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=4399",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nelements&page=4397",
"results": [
{
"id": "jvasp-116706",
"created_at": "2022-09-04T14:38:43.998609Z",
"updated_at": "2022-09-04T14:38:43.998625Z",
"structure_string": "Cr4 In1 Ag1 Se8\n1.0\n6.619830 0.000000 3.821961\n2.206610 6.241236 3.821961\n-0.000000 -0.000000 7.643921\nCr In Ag Se\n4 1 1 8\ndirect\n0.379082 0.379082 0.379082 Cr\n0.379082 0.862754 0.379081 Cr\n0.862753 0.379082 0.379082 Cr\n0.379082 0.379082 0.862753 Cr\n0.000000 0.000000 0.000000 In\n0.750000 0.750001 0.750000 Ag\n0.140307 0.140307 0.140307 Se\n0.140307 0.579077 0.140307 Se\n0.579077 0.140307 0.140307 Se\n0.140307 0.140307 0.579077 Se\n0.610986 0.610986 0.610985 Se\n0.610986 0.167044 0.610985 Se\n0.167044 0.610986 0.610985 Se\n0.610986 0.610986 0.167044 Se\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Cr",
"In",
"Ag",
"Se"
],
"chemical_system": "Ag-Cr-In-Se",
"density": 5.585773655508156,
"density_atomic": 0.04432966038333518,
"volume": 315.81563853493924,
"volume_molar": 13.584901639047743,
"formula_full": "Cr4 In1 Ag1 Se8",
"formula_reduced": "Cr4InAgSe8",
"formula_anonymous": "ABC4D8",
"energy_above_hull": 2.570563125952382,
"spacegroup": 216
},
{
"id": "jvasp-21400",
"created_at": "2022-09-04T14:38:32.923006Z",
"updated_at": "2022-09-04T14:38:32.923035Z",
"structure_string": "Y4 Be4 Si2 O14\n1.0\n7.327694 0.000000 0.000000\n0.000000 7.327694 -0.000000\n0.000000 -0.000000 4.781003\nY Be Si O\n4 4 2 14\ndirect\n0.158983 0.341017 0.506685 Y\n0.658983 0.158983 0.493315 Y\n0.341017 0.841016 0.493315 Y\n0.841016 0.658983 0.506685 Y\n0.137283 0.637283 0.041640 Be\n0.637283 0.862716 0.958359 Be\n0.362716 0.137283 0.958359 Be\n0.862716 0.362716 0.041640 Be\n0.500000 0.500000 0.000000 Si\n0.000000 0.000000 0.000000 Si\n0.358377 0.141623 0.291424 O\n0.858377 0.358377 0.708576 O\n0.141623 0.641623 0.708576 O\n0.641623 0.858377 0.291424 O\n0.337148 0.581568 0.200804 O\n0.662852 0.418432 0.200804 O\n0.837148 0.918431 0.799195 O\n0.418432 0.337148 0.799195 O\n0.081568 0.837148 0.200804 O\n0.162852 0.081568 0.799195 O\n0.500000 0.000000 0.817833 O\n0.918431 0.162852 0.200804 O\n0.581568 0.662852 0.799195 O\n0.000000 0.500000 0.182166 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Y",
"Be",
"Si",
"O"
],
"chemical_system": "Be-O-Si-Y",
"density": 4.34568137029959,
"density_atomic": 0.0934883672846315,
"volume": 256.7164311141558,
"volume_molar": 6.4415936815595405,
"formula_full": "Y4 Be4 Si2 O14",
"formula_reduced": "Y2Be2SiO7",
"formula_anonymous": "AB2C2D7",
"energy_above_hull": 2.71353135,
"spacegroup": 113
},
{
"id": "jvasp-21436",
"created_at": "2022-09-04T14:38:33.296909Z",
"updated_at": "2022-09-04T14:38:33.296943Z",
"structure_string": "K2 Li2 S2 O8\n1.0\n2.557119 -4.429061 -0.000000\n2.557119 4.429061 -0.000000\n0.000000 -0.000000 8.700986\nK Li S O\n2 2 2 8\ndirect\n0.000000 0.000000 0.819503 K\n0.000000 0.000000 0.319503 K\n0.333333 0.666667 0.506163 Li\n0.666667 0.333333 0.006162 Li\n0.333333 0.666667 0.116991 S\n0.666667 0.333333 0.616991 S\n0.943288 0.605790 0.561774 O\n0.605790 0.943288 0.061774 O\n0.662502 0.056713 0.561774 O\n0.394210 0.337498 0.561774 O\n0.333333 0.666667 0.287522 O\n0.666667 0.333333 0.787522 O\n0.337498 0.394210 0.061774 O\n0.056713 0.662502 0.061774 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"K",
"Li",
"S",
"O"
],
"chemical_system": "K-Li-O-S",
"density": 2.394516927327699,
"density_atomic": 0.07103411422005873,
"volume": 197.08840116776815,
"volume_molar": 8.477814957111773,
"formula_full": "K2 Li2 S2 O8",
"formula_reduced": "KLiSO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.5550488571428571,
"spacegroup": 159
},
{
"id": "jvasp-56663",
"created_at": "2022-09-04T14:38:33.700600Z",
"updated_at": "2022-09-04T14:38:33.700632Z",
"structure_string": "Li4 Mn2 Si2 O8\n1.0\n4.995106 0.000000 0.000000\n0.000000 5.355460 0.000000\n0.000000 0.000000 6.318914\nLi Mn Si O\n4 2 2 8\ndirect\n0.556401 0.330370 0.250577 Li\n0.556401 0.330370 0.749423 Li\n0.056401 0.669630 0.750576 Li\n0.056401 0.669630 0.249423 Li\n0.558512 0.826837 0.000000 Mn\n0.058511 0.173163 0.500000 Mn\n0.049960 0.177682 0.000000 Si\n0.549961 0.822318 0.500000 Si\n0.718682 0.182889 0.000000 O\n0.163367 0.321855 0.213720 O\n0.663367 0.678145 0.713720 O\n0.218682 0.817111 0.500000 O\n0.148353 0.881206 0.000000 O\n0.648353 0.118794 0.500000 O\n0.663367 0.678145 0.286279 O\n0.163367 0.321855 0.786279 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Si",
"O"
],
"chemical_system": "Li-Mn-O-Si",
"density": 3.161256189577738,
"density_atomic": 0.09465336309560561,
"volume": 169.03783950961187,
"volume_molar": 6.362310395582326,
"formula_full": "Li4 Mn2 Si2 O8",
"formula_reduced": "Li2MnSiO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 2.377471230172413,
"spacegroup": 31
},
{
"id": "jvasp-110548",
"created_at": "2022-09-04T14:38:38.809484Z",
"updated_at": "2022-09-04T14:38:38.809512Z",
"structure_string": "Pr1 Zn1 Ag1 As2\n1.0\n4.338941 -0.000000 0.000000\n-2.169471 3.757634 -0.000000\n-0.000000 0.000000 6.972483\nPr Zn Ag As\n1 1 1 2\ndirect\n0.000000 0.000000 0.986031 Pr\n0.666667 0.333333 0.373881 Zn\n0.333333 0.666666 0.640471 Ag\n0.333333 0.666666 0.248337 As\n0.666667 0.333333 0.751281 As\n",
"nsites": 5,
"nelements": 4,
"elements": [
"Pr",
"Zn",
"Ag",
"As"
],
"chemical_system": "Ag-As-Pr-Zn",
"density": 6.778094912066813,
"density_atomic": 0.04398294635336401,
"volume": 113.68042422236633,
"volume_molar": 13.69199032647207,
"formula_full": "Pr1 Zn1 Ag1 As2",
"formula_reduced": "PrZnAgAs2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.826750202,
"spacegroup": 156
},
{
"id": "jvasp-112821",
"created_at": "2022-09-04T14:38:44.035837Z",
"updated_at": "2022-09-04T14:38:44.035861Z",
"structure_string": "Li5 Mn3 Ni2 O10\n1.0\n4.856383 0.006340 -1.130632\n-1.184420 4.658656 -1.494151\n-0.036924 0.018024 7.735273\nLi Mn Ni O\n5 3 2 10\ndirect\n0.199941 0.924963 0.423195 Li\n0.388773 0.285468 0.774724 Li\n0.499999 0.500002 0.499999 Li\n0.611230 0.714532 0.225278 Li\n0.800055 0.075043 0.576805 Li\n0.000002 0.499998 -0.000001 Mn\n0.689100 0.897839 0.891478 Mn\n0.310900 0.102162 0.108524 Mn\n0.900637 0.309024 0.313939 Ni\n0.099362 0.690977 0.686060 Ni\n0.638993 0.267021 0.040985 O\n0.042351 0.115184 0.871628 O\n0.361010 0.732974 0.959015 O\n0.143969 0.307613 0.550868 O\n0.232445 0.461281 0.222641 O\n0.465955 0.900566 0.669904 O\n0.534049 0.099436 0.330096 O\n0.767554 0.538714 0.777358 O\n0.856027 0.692392 0.449129 O\n0.957651 0.884811 0.128373 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Ni",
"O"
],
"chemical_system": "Li-Mn-Ni-O",
"density": 4.524601288740869,
"density_atomic": 0.11427045320562339,
"volume": 175.0233716498096,
"volume_molar": 5.270076901824735,
"formula_full": "Li5 Mn3 Ni2 O10",
"formula_reduced": "Li5Mn3(NiO5)2",
"formula_anonymous": "A2B3C5D10",
"energy_above_hull": 2.5871260762068964,
"spacegroup": 2
},
{
"id": "jvasp-117051",
"created_at": "2022-09-04T14:38:45.116149Z",
"updated_at": "2022-09-04T14:38:45.116185Z",
"structure_string": "Mg2 In2 Mo2 S8\n1.0\n6.524223 0.000107 3.768713\n2.135390 6.163576 3.835822\n-0.019928 0.041696 7.567234\nMg In Mo S\n2 2 2 8\ndirect\n0.874057 0.875949 0.875945 Mg\n0.125941 0.124056 0.124050 Mg\n0.499994 0.500007 0.499999 In\n0.000001 0.499994 0.500000 In\n0.500000 0.500001 0.000001 Mo\n0.500005 -0.000001 0.499999 Mo\n0.728852 0.746885 0.746885 S\n0.267835 0.238345 0.725899 S\n0.267886 0.725880 0.238349 S\n0.722597 0.253155 0.253126 S\n0.732104 0.274123 0.761651 S\n0.277402 0.746851 0.746875 S\n0.271156 0.253108 0.253114 S\n0.732168 0.761655 0.274098 S\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Mg",
"In",
"Mo",
"S"
],
"chemical_system": "In-Mg-Mo-S",
"density": 3.9684926276109347,
"density_atomic": 0.04604491004348187,
"volume": 304.0509795062971,
"volume_molar": 13.078841405734261,
"formula_full": "Mg2 In2 Mo2 S8",
"formula_reduced": "MgInMoS4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.8753449885714284,
"spacegroup": 74
},
{
"id": "jvasp-112412",
"created_at": "2022-09-04T14:38:40.036922Z",
"updated_at": "2022-09-04T14:38:40.036952Z",
"structure_string": "Rb4 Na8 Co4 O10\n1.0\n6.472495 -0.000000 0.000000\n0.000000 6.472495 0.000000\n-0.000000 -0.000000 10.038521\nRb Na Co O\n4 8 4 10\ndirect\n0.302018 0.302018 -0.000000 Rb\n0.197982 0.802017 0.500000 Rb\n0.802017 0.197982 0.500000 Rb\n0.697982 0.697982 -0.000000 Rb\n-0.000000 0.500000 0.750000 Na\n0.500000 0.000000 0.750000 Na\n0.000000 0.000000 0.776162 Na\n0.500000 0.000000 0.250000 Na\n0.500000 0.500000 0.276162 Na\n0.500000 0.500000 0.723837 Na\n0.000000 0.000000 0.223837 Na\n-0.000000 0.500000 0.250000 Na\n0.289769 0.289769 0.500000 Co\n0.210230 0.789769 -0.000000 Co\n0.710230 0.710230 0.500000 Co\n0.789769 0.210230 -0.000000 Co\n0.777146 0.777146 0.330385 O\n0.500000 0.500000 0.500000 O\n0.000000 0.000000 0.000000 O\n0.722853 0.277146 0.830385 O\n0.277146 0.722853 0.830385 O\n0.222854 0.222854 0.330385 O\n0.777146 0.777146 0.669615 O\n0.222854 0.222854 0.669615 O\n0.722853 0.277146 0.169615 O\n0.277146 0.722853 0.169615 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Rb",
"Na",
"Co",
"O"
],
"chemical_system": "Co-Na-O-Rb",
"density": 3.638638092596424,
"density_atomic": 0.06182443681714836,
"volume": 420.5456828809855,
"volume_molar": 9.74071268584468,
"formula_full": "Rb4 Na8 Co4 O10",
"formula_reduced": "Rb2Na4Co2O5",
"formula_anonymous": "A2B2C4D5",
"energy_above_hull": 1.212239638461539,
"spacegroup": 136
},
{
"id": "jvasp-112140",
"created_at": "2022-09-04T14:38:45.117419Z",
"updated_at": "2022-09-04T14:38:45.117445Z",
"structure_string": "Zn1 H20 C12 O4\n1.0\n3.983200 -0.246057 -0.122974\n-1.628679 4.459806 0.303924\n0.365134 1.535071 16.730411\nZn H C O\n1 20 12 4\ndirect\n0.750278 0.952725 0.153803 Zn\n0.172287 0.396382 0.470728 H\n0.042673 0.056819 0.360902 H\n0.259272 0.215904 0.968504 H\n0.137166 0.473058 0.800222 H\n0.507693 0.371868 0.826937 H\n0.415389 0.635224 0.649395 H\n-0.218449 0.534965 0.680854 H\n0.717872 0.841509 0.503423 H\n0.075385 0.729527 0.534438 H\n-0.081297 0.361042 0.963489 H\n0.397253 -0.054620 0.394216 H\n0.344620 0.873463 0.894636 H\n0.725268 0.785494 0.916995 H\n0.577991 0.016669 0.747800 H\n-0.051921 -0.078089 0.778134 H\n0.865647 0.192073 0.609418 H\n0.226088 0.084224 0.639743 H\n0.493034 0.613155 0.327499 H\n0.843558 0.513015 0.367929 H\n0.527923 0.284014 0.502174 H\n0.309820 0.518701 0.052564 C\n0.215349 0.429790 0.969200 C\n0.437043 0.682229 0.900814 C\n0.420749 0.566628 0.819850 C\n0.669608 0.824898 0.755673 C\n0.690088 0.727258 0.673647 C\n0.306660 0.136887 0.389953 C\n-0.012301 -0.076761 0.530172 C\n0.259862 0.202522 0.474595 C\n0.583408 0.421852 0.337273 C\n0.685036 0.367489 0.255967 C\n-0.046705 -0.002026 0.614347 C\n0.213932 0.308859 0.113673 O\n0.859625 0.595984 0.202348 O\n0.603484 0.084829 0.247125 O\n0.498762 0.806418 0.056915 O\n",
"nsites": 37,
"nelements": 4,
"elements": [
"Zn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Zn",
"density": 1.6868001186376123,
"density_atomic": 0.12797391937502292,
"volume": 289.1214098989408,
"volume_molar": 4.705756289570483,
"formula_full": "Zn1 H20 C12 O4",
"formula_reduced": "ZnH20(C3O)4",
"formula_anonymous": "AB4C12D20",
"energy_above_hull": 4.606612551351351,
"spacegroup": 1
},
{
"id": "jvasp-57117",
"created_at": "2022-09-04T14:38:33.389140Z",
"updated_at": "2022-09-04T14:38:33.389168Z",
"structure_string": "Y6 Cu2 Si2 S14\n1.0\n4.944222 -8.563643 -0.000000\n4.944222 8.563643 0.000000\n0.000000 -0.000000 5.685983\nY Cu Si S\n6 2 2 14\ndirect\n0.770874 0.128387 0.743308 Y\n0.229126 0.871612 0.243308 Y\n0.357513 0.229126 0.743308 Y\n0.128387 0.357513 0.243308 Y\n0.642487 0.770874 0.243308 Y\n0.871612 0.642487 0.743308 Y\n0.000000 0.000000 0.703917 Cu\n0.000000 0.000000 0.203917 Cu\n0.333333 0.666667 0.830201 Si\n0.666667 0.333333 0.330201 Si\n0.835167 0.094222 0.219348 S\n0.477443 0.894322 0.980720 S\n0.333333 0.666667 0.458854 S\n0.164833 0.905777 0.719347 S\n0.740945 0.835167 0.719347 S\n0.416879 0.522557 0.980720 S\n0.894322 0.416879 0.480720 S\n0.583121 0.477443 0.480720 S\n0.259054 0.164833 0.219348 S\n0.666667 0.333333 0.958854 S\n0.522557 0.105678 0.480720 S\n0.094222 0.259054 0.719347 S\n0.105678 0.583121 0.980720 S\n0.905777 0.740945 0.219348 S\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Y",
"Cu",
"Si",
"S"
],
"chemical_system": "Cu-S-Si-Y",
"density": 4.019847565411633,
"density_atomic": 0.04984472132137988,
"volume": 481.4953191383515,
"volume_molar": 12.081802446384478,
"formula_full": "Y6 Cu2 Si2 S14",
"formula_reduced": "Y3CuSiS7",
"formula_anonymous": "ABC3D7",
"energy_above_hull": 2.3710571166666665,
"spacegroup": 173
},
{
"id": "jvasp-112181",
"created_at": "2022-09-04T14:38:45.122359Z",
"updated_at": "2022-09-04T14:38:45.122378Z",
"structure_string": "Cd1 H12 C8 O4\n1.0\n3.815931 0.032665 -0.479452\n-0.586659 4.304817 -0.610692\n0.148730 -0.181590 12.703338\nCd H C O\n1 12 8 4\ndirect\n0.043684 0.135006 0.167166 Cd\n0.410122 0.187868 0.517249 H\n0.116132 0.304016 0.897339 H\n0.562353 0.338219 0.949422 H\n0.265969 0.255971 0.709254 H\n0.720373 0.292415 0.753303 H\n0.352763 0.722897 0.620158 H\n0.870600 0.260431 0.556699 H\n0.246543 0.794730 0.815187 H\n0.695090 0.811515 0.864884 H\n0.434383 0.655095 0.424387 H\n0.889778 0.736108 0.465277 H\n0.807819 0.772693 0.665155 H\n0.286611 0.680901 0.025626 C\n0.352729 0.473931 0.925177 C\n0.452309 0.649236 0.835519 C\n0.503355 0.428174 0.734342 C\n0.633800 0.373900 0.539746 C\n0.669926 0.544622 0.444619 C\n0.750521 0.350011 0.343551 C\n0.575684 0.594379 0.640216 C\n0.061837 0.585354 0.084265 O\n0.616390 0.405520 0.251451 O\n0.968241 0.152517 0.348599 O\n0.441646 0.960469 0.049069 O\n",
"nsites": 25,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 2.263823545463599,
"density_atomic": 0.11976078711074764,
"volume": 208.74946301815376,
"volume_molar": 5.028474599478947,
"formula_full": "Cd1 H12 C8 O4",
"formula_reduced": "CdH12(C2O)4",
"formula_anonymous": "AB4C8D12",
"energy_above_hull": 4.42222295,
"spacegroup": 1
},
{
"id": "jvasp-112056",
"created_at": "2022-09-04T14:38:44.058877Z",
"updated_at": "2022-09-04T14:38:44.058905Z",
"structure_string": "H12 C14 S2 N4\n1.0\n5.449074 0.015182 0.030190\n0.200088 7.254472 0.112026\n-0.066141 0.113825 7.771132\nH C S N\n12 14 2 4\ndirect\n0.027897 0.883675 0.372696 H\n0.808202 0.615772 0.581624 H\n0.823142 0.641695 0.899276 H\n0.543280 0.381594 0.906953 H\n0.532446 0.362812 0.591080 H\n0.339718 0.379148 0.360236 H\n0.391187 0.461611 0.135350 H\n0.842917 0.140280 0.893096 H\n0.976902 0.970936 0.138104 H\n0.562253 0.881637 0.933074 H\n0.576559 0.860017 0.613197 H\n0.857314 0.116768 0.573471 H\n0.168929 0.488455 0.564695 C\n0.970260 0.567038 0.652774 C\n0.977825 0.580207 0.831970 C\n0.182838 0.511968 0.924809 C\n0.383379 0.435401 0.835019 C\n0.377085 0.424437 0.658826 C\n0.069336 0.532359 0.243790 C\n0.411772 0.938673 0.853765 C\n0.004315 0.080685 0.830637 C\n0.201327 0.012076 0.932362 C\n0.419426 0.926167 0.674671 C\n0.218081 0.987232 0.574502 C\n0.300635 0.018106 0.253152 C\n0.012406 0.068040 0.653216 C\n0.573726 0.124398 0.253452 S\n0.788788 0.639053 0.241490 S\n0.185977 0.459044 0.387322 N\n0.190711 0.946818 0.396622 N\n0.155903 0.001270 0.111395 N\n0.217786 0.510446 0.103982 N\n",
"nsites": 32,
"nelements": 4,
"elements": [
"H",
"C",
"S",
"N"
],
"chemical_system": "C-H-N-S",
"density": 1.6242365172940965,
"density_atomic": 0.1041951501827614,
"volume": 307.11602165620036,
"volume_molar": 5.779674725202646,
"formula_full": "H12 C14 S2 N4",
"formula_reduced": "H6C7SN2",
"formula_anonymous": "AB2C6D7",
"energy_above_hull": 5.44937478125,
"spacegroup": 1
}
]
}