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=nelements&page=4598",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nelements&page=4596",
"results": [
{
"id": "jvasp-96927",
"created_at": "2022-09-04T14:35:42.865466Z",
"updated_at": "2022-09-04T14:35:42.865493Z",
"structure_string": "Fe4 Co2 As4 H20 O28\n1.0\n5.581046 0.000000 -0.361818\n0.000000 9.584870 0.000000\n-0.140685 0.000000 10.305425\nFe Co As H O\n4 2 4 20 28\ndirect\n0.660015 0.864908 0.549196 Fe\n0.839987 0.364908 0.450804 Fe\n0.339986 0.135092 0.450804 Fe\n0.160015 0.635092 0.549196 Fe\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 -0.000000 Co\n0.174641 0.931313 0.710004 As\n0.325360 0.431313 0.289996 As\n0.674642 0.568687 0.710004 As\n0.825360 0.068687 0.289996 As\n0.550370 0.054814 0.877172 H\n0.980362 0.156291 0.583760 H\n0.519640 0.656291 0.416240 H\n0.761326 0.079839 0.783149 H\n0.738676 0.579839 0.216851 H\n0.238676 0.920161 0.216851 H\n0.261326 0.420161 0.783150 H\n0.949632 0.554814 0.122828 H\n0.211238 0.212652 0.132498 H\n0.050370 0.445186 0.877172 H\n0.788764 0.787348 0.867503 H\n0.711238 0.287348 0.132497 H\n0.480362 0.343709 0.583760 H\n0.288763 0.712652 0.867503 H\n0.821294 0.747104 0.021671 H\n0.678708 0.247104 0.978329 H\n0.449631 0.945186 0.122828 H\n0.019639 0.843709 0.416240 H\n0.321293 0.752896 0.021671 H\n0.178708 0.252896 0.978330 H\n0.431935 0.725546 0.467040 O\n0.882568 0.512913 0.603640 O\n0.617434 0.012913 0.396361 O\n0.117433 0.487087 0.396361 O\n0.382568 0.987087 0.603640 O\n0.396663 0.502461 0.653485 O\n0.103338 0.002461 0.346515 O\n0.603338 0.497539 0.346515 O\n0.896664 0.997539 0.653485 O\n0.749241 0.501696 0.861868 O\n0.750760 0.001696 0.138132 O\n0.250760 0.498304 0.138132 O\n0.249241 0.998304 0.861869 O\n0.678612 0.748419 0.715079 O\n0.321390 0.251581 0.284921 O\n0.178612 0.751581 0.715079 O\n0.931935 0.774454 0.467040 O\n0.568067 0.274454 0.532960 O\n0.378274 0.690803 0.953507 O\n0.121727 0.190803 0.046494 O\n0.621727 0.309197 0.046494 O\n0.878275 0.809197 0.953507 O\n0.216027 0.404989 0.874092 O\n0.283974 0.904989 0.125908 O\n0.783975 0.595011 0.125908 O\n0.716027 0.095011 0.874092 O\n0.821390 0.248419 0.284921 O\n0.068066 0.225546 0.532960 O\n",
"nsites": 58,
"nelements": 5,
"elements": [
"Fe",
"Co",
"As",
"H",
"O"
],
"chemical_system": "As-Co-Fe-H-O",
"density": 3.3436955530686423,
"density_atomic": 0.10530398104127812,
"volume": 550.7863940800545,
"volume_molar": 5.718815851453308,
"formula_full": "Fe4 Co2 As4 H20 O28",
"formula_reduced": "Fe2CoAs2(H5O7)2",
"formula_anonymous": "AB2C2D10E14",
"energy_above_hull": 3.2526587724137928,
"spacegroup": 14
},
{
"id": "jvasp-63195",
"created_at": "2022-09-04T14:35:46.000551Z",
"updated_at": "2022-09-04T14:35:46.000591Z",
"structure_string": "Ca4 Si4 B4 H4 O20\n1.0\n0.000000 4.842603 0.002245\n7.642604 0.000000 0.000000\n0.000000 -0.033624 -9.706613\nCa Si B H O\n4 4 4 4 20\ndirect\n0.991983 0.393728 0.836445 Ca\n0.008018 0.893728 0.663556 Ca\n0.008018 0.606271 0.163556 Ca\n0.991982 0.106272 0.336445 Ca\n0.529259 0.732419 0.915938 Si\n0.470742 0.232420 0.584062 Si\n0.470741 0.267580 0.084062 Si\n0.529258 0.767580 0.415938 Si\n0.428421 0.911368 0.159027 B\n0.571579 0.411368 0.340973 B\n0.571579 0.088632 0.840973 B\n0.428421 0.588631 0.659027 B\n0.810016 0.535134 0.577367 H\n0.189984 0.035134 0.922633 H\n0.810016 0.964865 0.077367 H\n0.189984 0.464865 0.422633 H\n0.678306 0.335265 0.211203 O\n0.261005 0.413739 0.336686 O\n0.738995 0.913739 0.163314 O\n0.687372 0.588990 0.354290 O\n0.312628 0.088990 0.145711 O\n0.312629 0.411009 0.645711 O\n0.687372 0.911009 0.854289 O\n0.321693 0.835265 0.288798 O\n0.678307 0.164734 0.711203 O\n0.241715 0.095461 0.535979 O\n0.325916 0.697576 0.542363 O\n0.674084 0.197576 0.957637 O\n0.674084 0.302423 0.457637 O\n0.325916 0.802423 0.042364 O\n0.758286 0.904538 0.464022 O\n0.241714 0.404538 0.035979 O\n0.261005 0.086261 0.836686 O\n0.758286 0.595461 0.964022 O\n0.321694 0.664734 0.788797 O\n0.738995 0.586260 0.663314 O\n",
"nsites": 36,
"nelements": 5,
"elements": [
"Ca",
"Si",
"B",
"H",
"O"
],
"chemical_system": "B-Ca-H-O-Si",
"density": 2.957917246966626,
"density_atomic": 0.10021096849344167,
"volume": 359.24211232781397,
"volume_molar": 6.009462687105075,
"formula_full": "Ca4 Si4 B4 H4 O20",
"formula_reduced": "CaSiBHO5",
"formula_anonymous": "ABCDE5",
"energy_above_hull": 2.564916567037037,
"spacegroup": 14
},
{
"id": "jvasp-98873",
"created_at": "2022-09-04T14:35:40.992739Z",
"updated_at": "2022-09-04T14:35:40.992754Z",
"structure_string": "Fe4 Te4 S8 N8 Cl20\n1.0\n7.308607 0.000000 -0.946326\n0.000000 12.148112 0.000000\n-0.003109 0.000000 12.377628\nFe Te S N Cl\n4 4 8 8 20\ndirect\n0.727501 0.857004 0.461605 Fe\n0.272500 0.357004 0.038395 Fe\n0.272500 0.142996 0.538395 Fe\n0.727500 0.642995 0.961605 Fe\n0.135034 0.939738 0.261077 Te\n0.864966 0.439738 0.238923 Te\n0.864966 0.060262 0.738923 Te\n0.135034 0.560262 0.761077 Te\n0.378838 0.018712 0.158175 S\n0.705945 0.196730 0.914800 S\n0.705945 0.303269 0.414800 S\n0.621163 0.518712 0.341825 S\n0.294055 0.696730 0.585200 S\n0.378838 0.481288 0.658175 S\n0.621162 0.981288 0.841825 S\n0.294055 0.803269 0.085200 S\n0.596677 0.085985 0.920593 N\n0.156478 0.694342 0.671697 N\n0.156478 0.805658 0.171697 N\n0.843522 0.194342 0.828303 N\n0.843522 0.305658 0.328303 N\n0.403323 0.585985 0.579407 N\n0.403323 0.914015 0.079407 N\n0.596677 0.414015 0.420593 N\n0.266300 0.328468 0.861165 Cl\n0.862006 0.496610 0.648960 Cl\n0.467352 0.796574 0.372536 Cl\n0.945433 0.762529 0.396834 Cl\n0.733700 0.828468 0.638835 Cl\n0.236859 0.968362 0.570570 Cl\n0.763141 0.468362 0.929430 Cl\n0.945433 0.737471 0.896834 Cl\n0.236860 0.531638 0.070570 Cl\n0.763141 0.031638 0.429430 Cl\n0.733701 0.671531 0.138835 Cl\n0.137994 0.503390 0.351040 Cl\n0.862006 0.003390 0.148960 Cl\n0.266300 0.171532 0.361165 Cl\n0.054568 0.262529 0.103165 Cl\n0.054568 0.237471 0.603165 Cl\n0.137994 0.996610 0.851040 Cl\n0.532649 0.203426 0.627463 Cl\n0.467352 0.703426 0.872537 Cl\n0.532649 0.296574 0.127463 Cl\n",
"nsites": 44,
"nelements": 5,
"elements": [
"Fe",
"Te",
"S",
"N",
"Cl"
],
"chemical_system": "Cl-Fe-N-S-Te",
"density": 2.7371589828034075,
"density_atomic": 0.040039254096139267,
"volume": 1098.9215706753798,
"volume_molar": 15.040591779107784,
"formula_full": "Fe4 Te4 S8 N8 Cl20",
"formula_reduced": "FeTeS2N2Cl5",
"formula_anonymous": "ABC2D2E5",
"energy_above_hull": 2.0605109185606065,
"spacegroup": 14
},
{
"id": "jvasp-28959",
"created_at": "2022-09-04T14:35:42.660132Z",
"updated_at": "2022-09-04T14:35:42.660158Z",
"structure_string": "Te4 Mo2 W2 Se2 S2\n1.0\n3.404395 -0.000140 0.000163\n-1.702318 2.948570 0.001017\n0.001682 0.013335 35.143388\nTe Mo W Se S\n4 2 2 2 2\ndirect\n0.333174 0.666392 0.728524 Te\n0.666769 0.333365 0.413563 Te\n0.666413 0.332613 0.520327 Te\n0.333804 0.667627 0.621293 Te\n0.333202 0.666270 0.466975 Mo\n0.666567 0.333041 0.270455 Mo\n0.333310 0.666916 0.090581 W\n0.666917 0.333759 0.674970 W\n0.333009 0.665973 0.317367 Se\n0.333436 0.666791 0.223552 Se\n0.666958 0.334139 0.047671 S\n0.666448 0.333121 0.133471 S\n",
"nsites": 12,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 6.0817747637456145,
"density_atomic": 0.03401704665804328,
"volume": 352.76431021864204,
"volume_molar": 17.70330276034141,
"formula_full": "Te4 Mo2 W2 Se2 S2",
"formula_reduced": "Te2MoWSeS",
"formula_anonymous": "ABCDE2",
"energy_above_hull": 3.462604133333333,
"spacegroup": 156
},
{
"id": "jvasp-28565",
"created_at": "2022-09-04T14:35:41.223600Z",
"updated_at": "2022-09-04T14:35:41.223613Z",
"structure_string": "Te2 Mo2 W1 Se2 S2\n1.0\n3.354234 0.000000 0.000000\n-1.677117 2.904850 0.000262\n0.000000 0.002719 29.227006\nTe Mo W Se S\n2 2 1 2 2\ndirect\n0.333286 0.666575 0.408805 Te\n0.333404 0.666812 0.278867 Te\n0.333518 0.667036 0.114581 Mo\n0.666679 0.333359 0.343874 Mo\n0.333113 0.666229 0.582526 W\n0.666495 0.332992 0.525263 Se\n0.666399 0.332800 0.639696 Se\n0.666902 0.333806 0.062761 S\n0.666795 0.333591 0.166468 S\n",
"nsites": 9,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 4.9737214704070745,
"density_atomic": 0.03160393182123505,
"volume": 284.77469357001956,
"volume_molar": 19.05503655071694,
"formula_full": "Te2 Mo2 W1 Se2 S2",
"formula_reduced": "Te2Mo2W(SeS)2",
"formula_anonymous": "AB2C2D2E2",
"energy_above_hull": 3.666716007407407,
"spacegroup": 156
},
{
"id": "jvasp-99237",
"created_at": "2022-09-04T14:35:42.745015Z",
"updated_at": "2022-09-04T14:35:42.745032Z",
"structure_string": "Ca2 Al4 Si4 H8 O20\n1.0\n2.930471 4.442067 0.000000\n-2.930471 4.442067 0.000000\n0.000000 0.000000 13.231289\nCa Al Si H O\n2 4 4 8 20\ndirect\n0.335752 0.335752 0.250000 Ca\n0.664249 0.664249 0.750000 Ca\n0.000000 0.500000 0.500000 Al\n0.500000 0.000000 0.500000 Al\n0.000000 0.500000 0.000000 Al\n0.500000 0.000000 0.000000 Al\n0.983050 0.983050 0.367198 Si\n0.016951 0.016951 0.632802 Si\n0.983050 0.983050 0.132802 Si\n0.016951 0.016951 0.867198 Si\n0.466739 0.466739 0.934650 H\n0.533262 0.533262 0.065350 H\n0.466739 0.466739 0.565350 H\n0.533262 0.533262 0.434650 H\n0.335849 0.335849 0.812847 H\n0.664152 0.664152 0.187154 H\n0.335849 0.335849 0.687154 H\n0.664152 0.664152 0.312847 H\n0.358047 0.358047 0.947399 O\n0.641954 0.641954 0.052601 O\n0.358047 0.358047 0.552601 O\n0.641954 0.641954 0.447399 O\n0.860155 0.860155 0.935746 O\n0.139845 0.139845 0.064254 O\n0.860155 0.860155 0.564254 O\n0.139845 0.139845 0.435746 O\n0.651583 0.112255 0.115728 O\n0.052212 0.052212 0.250000 O\n0.651583 0.112255 0.384272 O\n0.887746 0.348418 0.615728 O\n0.348418 0.887746 0.884272 O\n0.112255 0.651583 0.115728 O\n0.348418 0.887746 0.615728 O\n0.112255 0.651583 0.384272 O\n0.947788 0.947788 0.750000 O\n0.604165 0.604165 0.250000 O\n0.887746 0.348418 0.884272 O\n0.395836 0.395836 0.750000 O\n",
"nsites": 38,
"nelements": 5,
"elements": [
"Ca",
"Al",
"Si",
"H",
"O"
],
"chemical_system": "Al-Ca-H-O-Si",
"density": 3.0295832172314587,
"density_atomic": 0.11031356319032173,
"volume": 344.47260065781194,
"volume_molar": 5.459111813485821,
"formula_full": "Ca2 Al4 Si4 H8 O20",
"formula_reduced": "CaAl2Si2(H2O5)2",
"formula_anonymous": "AB2C2D4E10",
"energy_above_hull": 2.7605883273684206,
"spacegroup": 63
},
{
"id": "jvasp-86189",
"created_at": "2022-09-04T14:35:42.247945Z",
"updated_at": "2022-09-04T14:35:42.247977Z",
"structure_string": "Rb1 Cd1 Ag3 C6 N6\n1.0\n6.870921 0.000000 -0.000000\n-3.435461 5.950392 -0.000000\n-0.000000 0.000000 8.489219\nRb Cd Ag C N\n1 1 3 6 6\ndirect\n0.333333 0.666667 0.000000 Rb\n0.000000 0.000000 0.000000 Cd\n0.508280 0.016559 0.500000 Ag\n0.508280 0.491720 0.500000 Ag\n0.983441 0.491720 0.500000 Ag\n0.986540 0.344130 0.291944 C\n0.357589 0.344130 0.708056 C\n0.986540 0.642410 0.708056 C\n0.655870 0.642410 0.291944 C\n0.655870 0.013460 0.708056 C\n0.357589 0.013460 0.291944 C\n0.990531 0.262515 0.172125 N\n0.737485 0.728016 0.172125 N\n0.737485 0.009469 0.827875 N\n0.271984 0.262515 0.827875 N\n0.271984 0.009469 0.172125 N\n0.990531 0.728016 0.827875 N\n",
"nsites": 17,
"nelements": 5,
"elements": [
"Rb",
"Cd",
"Ag",
"C",
"N"
],
"chemical_system": "Ag-C-Cd-N-Rb",
"density": 3.2418014013845067,
"density_atomic": 0.04898021100017427,
"volume": 347.07894582037454,
"volume_molar": 12.295048626839467,
"formula_full": "Rb1 Cd1 Ag3 C6 N6",
"formula_reduced": "RbCdAg3(CN)6",
"formula_anonymous": "ABC3D6E6",
"energy_above_hull": 4.690197119411764,
"spacegroup": 149
},
{
"id": "jvasp-85675",
"created_at": "2022-09-04T14:35:45.521889Z",
"updated_at": "2022-09-04T14:35:45.521920Z",
"structure_string": "Na3 Mg1 P2 H1 O8\n1.0\n4.640182 0.000239 -2.395549\n-0.159184 6.833922 -0.186110\n0.022154 -0.001581 5.174204\nNa Mg P H O\n3 1 2 1 8\ndirect\n0.295007 0.785545 0.661641 Na\n0.704992 0.214455 0.338358 Na\n0.000000 0.500000 0.000000 Na\n0.000000 0.000000 0.000000 Mg\n0.355243 0.242700 0.660455 P\n0.644757 0.757300 0.339543 P\n0.500000 0.500000 -0.000000 H\n0.217454 0.097851 0.784073 O\n0.782546 0.902149 0.215926 O\n0.683143 0.211565 0.787427 O\n0.316856 0.788435 0.212571 O\n0.313081 0.456541 0.758365 O\n0.686919 0.543459 0.241634 O\n0.791309 0.772090 0.674316 O\n0.208691 0.227910 0.325683 O\n",
"nsites": 15,
"nelements": 5,
"elements": [
"Na",
"Mg",
"P",
"H",
"O"
],
"chemical_system": "H-Mg-Na-O-P",
"density": 2.870175864963189,
"density_atomic": 0.09121965757709546,
"volume": 164.43824059877178,
"volume_molar": 6.601801541417003,
"formula_full": "Na3 Mg1 P2 H1 O8",
"formula_reduced": "Na3MgP2HO8",
"formula_anonymous": "ABC2D3E8",
"energy_above_hull": 1.89819967,
"spacegroup": 2
},
{
"id": "jvasp-95994",
"created_at": "2022-09-04T14:35:58.564642Z",
"updated_at": "2022-09-04T14:35:58.564657Z",
"structure_string": "Ca4 Be4 P4 O16 F4\n1.0\n4.752510 0.000000 -0.052319\n0.000000 7.713565 0.000000\n-0.089250 0.000000 9.788041\nCa Be P O F\n4 4 4 16 4\ndirect\n0.004209 0.888042 0.670276 Ca\n0.995791 0.111958 0.329724 Ca\n0.004209 0.611959 0.170276 Ca\n0.995791 0.388042 0.829724 Ca\n0.452840 0.914336 0.161513 Be\n0.547160 0.414335 0.338487 Be\n0.547160 0.085665 0.838487 Be\n0.452840 0.585665 0.661513 Be\n0.476142 0.228398 0.581222 P\n0.523858 0.728398 0.918778 P\n0.476142 0.271602 0.081222 P\n0.523858 0.771603 0.418778 P\n0.338065 0.109196 0.146510 O\n0.316554 0.845796 0.306665 O\n0.683446 0.154205 0.693335 O\n0.653359 0.217772 0.956814 O\n0.653359 0.282228 0.456814 O\n0.346641 0.782229 0.043186 O\n0.246879 0.099731 0.539141 O\n0.753121 0.599732 0.960859 O\n0.661935 0.609197 0.353490 O\n0.316554 0.654205 0.806665 O\n0.346641 0.717772 0.543186 O\n0.683445 0.345796 0.193335 O\n0.661935 0.890804 0.853490 O\n0.338065 0.390804 0.646510 O\n0.246879 0.400269 0.039141 O\n0.753121 0.900269 0.460859 O\n0.214473 0.407322 0.326184 F\n0.214473 0.092678 0.826184 F\n0.785527 0.592679 0.673816 F\n0.785527 0.907322 0.173816 F\n",
"nsites": 32,
"nelements": 5,
"elements": [
"Ca",
"Be",
"P",
"O",
"F"
],
"chemical_system": "Be-Ca-F-O-P",
"density": 3.018742160284039,
"density_atomic": 0.0891907082067758,
"volume": 358.78176822873314,
"volume_molar": 6.751982219984771,
"formula_full": "Ca4 Be4 P4 O16 F4",
"formula_reduced": "CaBePO4F",
"formula_anonymous": "ABCDE4",
"energy_above_hull": 1.6313282878125,
"spacegroup": 14
},
{
"id": "jvasp-97668",
"created_at": "2022-09-04T14:36:04.979486Z",
"updated_at": "2022-09-04T14:36:04.979510Z",
"structure_string": "Li2 H40 C16 Br2 O8\n1.0\n6.312638 3.890178 -0.578819\n-6.312638 3.890178 0.578819\n0.226929 0.000000 11.929482\nLi H C Br O\n2 40 16 2 8\ndirect\n0.934295 0.934294 0.750000 Li\n0.065706 0.065706 0.250000 Li\n0.877130 0.365015 0.415386 H\n0.365015 0.877130 0.084614 H\n0.183163 0.898765 0.575135 H\n0.898765 0.183163 0.924865 H\n0.816837 0.101236 0.424865 H\n0.101236 0.816837 0.075135 H\n0.227042 0.787981 0.873623 H\n0.787981 0.227042 0.626377 H\n0.772959 0.212019 0.126377 H\n0.372492 0.923912 0.755692 H\n0.923912 0.372492 0.744307 H\n0.627509 0.076089 0.244308 H\n0.076089 0.627509 0.255692 H\n0.282374 0.653476 0.771250 H\n0.653476 0.282374 0.728750 H\n0.717627 0.346524 0.228750 H\n0.346524 0.717627 0.271250 H\n0.634986 0.122870 0.915386 H\n0.122870 0.634986 0.584614 H\n0.212019 0.772958 0.373623 H\n0.430403 0.234867 0.527397 H\n0.234868 0.430403 0.972603 H\n0.864469 0.701757 0.463699 H\n0.701757 0.864469 0.036300 H\n0.135532 0.298243 0.536300 H\n0.298244 0.135532 0.963699 H\n0.757715 0.540331 0.585078 H\n0.540331 0.757714 0.914921 H\n0.459669 0.242286 0.085078 H\n0.556719 0.892706 0.593438 H\n0.242286 0.459669 0.414921 H\n0.569598 0.765133 0.472603 H\n0.443282 0.107294 0.406562 H\n0.107294 0.443282 0.093438 H\n0.495386 0.629930 0.606275 H\n0.629930 0.495386 0.893725 H\n0.504614 0.370070 0.393725 H\n0.370070 0.504614 0.106275 H\n0.892706 0.556719 0.906562 H\n0.765133 0.569598 0.027397 H\n0.926321 0.252089 0.393866 C\n0.252089 0.926321 0.106134 C\n0.248963 0.780466 0.784279 C\n0.219535 0.751038 0.284279 C\n0.751038 0.219535 0.215720 C\n0.747912 0.073680 0.893866 C\n0.780466 0.248963 0.715720 C\n0.073680 0.747912 0.606134 C\n0.134919 0.306276 0.443688 C\n0.407793 0.223948 0.435451 C\n0.776052 0.592207 0.935451 C\n0.592207 0.776052 0.564549 C\n0.306276 0.134919 0.056312 C\n0.693725 0.865082 0.943687 C\n0.865082 0.693725 0.556312 C\n0.223948 0.407793 0.064549 C\n0.729231 0.729231 0.250000 Br\n0.270770 0.270770 0.750000 Br\n0.937654 0.251086 0.274053 O\n0.801558 0.835094 0.595670 O\n0.835094 0.801558 0.904330 O\n0.198443 0.164907 0.404330 O\n0.164907 0.198443 0.095670 O\n0.062346 0.748914 0.725947 O\n0.748915 0.062346 0.774053 O\n0.251086 0.937654 0.225947 O\n",
"nsites": 68,
"nelements": 5,
"elements": [
"Li",
"H",
"C",
"Br",
"O"
],
"chemical_system": "Br-C-H-Li-O",
"density": 1.51127347133743,
"density_atomic": 0.11585642638142672,
"volume": 586.9333460720421,
"volume_molar": 5.1979341570347515,
"formula_full": "Li2 H40 C16 Br2 O8",
"formula_reduced": "LiH20C8BrO4",
"formula_anonymous": "ABC4D8E20",
"energy_above_hull": 4.16607847367647,
"spacegroup": 15
},
{
"id": "jvasp-90116",
"created_at": "2022-09-04T14:35:55.192784Z",
"updated_at": "2022-09-04T14:35:55.192813Z",
"structure_string": "Sr2 Cu1 Ag2 S2 O2\n1.0\n3.908766 -0.000000 -0.862319\n-0.190237 3.904135 -0.862319\n0.180428 0.189435 10.107941\nSr Cu Ag S O\n2 1 2 2 2\ndirect\n0.586365 0.586364 0.172728 Sr\n0.413636 0.413634 0.827271 Sr\n0.000000 0.000000 0.000000 Cu\n0.750001 0.249999 0.500000 Ag\n0.250000 0.749999 0.500000 Ag\n0.843899 0.843897 0.687797 S\n0.156101 0.156101 0.312202 S\n0.500001 0.000000 -0.000000 O\n-0.000000 0.499999 -0.000000 O\n",
"nsites": 9,
"nelements": 5,
"elements": [
"Sr",
"Cu",
"Ag",
"S",
"O"
],
"chemical_system": "Ag-Cu-O-S-Sr",
"density": 5.879194638148394,
"density_atomic": 0.057867491999912105,
"volume": 155.52773567607994,
"volume_molar": 10.406776848060302,
"formula_full": "Sr2 Cu1 Ag2 S2 O2",
"formula_reduced": "Sr2CuAg2(SO)2",
"formula_anonymous": "AB2C2D2E2",
"energy_above_hull": 0.6962093988888887,
"spacegroup": 139
},
{
"id": "jvasp-89538",
"created_at": "2022-09-04T14:36:02.030186Z",
"updated_at": "2022-09-04T14:36:02.030214Z",
"structure_string": "Hg2 H16 C4 Br6 N2\n1.0\n6.400658 0.000000 0.000000\n0.000000 6.729570 -0.780066\n0.000000 0.073447 10.163604\nHg H C Br N\n2 16 4 6 2\ndirect\n0.750000 0.570962 0.138210 Hg\n0.250000 0.429039 0.861789 Hg\n0.616984 0.979128 0.826122 H\n0.889523 0.155558 0.610161 H\n0.116984 0.020872 0.173877 H\n0.610477 0.155558 0.610161 H\n0.250000 0.232933 0.170780 H\n0.611076 0.780584 0.612687 H\n0.388925 0.219416 0.387312 H\n0.250000 0.964209 0.527552 H\n0.750000 0.767067 0.829219 H\n0.750000 0.035791 0.472447 H\n0.888925 0.780584 0.612687 H\n0.383016 0.020872 0.173877 H\n0.883016 0.979128 0.826122 H\n0.110477 0.844442 0.389838 H\n0.389523 0.844442 0.389838 H\n0.111075 0.219416 0.387312 H\n0.750000 0.065843 0.581095 C\n0.250000 0.934157 0.418905 C\n0.250000 0.129584 0.358706 C\n0.750000 0.870417 0.641293 C\n0.750000 0.432509 0.886648 Br\n0.750000 0.971109 0.131153 Br\n0.250000 0.567492 0.113351 Br\n0.750000 0.480005 0.372121 Br\n0.250000 0.519995 0.627878 Br\n0.250000 0.028891 0.868846 Br\n0.250000 0.097211 0.210075 N\n0.750000 0.902790 0.789924 N\n",
"nsites": 30,
"nelements": 5,
"elements": [
"Hg",
"H",
"C",
"Br",
"N"
],
"chemical_system": "Br-C-H-Hg-N",
"density": 3.686749659318177,
"density_atomic": 0.06846962364443232,
"volume": 438.15050241537995,
"volume_molar": 8.795346665367127,
"formula_full": "Hg2 H16 C4 Br6 N2",
"formula_reduced": "HgH8C2Br3N",
"formula_anonymous": "ABC2D3E8",
"energy_above_hull": 2.948548011,
"spacegroup": 11
}
]
}