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=171",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=169",
"results": [
{
"id": "jvasp-119418",
"created_at": "2022-09-04T14:38:32.943273Z",
"updated_at": "2022-09-04T14:38:32.943308Z",
"structure_string": "Rb8 I4 O4\n1.0\n5.632991 -0.000000 0.000000\n0.000000 7.964819 0.000000\n0.000000 -0.000000 11.787385\nRb I O\n8 4 4\ndirect\n0.250000 0.646714 0.939782 Rb\n0.250000 0.146714 0.560219 Rb\n0.750000 0.353286 0.060219 Rb\n0.750000 0.853286 0.439782 Rb\n0.250000 0.586268 0.283516 Rb\n0.250000 0.086268 0.216484 Rb\n0.750000 0.413733 0.716484 Rb\n0.750000 0.913733 0.783517 Rb\n0.250000 0.675783 0.614868 I\n0.250000 0.175783 0.885132 I\n0.750000 0.324217 0.385132 I\n0.750000 0.824217 0.114868 I\n0.250000 0.888988 0.394269 O\n0.250000 0.388987 0.105731 O\n0.750000 0.111013 0.605732 O\n0.750000 0.611013 0.894269 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Rb",
"I",
"O"
],
"chemical_system": "I-O-Rb",
"density": 3.9417058645158107,
"density_atomic": 0.030254330417821412,
"volume": 528.8499126913464,
"volume_molar": 19.905053844631244,
"formula_full": "Rb8 I4 O4",
"formula_reduced": "Rb2IO",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.2067966875,
"spacegroup": 62
},
{
"id": "jvasp-24557",
"created_at": "2022-09-04T14:37:15.560320Z",
"updated_at": "2022-09-04T14:37:15.560340Z",
"structure_string": "Zr2 I8 O24\n1.0\n8.414298 0.000000 0.000000\n-0.000000 8.414298 0.000000\n-0.000000 0.000000 7.469266\nZr I O\n2 8 24\ndirect\n0.500000 -0.000000 0.057828 Zr\n0.000000 0.500000 0.942172 Zr\n0.252351 0.218297 0.727850 I\n0.281703 0.752351 0.727850 I\n0.781703 0.252351 0.272150 I\n0.752351 0.718297 0.272150 I\n0.247649 0.281703 0.272150 I\n0.218297 0.747649 0.272150 I\n0.747649 0.781703 0.727850 I\n0.718297 0.247649 0.727850 I\n0.751619 0.097597 0.553533 O\n0.251619 0.597597 0.446467 O\n0.097597 0.248381 0.446467 O\n0.902404 0.751619 0.446467 O\n0.571829 0.208038 0.219528 O\n0.428172 0.791963 0.219528 O\n0.291962 0.071828 0.219528 O\n0.708038 0.928172 0.219528 O\n0.597597 0.748381 0.553533 O\n0.748381 0.402404 0.446467 O\n0.402404 0.251619 0.553533 O\n0.088126 0.294153 0.096673 O\n0.791963 0.571829 0.780472 O\n0.928172 0.291962 0.780472 O\n0.205847 0.588126 0.096673 O\n0.071828 0.708038 0.780472 O\n0.911874 0.705847 0.096673 O\n0.794153 0.411874 0.096673 O\n0.294153 0.911874 0.903327 O\n0.411874 0.205847 0.903327 O\n0.588126 0.794153 0.903327 O\n0.705847 0.088126 0.903327 O\n0.248381 0.902404 0.553533 O\n0.208038 0.428172 0.780472 O\n",
"nsites": 34,
"nelements": 3,
"elements": [
"Zr",
"I",
"O"
],
"chemical_system": "I-O-Zr",
"density": 4.966507494934145,
"density_atomic": 0.06429322534479816,
"volume": 528.8271014194946,
"volume_molar": 9.366680124855861,
"formula_full": "Zr2 I8 O24",
"formula_reduced": "Zr(IO3)4",
"formula_anonymous": "AB4C12",
"energy_above_hull": 2.2991889176470584,
"spacegroup": 85
},
{
"id": "jvasp-11202",
"created_at": "2022-09-04T14:36:39.626009Z",
"updated_at": "2022-09-04T14:36:39.626039Z",
"structure_string": "K10 Cu2 As4\n1.0\n2.850241 -4.936762 -0.000000\n2.850241 4.936762 0.000000\n-0.000000 -0.000000 18.790565\nK Cu As\n10 2 4\ndirect\n0.333333 0.666667 0.549919 K\n0.666667 0.333333 0.049919 K\n0.666667 0.333333 0.450081 K\n0.333333 0.666667 0.950081 K\n0.000000 0.000000 0.146414 K\n0.000000 0.000000 0.646414 K\n0.000000 0.000000 0.853586 K\n0.000000 0.000000 0.353586 K\n0.333333 0.666667 0.750000 K\n0.666667 0.333333 0.250000 K\n0.333333 0.666667 0.250000 Cu\n0.666667 0.333333 0.750000 Cu\n0.333333 0.666667 0.374544 As\n0.666667 0.333333 0.874544 As\n0.666667 0.333333 0.625456 As\n0.333333 0.666667 0.125456 As\n",
"nsites": 16,
"nelements": 3,
"elements": [
"K",
"Cu",
"As"
],
"chemical_system": "As-Cu-K",
"density": 2.5679235883018476,
"density_atomic": 0.030257035492303117,
"volume": 528.8026318397958,
"volume_molar": 19.903274269985676,
"formula_full": "K10 Cu2 As4",
"formula_reduced": "K5CuAs2",
"formula_anonymous": "AB2C5",
"energy_above_hull": 2.5000000000025e-06,
"spacegroup": 194
},
{
"id": "jvasp-62314",
"created_at": "2022-09-04T14:36:16.474926Z",
"updated_at": "2022-09-04T14:36:16.474954Z",
"structure_string": "K10 Cu2 As4\n1.0\n2.849733 -4.936913 -0.000000\n2.849733 4.936913 0.000000\n0.000000 -0.000000 18.791587\nK Cu As\n10 2 4\ndirect\n0.333355 0.666644 0.549905 K\n0.666644 0.333355 0.049905 K\n0.666644 0.333355 0.450095 K\n0.333355 0.666644 0.950095 K\n0.999984 0.000015 0.146461 K\n0.000015 0.999984 0.646461 K\n0.000015 0.999984 0.853539 K\n0.999984 0.000015 0.353539 K\n0.333275 0.666724 0.750000 K\n0.666724 0.333275 0.250000 K\n0.333388 0.666610 0.250000 Cu\n0.666610 0.333388 0.750000 Cu\n0.333305 0.666694 0.374544 As\n0.666694 0.333305 0.874544 As\n0.666694 0.333305 0.625456 As\n0.333305 0.666694 0.125456 As\n",
"nsites": 16,
"nelements": 3,
"elements": [
"K",
"Cu",
"As"
],
"chemical_system": "As-Cu-K",
"density": 2.568163116192599,
"density_atomic": 0.03025985777405826,
"volume": 528.7533113826061,
"volume_molar": 19.901417927888524,
"formula_full": "K10 Cu2 As4",
"formula_reduced": "K5CuAs2",
"formula_anonymous": "AB2C5",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-97394",
"created_at": "2022-09-04T14:36:03.062846Z",
"updated_at": "2022-09-04T14:36:03.062871Z",
"structure_string": "Cd8 Ge2 S12\n1.0\n6.882603 0.000000 2.072268\n3.146543 6.166499 2.015114\n0.002107 0.009160 12.458696\nCd Ge S\n8 2 12\ndirect\n0.286702 -0.000118 0.640081 Cd\n0.764728 0.242642 0.452932 Cd\n0.539698 0.742642 0.952932 Cd\n0.918433 0.679379 0.644085 Cd\n0.758103 0.179379 0.144085 Cd\n0.668458 0.258925 0.801259 Cd\n0.271358 0.758925 0.301258 Cd\n0.073335 0.499882 0.140081 Cd\n0.672489 0.802985 0.390355 Ge\n0.134171 0.302985 0.890355 Ge\n0.912636 0.043355 0.638259 S\n0.699533 0.835824 0.203649 S\n0.428288 0.133233 0.973901 S\n0.475189 0.128480 0.441167 S\n0.955164 0.628481 0.941167 S\n0.963557 0.098687 0.939839 S\n-0.002082 0.598687 0.439838 S\n0.011006 0.170210 0.258676 S\n0.560108 0.670210 0.758677 S\n0.260994 0.335824 0.703650 S\n0.464579 0.633233 0.473900 S\n0.405750 0.543355 0.138259 S\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Cd",
"Ge",
"S"
],
"chemical_system": "Cd-Ge-S",
"density": 4.489526204846787,
"density_atomic": 0.041613679295319436,
"volume": 528.6723109454656,
"volume_molar": 14.471541238309467,
"formula_full": "Cd8 Ge2 S12",
"formula_reduced": "Cd4GeS6",
"formula_anonymous": "AB4C6",
"energy_above_hull": 0.4478822681818181,
"spacegroup": 9
},
{
"id": "jvasp-41061",
"created_at": "2022-09-04T14:38:36.723331Z",
"updated_at": "2022-09-04T14:38:36.723349Z",
"structure_string": "Yb8 Al4 Ge12\n1.0\n4.166518 0.000000 0.000000\n0.000000 6.929623 0.000000\n0.000000 0.000000 18.309896\nYb Al Ge\n8 4 12\ndirect\n0.750000 0.661112 0.919644 Yb\n0.250000 0.838888 0.419643 Yb\n0.750000 0.161112 0.580357 Yb\n0.250000 0.338888 0.080357 Yb\n0.750000 0.696971 0.700232 Yb\n0.250000 0.803028 0.200231 Yb\n0.750000 0.196971 0.799769 Yb\n0.250000 0.303028 0.299769 Yb\n0.750000 0.461446 0.439884 Al\n0.250000 0.038554 0.939884 Al\n0.750000 0.961446 0.060116 Al\n0.250000 0.538554 0.560116 Al\n0.750000 0.123085 0.187509 Ge\n0.750000 0.744978 0.534833 Ge\n0.250000 0.755022 0.034833 Ge\n0.750000 0.244978 0.965167 Ge\n0.250000 0.255022 0.465167 Ge\n0.750000 0.985834 0.313943 Ge\n0.250000 0.514165 0.813943 Ge\n0.750000 0.485834 0.186057 Ge\n0.250000 0.014166 0.686057 Ge\n0.750000 0.623084 0.312491 Ge\n0.250000 0.876915 0.812491 Ge\n0.250000 0.376915 0.687509 Ge\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Yb",
"Al",
"Ge"
],
"chemical_system": "Al-Ge-Yb",
"density": 7.425304283243508,
"density_atomic": 0.04539860351736844,
"volume": 528.6506222778012,
"volume_molar": 13.26503525091046,
"formula_full": "Yb8 Al4 Ge12",
"formula_reduced": "Yb2AlGe3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.3609620083333332,
"spacegroup": 62
},
{
"id": "jvasp-10876",
"created_at": "2022-09-04T14:36:32.176366Z",
"updated_at": "2022-09-04T14:36:32.176392Z",
"structure_string": "Ba4 Na8\n1.0\n3.615046 -6.261444 0.000000\n3.615046 6.261444 0.000000\n0.000000 0.000000 11.676010\nBa Na\n4 8\ndirect\n0.666667 0.333334 0.560628 Ba\n0.333334 0.666667 0.060628 Ba\n0.333334 0.666667 0.439372 Ba\n0.666667 0.333334 0.939372 Ba\n0.830693 0.661385 0.250000 Na\n0.661385 0.830693 0.750000 Na\n0.169308 0.830693 0.750000 Na\n0.830693 0.169308 0.250000 Na\n0.000000 0.000000 0.000000 Na\n0.000000 0.000000 0.500000 Na\n0.169308 0.338616 0.750000 Na\n0.338616 0.169308 0.250000 Na\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Ba",
"Na"
],
"chemical_system": "Ba-Na",
"density": 2.3034259900261587,
"density_atomic": 0.02270222708247772,
"volume": 528.5825023423349,
"volume_molar": 26.52665193648809,
"formula_full": "Ba4 Na8",
"formula_reduced": "BaNa2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-88480",
"created_at": "2022-09-04T14:35:55.886373Z",
"updated_at": "2022-09-04T14:35:55.886400Z",
"structure_string": "K8 Sr2 Si6 O18\n1.0\n7.191958 -0.000039 0.000000\n-2.758847 6.641763 -0.000000\n0.000000 0.000000 11.064901\nK Sr Si O\n8 2 6 18\ndirect\n0.658296 0.234428 0.750000 K\n0.054465 0.945534 0.000000 K\n0.499938 0.500061 0.000000 K\n0.765572 0.341704 0.250000 K\n0.781755 0.773180 0.750000 K\n0.499938 0.500061 0.500000 K\n0.226819 0.218244 0.250000 K\n0.054465 0.945534 0.500000 K\n0.275815 0.744436 0.750000 Sr\n0.255563 0.724185 0.250000 Sr\n0.590105 0.019875 0.469341 Si\n0.189043 0.259512 0.750000 Si\n0.740488 0.810956 0.250000 Si\n0.980125 0.409895 0.969341 Si\n0.590105 0.019875 0.030659 Si\n0.980125 0.409895 0.530659 Si\n0.738004 0.261996 0.500000 O\n0.973958 0.602364 0.897148 O\n0.114054 0.446965 0.408800 O\n0.548105 0.597593 0.250000 O\n0.201987 0.041248 0.750000 O\n0.958752 0.798013 0.250000 O\n0.397636 0.026041 0.102852 O\n0.402406 0.451895 0.750000 O\n0.052326 0.269551 0.871366 O\n0.553034 0.885946 0.591200 O\n0.738004 0.261996 0.000000 O\n0.730448 0.947674 0.371366 O\n0.730448 0.947674 0.128634 O\n0.114054 0.446965 0.091200 O\n0.973958 0.602364 0.602852 O\n0.397636 0.026041 0.397148 O\n0.553034 0.885946 0.908800 O\n0.052326 0.269551 0.628634 O\n",
"nsites": 34,
"nelements": 4,
"elements": [
"K",
"Sr",
"Si",
"O"
],
"chemical_system": "K-O-Si-Sr",
"density": 2.967475478611411,
"density_atomic": 0.06432826611788642,
"volume": 528.5390397075591,
"volume_molar": 9.361577924335736,
"formula_full": "K8 Sr2 Si6 O18",
"formula_reduced": "K4Sr(SiO3)3",
"formula_anonymous": "AB3C4D9",
"energy_above_hull": 1.8156738594117643,
"spacegroup": 40
},
{
"id": "jvasp-22967",
"created_at": "2022-09-04T14:37:33.009801Z",
"updated_at": "2022-09-04T14:37:33.009821Z",
"structure_string": "Pr8 Si4 Te4 O16\n1.0\n6.401977 0.000000 0.000000\n-0.000000 7.286612 0.000000\n0.000000 0.000000 11.329547\nPr Si Te O\n8 4 4 16\ndirect\n0.388774 0.750000 0.500000 Pr\n0.388774 0.750000 0.000000 Pr\n0.611227 0.250000 0.500000 Pr\n0.611227 0.250000 0.000000 Pr\n0.886548 0.538648 0.750000 Pr\n0.886548 0.961351 0.250000 Pr\n0.113452 0.038649 0.750000 Pr\n0.113452 0.461351 0.250000 Pr\n0.112797 0.250000 0.000000 Si\n0.887204 0.750000 0.000000 Si\n0.887204 0.750000 0.500000 Si\n0.112797 0.250000 0.500000 Si\n0.401152 0.426569 0.750000 Te\n0.401152 0.073431 0.250000 Te\n0.598848 0.926568 0.750000 Te\n0.598848 0.573431 0.250000 Te\n0.952051 0.230261 0.114832 O\n0.952051 0.269739 0.885168 O\n0.952051 0.269739 0.614832 O\n0.952051 0.230261 0.385168 O\n0.047949 0.730261 0.385168 O\n0.047949 0.730261 0.114832 O\n0.267411 0.422243 0.464194 O\n0.267411 0.077757 0.535806 O\n0.732589 0.577756 0.964194 O\n0.732589 0.577756 0.535806 O\n0.732589 0.922243 0.464194 O\n0.267411 0.077757 0.964194 O\n0.267411 0.422243 0.035806 O\n0.047949 0.769739 0.614832 O\n0.732589 0.922243 0.035806 O\n0.047949 0.769739 0.885168 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Pr",
"Si",
"Te",
"O"
],
"chemical_system": "O-Pr-Si-Te",
"density": 6.3026957209014425,
"density_atomic": 0.06054770393976905,
"volume": 528.5088932824372,
"volume_molar": 9.946109213308297,
"formula_full": "Pr8 Si4 Te4 O16",
"formula_reduced": "Pr2SiTeO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 2.102797508333333,
"spacegroup": 57
},
{
"id": "jvasp-5602",
"created_at": "2022-09-04T14:37:39.782888Z",
"updated_at": "2022-09-04T14:37:39.782915Z",
"structure_string": "Nb6 Te2 Cl14\n1.0\n3.471672 -6.013112 0.000000\n3.471672 6.013112 0.000000\n0.000000 0.000000 12.655695\nNb Te Cl\n6 2 14\ndirect\n0.053345 0.526673 0.759599 Nb\n0.473327 0.526673 0.759599 Nb\n0.946655 0.473327 0.240401 Nb\n0.526673 0.473327 0.240401 Nb\n0.526673 0.053345 0.240401 Nb\n0.473327 0.946655 0.759599 Nb\n0.333333 0.666667 0.589298 Te\n0.666667 0.333333 0.410702 Te\n0.167324 0.832676 0.885189 Cl\n0.665351 0.832676 0.885189 Cl\n0.333333 0.666667 0.131335 Cl\n0.666667 0.333333 0.868665 Cl\n0.832676 0.167324 0.114811 Cl\n0.334648 0.167324 0.114811 Cl\n0.165312 0.330625 0.342459 Cl\n0.834687 0.165312 0.657540 Cl\n0.834687 0.669375 0.657540 Cl\n0.167324 0.334648 0.885189 Cl\n0.165312 0.834687 0.342459 Cl\n0.669375 0.834687 0.342459 Cl\n0.330625 0.165312 0.657540 Cl\n0.832676 0.665351 0.114811 Cl\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Nb",
"Te",
"Cl"
],
"chemical_system": "Cl-Nb-Te",
"density": 4.113658410915396,
"density_atomic": 0.04163597177707919,
"volume": 528.3892523942748,
"volume_molar": 14.4637929726795,
"formula_full": "Nb6 Te2 Cl14",
"formula_reduced": "Nb3TeCl7",
"formula_anonymous": "AB3C7",
"energy_above_hull": 1.8753367671969696,
"spacegroup": 164
},
{
"id": "jvasp-57708",
"created_at": "2022-09-04T14:38:31.547415Z",
"updated_at": "2022-09-04T14:38:31.547431Z",
"structure_string": "Na12 Co2 Se8\n1.0\n4.626511 -8.013352 -0.000000\n4.626511 8.013352 0.000000\n-0.000000 -0.000000 7.126032\nNa Co Se\n12 2 8\ndirect\n0.294984 0.147492 0.466727 Na\n0.943536 0.471768 0.141369 Na\n0.471768 0.943536 0.641369 Na\n0.528232 0.056464 0.141369 Na\n0.528232 0.471768 0.141369 Na\n0.056464 0.528232 0.641369 Na\n0.471768 0.528232 0.641369 Na\n0.852508 0.147492 0.466727 Na\n0.852508 0.705016 0.466727 Na\n0.147492 0.294984 0.966727 Na\n0.147492 0.852508 0.966727 Na\n0.705016 0.852508 0.966727 Na\n0.666667 0.333333 0.756405 Co\n0.333333 0.666667 0.256405 Co\n0.811311 0.188689 0.865305 Se\n0.666667 0.333333 0.414690 Se\n0.333333 0.666667 0.914690 Se\n0.377377 0.188689 0.865305 Se\n0.188689 0.811311 0.365306 Se\n0.188689 0.377377 0.365306 Se\n0.811311 0.622623 0.865305 Se\n0.622623 0.811311 0.365306 Se\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Na",
"Co",
"Se"
],
"chemical_system": "Co-Na-Se",
"density": 3.2226031827847343,
"density_atomic": 0.0416367763353322,
"volume": 528.3790421913909,
"volume_molar": 14.463513485047885,
"formula_full": "Na12 Co2 Se8",
"formula_reduced": "Na6CoSe4",
"formula_anonymous": "AB4C6",
"energy_above_hull": 0.4220053060606061,
"spacegroup": 186
},
{
"id": "jvasp-11197",
"created_at": "2022-09-04T14:37:13.243461Z",
"updated_at": "2022-09-04T14:37:13.243488Z",
"structure_string": "Ba4 Si2 Te8\n1.0\n0.000000 7.586619 0.006723\n7.629289 0.000000 0.000000\n0.000000 -3.077000 -9.130588\nBa Si Te\n4 2 8\ndirect\n0.724881 0.750000 0.926702 Ba\n0.275119 0.250000 0.073299 Ba\n0.777321 0.750000 0.447892 Ba\n0.222680 0.250000 0.552109 Ba\n0.210156 0.750000 0.293896 Si\n0.789844 0.250000 0.706105 Si\n0.990911 0.008430 0.231954 Te\n0.009089 0.508430 0.768047 Te\n0.622314 0.250000 0.431255 Te\n0.377686 0.750000 0.568745 Te\n0.595207 0.250000 0.877853 Te\n0.404793 0.750000 0.122148 Te\n0.990911 0.491570 0.231954 Te\n0.009089 0.991570 0.768047 Te\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ba",
"Si",
"Te"
],
"chemical_system": "Ba-Si-Te",
"density": 5.1114342648152675,
"density_atomic": 0.026498827872941267,
"volume": 528.3252552576415,
"volume_molar": 22.726064673031768,
"formula_full": "Ba4 Si2 Te8",
"formula_reduced": "Ba2SiTe4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.8676573723809522,
"spacegroup": 11
}
]
}