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=spacegroup&page=1232",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=1230",
"results": [
{
"id": "jvasp-112718",
"created_at": "2022-09-04T14:38:41.923945Z",
"updated_at": "2022-09-04T14:38:41.923971Z",
"structure_string": "Ca2 Sn4 O10\n1.0\n3.976189 0.000202 0.000000\n-1.988195 5.453028 0.000000\n0.000000 -0.000000 10.817760\nCa Sn O\n2 4 10\ndirect\n0.807030 0.614035 0.750000 Ca\n0.192970 0.385966 0.250000 Ca\n0.131502 0.262970 0.563271 Sn\n0.868498 0.737031 0.436728 Sn\n0.868498 0.737031 0.063272 Sn\n0.131502 0.262970 0.936729 Sn\n0.801154 0.602353 0.250000 O\n0.198846 0.397648 0.750000 O\n0.305849 0.611716 0.053202 O\n0.694152 0.388285 0.946798 O\n0.694152 0.388285 0.553202 O\n0.305849 0.611716 0.446797 O\n-0.047809 -0.095441 0.609710 O\n0.047809 0.095440 0.390290 O\n-0.047809 -0.095441 0.890290 O\n0.047809 0.095440 0.109711 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ca",
"Sn",
"O"
],
"chemical_system": "Ca-O-Sn",
"density": 5.061729488338827,
"density_atomic": 0.06821342391553062,
"volume": 234.5579371563721,
"volume_molar": 8.828380712068169,
"formula_full": "Ca2 Sn4 O10",
"formula_reduced": "CaSn2O5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 1.554032395833333,
"spacegroup": 63
},
{
"id": "jvasp-111747",
"created_at": "2022-09-04T14:38:42.089391Z",
"updated_at": "2022-09-04T14:38:42.089415Z",
"structure_string": "Er6 Sb2 O14\n1.0\n6.401181 -0.016933 0.000000\n-2.112684 6.042513 0.000000\n0.000000 0.000000 7.442472\nEr Sb O\n6 2 14\ndirect\n0.999541 0.467985 0.749977 Er\n0.000460 0.532015 0.249977 Er\n0.532016 0.000460 0.750022 Er\n0.467985 0.999540 0.250022 Er\n0.500074 0.500073 0.500000 Er\n0.499927 0.499927 0.000000 Er\n0.999994 0.999994 0.500000 Sb\n0.000006 0.000006 0.000000 Sb\n0.074211 0.324966 0.469212 O\n0.925790 0.675034 0.969212 O\n0.630528 0.369472 0.250000 O\n0.369472 0.630528 0.750000 O\n0.674989 0.925706 0.469256 O\n0.325012 0.074294 0.969256 O\n0.926731 0.073269 0.750000 O\n0.925706 0.674988 0.530744 O\n0.073269 0.926731 0.250000 O\n0.324966 0.074211 0.530787 O\n0.362628 0.637372 0.250000 O\n0.637372 0.362628 0.750000 O\n0.074294 0.325012 0.030744 O\n0.675034 0.925789 0.030787 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Er",
"Sb",
"O"
],
"chemical_system": "Er-O-Sb",
"density": 8.493527320836915,
"density_atomic": 0.07649439807705084,
"volume": 287.6027598496816,
"volume_molar": 7.872655921723905,
"formula_full": "Er6 Sb2 O14",
"formula_reduced": "Er3SbO7",
"formula_anonymous": "AB3C7",
"energy_above_hull": 2.190436418181818,
"spacegroup": 63
},
{
"id": "jvasp-112605",
"created_at": "2022-09-04T14:38:42.098120Z",
"updated_at": "2022-09-04T14:38:42.098130Z",
"structure_string": "Ba2 Nd2 Cu2 Te6\n1.0\n7.797322 0.016029 0.000000\n-6.509598 4.292275 0.000000\n-0.000000 -0.000000 11.669624\nBa Nd Cu Te\n2 2 2 6\ndirect\n0.250987 0.749015 0.250000 Ba\n0.749014 0.250987 0.750000 Ba\n0.000000 0.000000 0.000000 Nd\n0.000000 0.000000 0.500000 Nd\n0.533351 0.466650 0.250000 Cu\n0.466650 0.533351 0.750000 Cu\n0.640943 0.359058 0.065599 Te\n0.359057 0.640944 0.934401 Te\n0.359057 0.640944 0.565598 Te\n0.640943 0.359058 0.434401 Te\n0.928126 0.071874 0.250000 Te\n0.071875 0.928127 0.750000 Te\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Ba",
"Nd",
"Cu",
"Te"
],
"chemical_system": "Ba-Cu-Nd-Te",
"density": 6.170466773505509,
"density_atomic": 0.030629471417235293,
"volume": 391.7795327426893,
"volume_molar": 19.661262442195866,
"formula_full": "Ba2 Nd2 Cu2 Te6",
"formula_reduced": "BaNdCuTe3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 0.46507187,
"spacegroup": 63
},
{
"id": "jvasp-112570",
"created_at": "2022-09-04T14:38:42.271592Z",
"updated_at": "2022-09-04T14:38:42.271619Z",
"structure_string": "Tm6 Fe4 Ge6\n1.0\n5.627823 0.003729 0.000000\n-4.128242 3.824921 0.000000\n-0.000000 0.000000 13.613871\nTm Fe Ge\n6 4 6\ndirect\n0.641193 0.358807 0.250000 Tm\n0.358807 0.641193 0.750000 Tm\n0.919434 0.080566 0.111215 Tm\n0.080566 0.919434 0.888785 Tm\n0.080566 0.919434 0.611215 Tm\n0.919434 0.080566 0.388785 Tm\n0.785004 0.214996 0.583828 Fe\n0.214996 0.785003 0.416172 Fe\n0.214996 0.785003 0.083828 Fe\n0.785004 0.214996 0.916172 Fe\n0.333942 0.666058 0.250000 Ge\n0.666058 0.333942 0.750000 Ge\n0.622187 0.377813 0.041618 Ge\n0.377813 0.622187 0.958382 Ge\n0.377813 0.622187 0.541618 Ge\n0.622187 0.377813 0.458382 Ge\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Tm",
"Fe",
"Ge"
],
"chemical_system": "Fe-Ge-Tm",
"density": 9.472065042664232,
"density_atomic": 0.054558821278929706,
"volume": 293.2614676222689,
"volume_molar": 11.037886484409288,
"formula_full": "Tm6 Fe4 Ge6",
"formula_reduced": "Tm3Fe2Ge3",
"formula_anonymous": "A2B3C3",
"energy_above_hull": 1.8560152,
"spacegroup": 63
},
{
"id": "jvasp-112578",
"created_at": "2022-09-04T14:38:42.343267Z",
"updated_at": "2022-09-04T14:38:42.343293Z",
"structure_string": "Nd4 Al18 Ir6\n1.0\n7.599487 -0.003808 0.000000\n-3.736980 6.617190 0.000000\n-0.000000 -0.000000 9.646376\nNd Al Ir\n4 18 6\ndirect\n0.995534 0.670547 0.250000 Nd\n0.004466 0.329453 0.750000 Nd\n0.670547 0.995534 0.250000 Nd\n0.329453 0.004466 0.750000 Nd\n0.454118 0.661041 0.750000 Al\n0.545882 0.338959 0.250000 Al\n0.661041 0.454118 0.750000 Al\n0.338959 0.545882 0.250000 Al\n0.334423 0.334423 0.949953 Al\n0.665577 0.665577 0.050047 Al\n0.665577 0.665577 0.449953 Al\n0.334423 0.334423 0.550047 Al\n0.335121 0.002612 0.072304 Al\n0.664879 0.997388 0.572304 Al\n0.002612 0.335121 0.427696 Al\n0.335121 0.002612 0.427696 Al\n0.997388 0.664879 0.572304 Al\n0.997388 0.664879 0.927696 Al\n0.002612 0.335121 0.072304 Al\n0.869088 0.869088 0.750000 Al\n0.130912 0.130912 0.250000 Al\n0.664879 0.997388 0.927696 Al\n0.000000 0.000000 0.000000 Ir\n0.670832 0.329168 -0.000000 Ir\n0.329168 0.670832 -0.000000 Ir\n0.329168 0.670832 0.500000 Ir\n0.670832 0.329168 0.500000 Ir\n0.000000 0.000000 0.500000 Ir\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Nd",
"Al",
"Ir"
],
"chemical_system": "Al-Ir-Nd",
"density": 7.587653511668075,
"density_atomic": 0.05773762019730773,
"volume": 484.95244355959136,
"volume_molar": 10.43018527507791,
"formula_full": "Nd4 Al18 Ir6",
"formula_reduced": "Nd2(Al3Ir)3",
"formula_anonymous": "A2B3C9",
"energy_above_hull": 2.792755821428571,
"spacegroup": 63
},
{
"id": "jvasp-116610",
"created_at": "2022-09-04T14:38:42.463899Z",
"updated_at": "2022-09-04T14:38:42.463925Z",
"structure_string": "Li4 Ce4 Si6\n1.0\n9.442999 -0.002492 0.000000\n-8.413666 4.287243 0.000000\n0.000000 0.000000 6.730950\nLi Ce Si\n4 4 6\ndirect\n0.811130 0.188870 0.561255 Li\n0.188869 0.811130 0.438745 Li\n0.188869 0.811130 0.061255 Li\n0.811130 0.188870 0.938745 Li\n0.550870 0.449129 0.250000 Ce\n0.449129 0.550870 0.750000 Ce\n0.343033 0.656967 0.250000 Ce\n0.656967 0.343033 0.750000 Ce\n0.940752 0.059249 0.072050 Si\n0.059248 0.940751 0.927950 Si\n0.059248 0.940751 0.572050 Si\n0.940752 0.059249 0.427950 Si\n0.719973 0.280027 0.250000 Si\n0.280026 0.719973 0.750000 Si\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Li",
"Ce",
"Si"
],
"chemical_system": "Ce-Li-Si",
"density": 4.613780540287011,
"density_atomic": 0.051403016623313265,
"volume": 272.35755641723284,
"volume_molar": 11.71553958424441,
"formula_full": "Li4 Ce4 Si6",
"formula_reduced": "Li2Ce2Si3",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 2.3836066857142857,
"spacegroup": 63
},
{
"id": "jvasp-112798",
"created_at": "2022-09-04T14:38:42.491641Z",
"updated_at": "2022-09-04T14:38:42.491669Z",
"structure_string": "Li4 Mn4 P4 O16\n1.0\n5.590657 -0.000001 -0.000030\n0.000001 6.298502 -0.000008\n-0.000019 0.000013 8.383821\nLi Mn P O\n4 4 4 16\ndirect\n0.000006 0.000001 0.500000 Li\n0.499995 -0.000001 0.000000 Li\n0.000006 0.499999 0.500000 Li\n0.499995 0.500000 0.000000 Li\n0.500013 0.249998 0.680231 Mn\n0.500002 0.750001 0.319769 Mn\n0.000005 0.249999 0.180229 Mn\n0.999984 0.750001 0.819770 Mn\n0.500003 0.250001 0.350896 P\n0.000003 0.250000 0.850893 P\n0.499997 0.749998 0.649104 P\n-0.000004 0.750000 0.149105 P\n0.499998 0.052869 0.240845 O\n0.999999 0.052868 0.740843 O\n0.499999 0.947129 0.759155 O\n1.000000 0.947131 0.259156 O\n0.500000 0.552866 0.759154 O\n1.000000 0.552867 0.259156 O\n0.222388 0.750000 0.035979 O\n0.777609 0.250000 0.964019 O\n0.222399 0.249999 0.964018 O\n0.722400 0.250000 0.464019 O\n0.777599 0.750000 0.035983 O\n0.277603 0.749999 0.535978 O\n1.000000 0.447133 0.740844 O\n0.277610 0.250000 0.464023 O\n0.722393 0.749999 0.535980 O\n0.499998 0.447133 0.240846 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P",
"density": 3.5290078287466913,
"density_atomic": 0.09484532180167816,
"volume": 295.2175127682953,
"volume_molar": 6.349433631099184,
"formula_full": "Li4 Mn4 P4 O16",
"formula_reduced": "LiMnPO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.549773820197045,
"spacegroup": 63
},
{
"id": "jvasp-114654",
"created_at": "2022-09-04T14:38:43.053307Z",
"updated_at": "2022-09-04T14:38:43.053334Z",
"structure_string": "Ga2 Ag2 S2\n1.0\n2.826657 -3.914241 0.000000\n2.826657 3.914241 -0.000000\n0.000000 -0.000000 5.934318\nGa Ag S\n2 2 2\ndirect\n0.351585 0.648418 0.250000 Ga\n0.648418 0.351585 0.750000 Ga\n0.000000 0.000000 0.500000 Ag\n0.000000 0.000000 0.000000 Ag\n0.246438 0.753564 0.750000 S\n0.753564 0.246438 0.250000 S\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ga",
"Ag",
"S"
],
"chemical_system": "Ag-Ga-S",
"density": 5.30231248166123,
"density_atomic": 0.04569090558128538,
"volume": 131.31716090253093,
"volume_molar": 13.18017378597683,
"formula_full": "Ga2 Ag2 S2",
"formula_reduced": "GaAgS",
"formula_anonymous": "ABC",
"energy_above_hull": 0.3258831950000002,
"spacegroup": 63
},
{
"id": "jvasp-116543",
"created_at": "2022-09-04T14:38:43.430832Z",
"updated_at": "2022-09-04T14:38:43.430860Z",
"structure_string": "Y6 Ta2 O14\n1.0\n6.437513 -0.000454 0.000000\n-2.156663 6.065507 0.000000\n-0.000000 -0.000000 7.495934\nY Ta O\n6 2 14\ndirect\n0.500000 0.500001 0.500000 Y\n0.500000 0.500001 -0.000000 Y\n0.534315 0.000065 0.750000 Y\n0.000065 0.534315 0.250000 Y\n0.465685 -0.000065 0.250000 Y\n-0.000065 0.465686 0.750000 Y\n0.000000 0.000000 0.500000 Ta\n0.000000 0.000000 0.000000 Ta\n0.629295 0.370705 0.250000 O\n0.370705 0.629296 0.750000 O\n0.067059 0.932942 0.250000 O\n0.932941 0.067059 0.750000 O\n0.072947 0.322742 0.032539 O\n0.322741 0.072947 0.967461 O\n0.677259 0.927054 0.032539 O\n0.322741 0.072947 0.532539 O\n0.927053 0.677259 0.967461 O\n0.637783 0.362218 0.750000 O\n0.927053 0.677259 0.532539 O\n0.677259 0.927054 0.467461 O\n0.072947 0.322742 0.467461 O\n0.362218 0.637783 0.250000 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Y",
"Ta",
"O"
],
"chemical_system": "O-Ta-Y",
"density": 6.3504459607440955,
"density_atomic": 0.07516619906894298,
"volume": 292.6847475661426,
"volume_molar": 8.011767037038082,
"formula_full": "Y6 Ta2 O14",
"formula_reduced": "Y3TaO7",
"formula_anonymous": "AB3C7",
"energy_above_hull": 3.219185459090909,
"spacegroup": 63
},
{
"id": "jvasp-116587",
"created_at": "2022-09-04T14:38:43.748181Z",
"updated_at": "2022-09-04T14:38:43.748205Z",
"structure_string": "Tb2 Al20 Ru4\n1.0\n6.846541 0.013532 0.000000\n-0.804727 6.799097 0.000000\n0.000000 0.000000 9.159701\nTb Al Ru\n2 20 4\ndirect\n0.871927 0.128072 0.750000 Tb\n0.128072 0.871928 0.250000 Tb\n0.480845 0.217604 0.250000 Al\n0.519155 0.782396 0.750000 Al\n0.782396 0.519155 0.250000 Al\n0.217604 0.480845 0.750000 Al\n0.583781 0.853780 0.250000 Al\n0.416218 0.146221 0.750000 Al\n0.146220 0.416218 0.250000 Al\n0.853779 0.583782 0.750000 Al\n0.844775 0.155225 0.398959 Al\n0.155225 0.844775 0.601041 Al\n0.844775 0.155225 0.101041 Al\n0.224964 0.224964 -0.000000 Al\n0.775036 0.775036 -0.000000 Al\n0.775036 0.775036 0.500000 Al\n0.224964 0.224964 0.500000 Al\n0.624164 0.375836 0.954160 Al\n0.375836 0.624164 0.045840 Al\n0.375836 0.624164 0.454160 Al\n0.624164 0.375836 0.545840 Al\n0.155225 0.844775 0.898959 Al\n0.500000 -0.000000 -0.000000 Ru\n-0.000000 0.500000 0.500000 Ru\n-0.000000 0.500000 -0.000000 Ru\n0.500000 -0.000000 0.500000 Ru\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Tb",
"Al",
"Ru"
],
"chemical_system": "Al-Ru-Tb",
"density": 4.912708874857911,
"density_atomic": 0.060963236762669785,
"volume": 426.48654140885174,
"volume_molar": 9.878315325421822,
"formula_full": "Tb2 Al20 Ru4",
"formula_reduced": "Tb(Al5Ru)2",
"formula_anonymous": "AB2C10",
"energy_above_hull": 2.541484415384616,
"spacegroup": 63
},
{
"id": "jvasp-116612",
"created_at": "2022-09-04T14:38:43.507727Z",
"updated_at": "2022-09-04T14:38:43.507747Z",
"structure_string": "Lu4 Al18 Ir6\n1.0\n7.503671 0.001573 0.000000\n-3.706027 6.524603 0.000000\n0.000000 -0.000000 9.420392\nLu Al Ir\n4 18 6\ndirect\n0.995775 0.672120 0.250000 Lu\n0.004224 0.327879 0.750000 Lu\n0.672120 0.995775 0.250000 Lu\n0.327879 0.004224 0.750000 Lu\n0.450389 0.660658 0.750000 Al\n0.549610 0.339341 0.250000 Al\n0.660658 0.450389 0.750000 Al\n0.339341 0.549610 0.250000 Al\n0.332814 0.332814 0.942969 Al\n0.667185 0.667185 0.057031 Al\n0.667185 0.667185 0.442969 Al\n0.332814 0.332814 0.557030 Al\n0.335369 0.000474 0.075787 Al\n0.664630 0.999525 0.575787 Al\n0.000474 0.335369 0.424213 Al\n0.335369 0.000474 0.424213 Al\n0.999525 0.664630 0.575787 Al\n0.999525 0.664630 0.924213 Al\n0.000474 0.335369 0.075787 Al\n0.871364 0.871364 0.750000 Al\n0.128635 0.128635 0.250000 Al\n0.664630 0.999525 0.924213 Al\n0.000000 0.000000 0.000000 Ir\n0.672275 0.327724 -0.000000 Ir\n0.327724 0.672275 -0.000000 Ir\n0.327724 0.672275 0.500000 Ir\n0.672275 0.327724 0.500000 Ir\n0.000000 0.000000 0.500000 Ir\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Lu",
"Al",
"Ir"
],
"chemical_system": "Al-Ir-Lu",
"density": 8.419777643981874,
"density_atomic": 0.06070290450534741,
"volume": 461.2629367270793,
"volume_molar": 9.920679758362306,
"formula_full": "Lu4 Al18 Ir6",
"formula_reduced": "Lu2(Al3Ir)3",
"formula_anonymous": "A2B3C9",
"energy_above_hull": 2.740880714285714,
"spacegroup": 63
},
{
"id": "jvasp-116525",
"created_at": "2022-09-04T14:38:43.515976Z",
"updated_at": "2022-09-04T14:38:43.516004Z",
"structure_string": "K2 Hg2 Br6 O2\n1.0\n8.180117 -0.085363 0.000000\n-6.977048 4.271114 0.000000\n-0.000000 -0.000000 10.107012\nK Hg Br O\n2 2 6 2\ndirect\n0.758758 0.241243 0.329572 K\n0.241242 0.758757 0.829571 K\n-0.000010 0.000010 0.579827 Hg\n0.000010 -0.000010 0.079827 Hg\n0.844917 0.155084 0.632369 Br\n0.155083 0.844915 0.132369 Br\n0.845001 0.155000 0.026794 Br\n0.154999 0.845000 0.526794 Br\n0.539450 0.460550 0.829571 Br\n0.460550 0.539450 0.329571 Br\n0.346808 0.653192 0.329566 O\n0.653192 0.346808 0.829565 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"K",
"Hg",
"Br",
"O"
],
"chemical_system": "Br-Hg-K-O",
"density": 4.7400016617779155,
"density_atomic": 0.03457203210222983,
"volume": 347.10137849334063,
"volume_molar": 17.419111327307782,
"formula_full": "K2 Hg2 Br6 O2",
"formula_reduced": "KHgBr3O",
"formula_anonymous": "ABCD3",
"energy_above_hull": 0.0,
"spacegroup": 63
}
]
}