\n-3.517697 6.092830 -2.487387\n-0.000000 -0.000000 7.462162\nNd C\n8 12\ndirect\n0.103979 0.103979 0.103979 Nd\n-0.000000 0.896021 0.499999 Nd\n0.500000 0.000000 0.896021 Nd\n-0.000000 0.396021 0.500000 Nd\n0.500000 0.000000 0.396021 Nd\n0.396021 0.500000 -0.000000 Nd\n0.603978 0.603979 0.603978 Nd\n0.896020 0.500000 -0.000001 Nd\n0.798278 0.048279 0.749999 C\n0.048279 0.750000 0.798278 C\n0.749999 0.798279 0.048278 C\n0.701720 0.451721 0.249999 C\n0.250000 0.701721 0.451720 C\n0.951720 0.201721 0.749999 C\n0.201721 0.750000 0.951720 C\n0.548278 0.298279 0.249999 C\n0.298279 0.250000 0.548278 C\n0.749999 0.951721 0.201720 C\n0.250000 0.548279 0.298278 C\n0.451721 0.250000 0.701720 C\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Nd",
"C"
],
"chemical_system": "C-Nd",
"density": 6.738654326315823,
"density_atomic": 0.06252559564853767,
"volume": 319.8690039263585,
"volume_molar": 9.631480832027618,
"formula_full": "Nd8 C12",
"formula_reduced": "Nd2C3",
"formula_anonymous": "A2B3",
"energy_above_hull": 4.4916226,
"spacegroup": 220
},
{
"id": "jvasp-101898",
"created_at": "2022-09-04T14:36:40.909110Z",
"updated_at": "2022-09-04T14:36:40.909130Z",
"structure_string": "Al1 H18 C10 Cl1 O5\n1.0\n5.260287 0.030841 0.083650\n-0.851831 6.693770 -1.910712\n0.189562 -0.137384 9.119222\nAl H C Cl O\n1 18 10 1 5\ndirect\n0.537848 0.627014 0.924673 Al\n0.023419 0.865153 0.466068 H\n0.825902 0.732767 0.308070 H\n0.269871 0.465644 0.712634 H\n0.439759 0.869191 0.454111 H\n0.671105 0.054692 0.420545 H\n0.854806 0.086944 0.693534 H\n0.560457 0.948292 0.721288 H\n0.674988 0.244210 0.267163 H\n0.129091 0.668056 0.826932 H\n0.147638 0.509230 0.434033 H\n0.938195 0.340341 0.504577 H\n0.807799 0.666521 0.626976 H\n0.572783 0.549498 0.485417 H\n0.957490 0.226052 0.973114 H\n0.197301 0.058032 0.954312 H\n0.255989 0.255091 0.206980 H\n0.052995 0.050247 0.236412 H\n0.856402 0.430042 0.200419 H\n0.018323 0.103767 0.012113 C\n0.059632 0.178744 0.188621 C\n0.776788 0.611574 0.501919 C\n0.945370 0.443408 0.432701 C\n0.869455 0.324571 0.268338 C\n0.635593 0.942729 0.484426 C\n0.828279 0.788822 0.434000 C\n0.524382 0.237630 0.708718 C\n0.817130 0.930477 0.973788 C\n0.653039 0.049033 0.656655 C\n0.370568 0.601668 0.135616 Cl\n0.324986 0.256033 0.644268 O\n0.878499 0.745782 0.920899 O\n0.578869 0.937687 -0.006485 O\n0.631821 0.378797 0.823940 O\n0.294787 0.616628 0.782592 O\n",
"nsites": 35,
"nelements": 5,
"elements": [
"Al",
"H",
"C",
"Cl",
"O"
],
"chemical_system": "Al-C-Cl-H-O",
"density": 1.4571931228522434,
"density_atomic": 0.10942645629295136,
"volume": 319.8495243810112,
"volume_molar": 5.503368165261432,
"formula_full": "Al1 H18 C10 Cl1 O5",
"formula_reduced": "AlH18C10ClO5",
"formula_anonymous": "ABC5D10E18",
"energy_above_hull": 4.434309553357142,
"spacegroup": 1
},
{
"id": "jvasp-35183",
"created_at": "2022-09-04T14:37:56.101395Z",
"updated_at": "2022-09-04T14:37:56.101414Z",
"structure_string": "Rb8 N1 O3\n1.0\n6.838776 0.000000 -0.000000\n0.000000 6.838776 0.000000\n-0.000000 0.000000 6.838776\nRb N O\n8 1 3\ndirect\n0.253262 0.253262 0.253262 Rb\n0.746739 0.746739 0.253262 Rb\n0.746739 0.253262 0.746739 Rb\n0.253262 0.746739 0.746739 Rb\n0.253262 0.253262 0.746739 Rb\n0.746739 0.746739 0.746739 Rb\n0.746739 0.253262 0.253262 Rb\n0.253262 0.746739 0.253262 Rb\n0.000000 0.000000 0.000000 N\n0.000000 0.500000 0.500000 O\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Rb",
"N",
"O"
],
"chemical_system": "N-O-Rb",
"density": 3.8717352311084814,
"density_atomic": 0.037518555503040715,
"volume": 319.8417380175378,
"volume_molar": 16.051099727205468,
"formula_full": "Rb8 N1 O3",
"formula_reduced": "Rb8NO3",
"formula_anonymous": "AB3C8",
"energy_above_hull": 0.4398836458333332,
"spacegroup": 221
},
{
"id": "jvasp-20792",
"created_at": "2022-09-04T14:38:33.307412Z",
"updated_at": "2022-09-04T14:38:33.307429Z",
"structure_string": "Pr6 F18\n1.0\n3.555241 -6.157857 0.000000\n3.555241 6.157857 -0.000000\n0.000000 0.000000 7.304762\nPr F\n6 18\ndirect\n0.343471 -0.000000 0.750000 Pr\n0.656529 0.656529 0.750000 Pr\n-0.000000 0.343471 0.750000 Pr\n0.656529 -0.000000 0.250000 Pr\n0.343471 0.343471 0.250000 Pr\n-0.000000 0.656529 0.250000 Pr\n0.940092 0.629690 0.581296 F\n0.629690 0.940092 0.918704 F\n0.310402 0.370310 0.918704 F\n0.059908 0.689598 0.918704 F\n0.629690 0.689598 0.418704 F\n0.310402 0.940092 0.418704 F\n0.059908 0.370310 0.418704 F\n0.370310 0.059908 0.081296 F\n0.333333 0.666667 0.179750 F\n0.940092 0.310402 0.081296 F\n0.689598 0.059908 0.581296 F\n0.666667 0.333333 0.320250 F\n0.666667 0.333333 0.820250 F\n0.333333 0.666667 0.679750 F\n0.000000 0.000000 0.250000 F\n0.000000 0.000000 0.750000 F\n0.689598 0.629690 0.081296 F\n0.370310 0.310402 0.581296 F\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Pr",
"F"
],
"chemical_system": "F-Pr",
"density": 6.164781752943587,
"density_atomic": 0.07503718452330135,
"volume": 319.8414246545626,
"volume_molar": 8.025542000619629,
"formula_full": "Pr6 F18",
"formula_reduced": "PrF3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 165
},
{
"id": "jvasp-22961",
"created_at": "2022-09-04T14:38:04.477945Z",
"updated_at": "2022-09-04T14:38:04.477967Z",
"structure_string": "Zr10 Ge6\n1.0\n4.049861 -7.014565 -0.000000\n4.049861 7.014565 -0.000000\n-0.000000 -0.000000 5.629287\nZr Ge\n10 6\ndirect\n0.253342 -0.000000 0.250000 Zr\n0.746658 -0.000000 0.750000 Zr\n0.253342 0.253342 0.750000 Zr\n-0.000000 0.253342 0.250000 Zr\n0.746658 0.746658 0.250000 Zr\n-0.000000 0.746658 0.750000 Zr\n0.333333 0.666667 0.500000 Zr\n0.666667 0.333333 0.000000 Zr\n0.666667 0.333333 0.500000 Zr\n0.333333 0.666667 0.000000 Zr\n-0.000000 0.612965 0.250000 Ge\n0.612965 0.612965 0.750000 Ge\n0.387035 -0.000000 0.750000 Ge\n0.612965 -0.000000 0.250000 Ge\n0.387035 0.387035 0.250000 Ge\n-0.000000 0.387035 0.750000 Ge\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Zr",
"Ge"
],
"chemical_system": "Ge-Zr",
"density": 6.9990728659196755,
"density_atomic": 0.05002599489956777,
"volume": 319.8337190918764,
"volume_molar": 12.038022976034869,
"formula_full": "Zr10 Ge6",
"formula_reduced": "Zr5Ge3",
"formula_anonymous": "A3B5",
"energy_above_hull": 3.39078629375,
"spacegroup": 193
},
{
"id": "jvasp-29983",
"created_at": "2022-09-04T14:38:06.015619Z",
"updated_at": "2022-09-04T14:38:06.015643Z",
"structure_string": "Ta5 O5 F15\n1.0\n4.599780 -0.762708 -1.725342\n-8.452787 21.027370 -9.577150\n-0.333163 -0.542680 4.056252\nTa O F\n5 5 15\ndirect\n0.709651 0.961533 0.013853 Ta\n0.834612 0.140227 0.849944 Ta\n0.793443 0.343746 0.866094 Ta\n0.755881 0.551795 0.916480 Ta\n0.726025 0.758783 0.965587 Ta\n0.343597 0.244146 0.381898 O\n0.296802 0.455217 0.432280 O\n0.273106 0.661111 0.484939 O\n0.236682 0.870396 0.541162 O\n0.650548 0.039566 0.250113 O\n0.746599 0.963454 0.550406 F\n0.785105 0.558041 0.461702 F\n0.755514 0.764663 0.511789 F\n0.819279 0.350806 0.415731 F\n0.866306 0.166807 0.471872 F\n0.522585 0.812745 0.067059 F\n0.974775 0.919723 0.078595 F\n0.593335 0.398272 0.975988 F\n0.679508 0.204102 0.996807 F\n0.310975 0.062013 0.563134 F\n0.106707 0.112033 0.116506 F\n0.034189 0.513923 -0.003447 F\n0.100283 0.314065 -0.000088 F\n0.570970 0.609670 0.031299 F\n0.013517 0.723158 0.060289 F\n",
"nsites": 25,
"nelements": 3,
"elements": [
"Ta",
"O",
"F"
],
"chemical_system": "F-O-Ta",
"density": 6.59219958278116,
"density_atomic": 0.07816563876681903,
"volume": 319.8336301527467,
"volume_molar": 7.704332562246484,
"formula_full": "Ta5 O5 F15",
"formula_reduced": "TaOF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.2118867094999997,
"spacegroup": 1
},
{
"id": "jvasp-105595",
"created_at": "2022-09-04T14:36:22.761073Z",
"updated_at": "2022-09-04T14:36:22.761084Z",
"structure_string": "K2 Sc1 In1 Cl6\n1.0\n6.647699 0.000000 3.838051\n2.215900 6.267511 3.838051\n0.000000 0.000000 7.676103\nK Sc In Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 In\n0.771585 0.228415 0.228415 Cl\n0.228415 0.228415 0.771584 Cl\n0.228415 0.771584 0.771584 Cl\n0.228415 0.771584 0.228415 Cl\n0.771585 0.228415 0.771584 Cl\n0.771585 0.771584 0.228415 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Sc",
"In",
"Cl"
],
"chemical_system": "Cl-In-K-Sc",
"density": 2.3400133776797136,
"density_atomic": 0.031267470925773526,
"volume": 319.82119768302334,
"volume_molar": 19.26008270478952,
"formula_full": "K2 Sc1 In1 Cl6",
"formula_reduced": "K2ScInCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-122118",
"created_at": "2022-09-04T14:38:55.220071Z",
"updated_at": "2022-09-04T14:38:55.220108Z",
"structure_string": "K2 Tb2 Mo4 O16\n1.0\n6.508429 -0.006568 3.527189\n-1.619311 6.303770 3.527189\n-0.031206 -0.040193 7.751475\nTb K Mo O\n2 2 4 16\ndirect\n0.770275 0.229725 0.750001 Tb\n0.229725 0.770275 0.250000 Tb\n0.195729 0.804271 0.750001 K\n0.804271 0.195729 0.250000 K\n0.692837 0.699080 0.758028 Mo\n0.307162 0.300920 0.241973 Mo\n0.300920 0.307163 0.741974 Mo\n0.699080 0.692837 0.258027 Mo\n0.198296 0.049861 0.309062 O\n0.801703 0.950139 0.690939 O\n0.365523 0.581545 0.472928 O\n0.634477 0.418456 0.527073 O\n0.418456 0.634477 0.027073 O\n0.581544 0.365523 0.972928 O\n0.073993 0.390318 0.374436 O\n0.774997 0.607680 0.062199 O\n0.609682 0.926007 0.125565 O\n0.390318 0.073993 0.874436 O\n0.049861 0.198297 0.809062 O\n0.225003 0.392320 0.937802 O\n0.392320 0.225003 0.437802 O\n0.607680 0.774997 0.562199 O\n0.926007 0.609682 0.625565 O\n0.950139 0.801703 0.190939 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Tb",
"K",
"Mo",
"O"
],
"chemical_system": "K-Mo-O-Tb",
"density": 5.378490027223103,
"density_atomic": 0.07504945963418239,
"volume": 319.78911130052757,
"volume_molar": 8.024229340696182,
"formula_full": "K2 Tb2 Mo4 O16",
"formula_reduced": "KTb(MoO4)2",
"formula_anonymous": "ABC2D8",
"energy_above_hull": null,
"spacegroup": 15
},
{
"id": "jvasp-28625",
"created_at": "2022-09-04T14:38:06.542236Z",
"updated_at": "2022-09-04T14:38:06.542257Z",
"structure_string": "Mo2 W2 Se4 S4\n1.0\n3.258900 0.000000 0.000000\n-1.629450 2.822280 0.000044\n0.000000 0.000560 34.764197\nMo W Se S\n2 2 4 4\ndirect\n0.333362 0.666722 0.094965 Mo\n0.666638 0.333278 0.656492 Mo\n0.333341 0.666681 0.471796 W\n0.666659 0.333319 0.279662 W\n0.333309 0.666618 0.328804 Se\n0.666692 0.333382 0.422654 Se\n0.666654 0.333308 0.520927 Se\n0.333346 0.666692 0.230530 Se\n0.333306 0.666614 0.700910 S\n0.666694 0.333386 0.050548 S\n0.666693 0.333387 0.139438 S\n0.333307 0.666613 0.612020 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-W",
"density": 5.212335703483656,
"density_atomic": 0.037529943573241596,
"volume": 319.74468537586233,
"volume_molar": 16.04622918829464,
"formula_full": "Mo2 W2 Se4 S4",
"formula_reduced": "MoW(SeS)2",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 3.676125438888889,
"spacegroup": 164
},
{
"id": "jvasp-34342",
"created_at": "2022-09-04T14:37:16.411322Z",
"updated_at": "2022-09-04T14:37:16.411348Z",
"structure_string": "Si8 O16\n1.0\n4.726833 0.000000 0.000000\n0.000000 6.901720 0.000000\n0.000000 0.000000 9.800308\nSi O\n8 16\ndirect\n0.771535 0.924572 0.896613 Si\n0.771535 0.575428 0.396613 Si\n0.771535 0.424572 0.103387 Si\n0.771535 0.075428 0.603387 Si\n0.228464 0.424572 0.603387 Si\n0.228464 0.575428 0.896613 Si\n0.228464 0.924572 0.396613 Si\n0.228464 0.075428 0.103387 Si\n0.651105 0.000000 0.750000 O\n0.500000 0.000000 0.500000 O\n0.651105 0.500000 0.250000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n0.000000 0.250000 0.665724 O\n0.348895 0.500000 0.750000 O\n0.000000 0.250000 0.165724 O\n0.000000 0.750000 0.834277 O\n0.500000 0.500000 0.000000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.348895 0.000000 0.250000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.750000 0.334277 O\n0.000000 0.000000 0.000000 O\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Si",
"O"
],
"chemical_system": "O-Si",
"density": 2.496506899189324,
"density_atomic": 0.07506611191488348,
"volume": 319.7181709266266,
"volume_molar": 8.022449286874522,
"formula_full": "Si8 O16",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.603401866666667,
"spacegroup": 54
},
{
"id": "jvasp-99323",
"created_at": "2022-09-04T14:36:40.665574Z",
"updated_at": "2022-09-04T14:36:40.665599Z",
"structure_string": "Sr4 Tb4 O12\n1.0\n6.031965 -0.000000 0.000000\n-0.000000 6.212314 0.000000\n0.000000 0.000000 8.529501\nTb Sr O\n4 4 12\ndirect\n0.500000 0.000000 0.500000 Tb\n0.000000 0.500000 0.000000 Tb\n0.500000 0.000000 0.000000 Tb\n0.000000 0.500000 0.500000 Tb\n0.017596 0.948533 0.750000 Sr\n0.517596 0.551466 0.250000 Sr\n0.482405 0.448534 0.750000 Sr\n0.982405 0.051466 0.250000 Sr\n0.883177 0.551882 0.750000 O\n0.383177 0.948117 0.250000 O\n0.204514 0.207315 0.562635 O\n0.204514 0.207315 0.937365 O\n0.704514 0.292685 0.062635 O\n0.295486 0.707315 0.562635 O\n0.795487 0.792684 0.437365 O\n0.795487 0.792684 0.062635 O\n0.295486 0.707315 0.937365 O\n0.704514 0.292685 0.437365 O\n0.116824 0.448118 0.250000 O\n0.616824 0.051882 0.750000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Tb",
"Sr",
"O"
],
"chemical_system": "O-Sr-Tb",
"density": 6.121005494944441,
"density_atomic": 0.06257403480067288,
"volume": 319.6213903052474,
"volume_molar": 9.624025011625497,
"formula_full": "Sr4 Tb4 O12",
"formula_reduced": "SrTbO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.127217042,
"spacegroup": 62
}
]
}