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=4078",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume&page=4076",
"results": [
{
"id": "jvasp-40195",
"created_at": "2022-09-04T14:38:06.154650Z",
"updated_at": "2022-09-04T14:38:06.154659Z",
"structure_string": "Ca4 Sn2 S8\n1.0\n3.972317 0.000000 0.000000\n0.000000 7.093421 -0.000000\n0.000000 -0.000000 11.394775\nCa Sn S\n4 2 8\ndirect\n0.500000 0.405861 0.815573 Ca\n0.500000 0.594138 0.184427 Ca\n0.500000 0.905861 0.684427 Ca\n0.500000 0.094139 0.315573 Ca\n0.000000 0.500000 0.500000 Sn\n0.000000 0.000000 0.000000 Sn\n0.500000 0.261715 0.551640 S\n0.500000 0.738285 0.448360 S\n0.500000 0.761714 0.948360 S\n0.500000 0.238285 0.051640 S\n0.000000 0.126020 0.794197 S\n0.000000 0.873980 0.205803 S\n0.000000 0.626019 0.705804 S\n0.000000 0.373980 0.294197 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ca",
"Sn",
"S"
],
"chemical_system": "Ca-S-Sn",
"density": 3.3836759696102674,
"density_atomic": 0.043603630061765354,
"volume": 321.07418534119154,
"volume_molar": 13.811099560907032,
"formula_full": "Ca4 Sn2 S8",
"formula_reduced": "Ca2SnS4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.9428403628571428,
"spacegroup": 55
},
{
"id": "jvasp-99417",
"created_at": "2022-09-04T14:36:39.265731Z",
"updated_at": "2022-09-04T14:36:39.265748Z",
"structure_string": "Rb2 La1 Ag1 Cl6\n1.0\n6.656393 -0.000000 3.843070\n2.218798 6.275707 3.843070\n-0.000000 -0.000000 7.686140\nRb La Ag Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 La\n0.500000 0.500000 0.500000 Ag\n0.747099 0.252900 0.252900 Cl\n0.252900 0.252900 0.747100 Cl\n0.252900 0.747100 0.747099 Cl\n0.252900 0.747100 0.252900 Cl\n0.747099 0.252900 0.747100 Cl\n0.747100 0.747100 0.252900 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"La",
"Ag",
"Cl"
],
"chemical_system": "Ag-Cl-La-Rb",
"density": 3.2604247661987804,
"density_atomic": 0.03114512620341517,
"volume": 321.077523805425,
"volume_molar": 19.335740432285203,
"formula_full": "Rb2 La1 Ag1 Cl6",
"formula_reduced": "Rb2LaAgCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-117238",
"created_at": "2022-09-04T14:38:43.969086Z",
"updated_at": "2022-09-04T14:38:43.969115Z",
"structure_string": "Ca9 Fe2 N8\n1.0\n8.894027 0.013172 3.264701\n1.355060 4.732055 0.000000\n-0.012030 0.003445 7.627374\nCa Fe N\n9 2 8\ndirect\n0.000000 0.499999 0.500000 Ca\n0.074431 0.962782 0.764999 Ca\n0.925570 0.037215 0.235000 Ca\n0.654012 0.672993 0.449121 Ca\n0.345989 0.327005 0.550878 Ca\n0.822526 0.588736 0.982794 Ca\n0.177475 0.411262 0.017205 Ca\n0.611811 0.194093 0.812565 Ca\n0.388190 0.805904 0.187434 Ca\n0.614178 0.192911 0.200934 Fe\n0.385823 0.807087 0.799065 Fe\n0.216853 0.891573 0.000699 N\n0.783148 0.108426 -0.000699 N\n0.362847 0.818575 0.583295 N\n0.637153 0.181423 0.416705 N\n0.572172 0.713913 0.812997 N\n0.427829 0.286084 0.187002 N\n0.074922 0.462538 0.755355 N\n0.925079 0.537460 0.244644 N\n",
"nsites": 19,
"nelements": 3,
"elements": [
"Ca",
"Fe",
"N"
],
"chemical_system": "Ca-Fe-N",
"density": 3.022609633627915,
"density_atomic": 0.0591755730504371,
"volume": 321.0784284895008,
"volume_molar": 10.176734165070359,
"formula_full": "Ca9 Fe2 N8",
"formula_reduced": "Ca9(FeN4)2",
"formula_anonymous": "A2B8C9",
"energy_above_hull": 2.8824363568421054,
"spacegroup": 12
},
{
"id": "jvasp-55640",
"created_at": "2022-09-04T14:36:59.788860Z",
"updated_at": "2022-09-04T14:36:59.788875Z",
"structure_string": "Bi4 P4 O16\n1.0\n0.000000 6.627068 -0.088282\n6.763853 0.000000 0.000000\n0.000000 -5.103089 -7.095070\nBi P O\n4 4 16\ndirect\n0.702108 0.615602 0.263461 Bi\n0.297892 0.115603 0.236539 Bi\n0.297892 0.384397 0.736539 Bi\n0.702108 0.884397 0.763461 Bi\n0.095144 0.637649 0.221917 P\n0.904856 0.137650 0.278082 P\n0.904856 0.362350 0.778082 P\n0.095144 0.862350 0.721917 P\n0.949024 0.179036 0.904873 O\n0.050976 0.679036 0.595127 O\n0.230182 0.469565 0.195072 O\n0.769818 0.969564 0.304928 O\n0.769818 0.530435 0.804928 O\n0.230182 0.030435 0.695072 O\n0.515127 0.812222 0.438704 O\n0.298643 0.775180 0.934255 O\n0.484873 0.187778 0.561296 O\n0.515127 0.687777 0.938704 O\n0.949024 0.320963 0.404873 O\n0.701357 0.275180 0.565745 O\n0.701357 0.224819 0.065745 O\n0.298643 0.724819 0.434255 O\n0.484873 0.312222 0.061296 O\n0.050976 0.820963 0.095127 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Bi",
"P",
"O"
],
"chemical_system": "Bi-O-P",
"density": 6.2878208335474595,
"density_atomic": 0.07474766765070254,
"volume": 321.0802524588796,
"volume_molar": 8.056626981515455,
"formula_full": "Bi4 P4 O16",
"formula_reduced": "BiPO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.2871939666666674,
"spacegroup": 14
},
{
"id": "jvasp-21041",
"created_at": "2022-09-04T14:38:32.056194Z",
"updated_at": "2022-09-04T14:38:32.056234Z",
"structure_string": "Ca4 Mg4 Sn4\n1.0\n4.681713 0.000000 0.000000\n0.000000 7.826301 0.000000\n0.000000 0.000000 8.763488\nCa Mg Sn\n4 4 4\ndirect\n0.749999 0.480103 0.683537 Ca\n0.749999 0.980103 0.816463 Ca\n0.250000 0.519897 0.316463 Ca\n0.250000 0.019897 0.183537 Ca\n0.749999 0.855560 0.436777 Mg\n0.250000 0.144440 0.563223 Mg\n0.250000 0.644439 0.936777 Mg\n0.749999 0.355560 0.063223 Mg\n0.749999 0.735434 0.116059 Sn\n0.250000 0.264565 0.883941 Sn\n0.749999 0.235435 0.383941 Sn\n0.250000 0.764565 0.616059 Sn\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ca",
"Mg",
"Sn"
],
"chemical_system": "Ca-Mg-Sn",
"density": 3.7874115512647104,
"density_atomic": 0.03737170533933265,
"volume": 321.09853941747593,
"volume_molar": 16.114171685020406,
"formula_full": "Ca4 Mg4 Sn4",
"formula_reduced": "CaMgSn",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-110677",
"created_at": "2022-09-04T14:38:38.085285Z",
"updated_at": "2022-09-04T14:38:38.085297Z",
"structure_string": "K2 In2 Cl6\n1.0\n6.656880 -0.000000 3.843351\n2.218960 6.276166 3.843351\n-0.000000 -0.000000 7.686702\nK In Cl\n2 2 6\ndirect\n0.750000 0.750000 0.749999 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 In\n0.765866 0.234134 0.234133 Cl\n0.234134 0.234134 0.765866 Cl\n0.234134 0.765867 0.765866 Cl\n0.234134 0.765867 0.234133 Cl\n0.765866 0.234134 0.765866 Cl\n0.765866 0.765867 0.234133 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
"K",
"In",
"Cl"
],
"chemical_system": "Cl-In-K",
"density": 2.691577283285623,
"density_atomic": 0.031138293322428064,
"volume": 321.14797996322017,
"volume_molar": 19.339983401281714,
"formula_full": "K2 In2 Cl6",
"formula_reduced": "KInCl3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-28657",
"created_at": "2022-09-04T14:37:08.225474Z",
"updated_at": "2022-09-04T14:37:08.225498Z",
"structure_string": "Te2 Mo2 W2 Se2 S4\n1.0\n3.316053 0.000020 -0.000161\n-1.658010 2.871806 0.000051\n-0.001616 -0.000428 33.723780\nTe Mo W Se S\n2 2 2 2 4\ndirect\n0.333398 0.666770 0.724460 Te\n0.333296 0.666802 0.610228 Te\n0.333225 0.666585 0.089657 Mo\n0.333237 0.666215 0.467337 Mo\n0.666842 0.333726 0.278530 W\n0.666680 0.333449 0.667431 W\n0.333567 0.667077 0.328545 Se\n0.333461 0.667070 0.228519 Se\n0.666480 0.333185 0.044396 S\n0.666538 0.332903 0.422019 S\n0.666616 0.333273 0.135005 S\n0.666650 0.332949 0.512621 S\n",
"nsites": 12,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 5.692439559602821,
"density_atomic": 0.03736516682932832,
"volume": 321.154728274385,
"volume_molar": 16.116991495065818,
"formula_full": "Te2 Mo2 W2 Se2 S4",
"formula_reduced": "TeMoWSeS2",
"formula_anonymous": "ABCDE2",
"energy_above_hull": 3.615922838888888,
"spacegroup": 156
},
{
"id": "jvasp-109471",
"created_at": "2022-09-04T14:38:18.915305Z",
"updated_at": "2022-09-04T14:38:18.915343Z",
"structure_string": "Na3 As1 Br6\n1.0\n6.656936 -0.000000 3.843384\n2.218979 6.276220 3.843384\n-0.000000 -0.000000 7.686768\nNa As Br\n3 1 6\ndirect\n0.750001 0.750000 0.749999 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.499999 Na\n0.000000 0.000000 0.000000 As\n0.756906 0.243094 0.243093 Br\n0.243094 0.243094 0.756906 Br\n0.243094 0.756906 0.756905 Br\n0.243094 0.756906 0.243094 Br\n0.756906 0.243094 0.756905 Br\n0.756906 0.756906 0.243093 Br\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Na",
"As",
"Br"
],
"chemical_system": "As-Br-Na",
"density": 3.2228515221089618,
"density_atomic": 0.031137496115221375,
"volume": 321.1562022519711,
"volume_molar": 19.340478559083984,
"formula_full": "Na3 As1 Br6",
"formula_reduced": "Na3AsBr6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-56835",
"created_at": "2022-09-04T14:37:34.166922Z",
"updated_at": "2022-09-04T14:37:34.166950Z",
"structure_string": "Rb2 U1 Br6\n1.0\n6.657007 -0.000000 3.843425\n2.219003 6.276287 3.843425\n0.000000 -0.000000 7.686850\nRb U Br\n2 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.749999 Rb\n0.000000 0.000000 0.000000 U\n0.254653 0.745347 0.745346 Br\n0.745347 0.254654 0.254653 Br\n0.745347 0.254654 0.745346 Br\n0.254653 0.745347 0.254653 Br\n0.254653 0.254654 0.745346 Br\n0.745347 0.745347 0.254652 Br\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Rb",
"U",
"Br"
],
"chemical_system": "Br-Rb-U",
"density": 4.593268318739683,
"density_atomic": 0.028022849525724126,
"volume": 321.1664820787862,
"volume_molar": 21.490108471916308,
"formula_full": "Rb2 U1 Br6",
"formula_reduced": "Rb2UBr6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.2898700699999999,
"spacegroup": 225
},
{
"id": "jvasp-105678",
"created_at": "2022-09-04T14:36:01.723638Z",
"updated_at": "2022-09-04T14:36:01.723669Z",
"structure_string": "K2 Rb1 Mo1 Cl6\n1.0\n6.657020 0.000000 3.843432\n2.219007 6.276298 3.843432\n0.000000 -0.000000 7.686864\nK Rb Mo Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.499999 Rb\n0.000000 0.000000 0.000000 Mo\n0.775804 0.224196 0.224195 Cl\n0.224196 0.224196 0.775803 Cl\n0.224196 0.775804 0.775803 Cl\n0.224196 0.775804 0.224195 Cl\n0.775804 0.224196 0.775803 Cl\n0.775804 0.775804 0.224195 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Rb",
"Mo",
"Cl"
],
"chemical_system": "Cl-K-Mo-Rb",
"density": 2.4420526621747833,
"density_atomic": 0.031136327390002008,
"volume": 321.1682570890181,
"volume_molar": 19.34120451833935,
"formula_full": "K2 Rb1 Mo1 Cl6",
"formula_reduced": "K2RbMoCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.3017416304999999,
"spacegroup": 225
},
{
"id": "jvasp-22027",
"created_at": "2022-09-04T14:38:14.683727Z",
"updated_at": "2022-09-04T14:38:14.683748Z",
"structure_string": "Mg6 P4 O16\n1.0\n0.000000 5.117886 0.012960\n8.249468 0.000000 0.000000\n0.000000 -4.566525 -7.618615\nMg P O\n6 4 16\ndirect\n0.511048 0.857225 0.607609 Mg\n0.488950 0.357225 0.892390 Mg\n0.488951 0.142775 0.392390 Mg\n0.511049 0.642776 0.107610 Mg\n0.500000 0.500000 0.500000 Mg\n0.500000 0.000000 -0.000000 Mg\n0.160822 0.695293 0.697594 P\n0.839177 0.195293 0.802405 P\n0.160822 0.804708 0.197594 P\n0.839178 0.304707 0.302405 P\n0.814347 0.699103 0.622342 O\n0.236593 0.644841 0.556599 O\n0.763406 0.144841 0.943400 O\n0.763407 0.355159 0.443401 O\n0.236593 0.855159 0.056599 O\n0.185652 0.199103 0.877657 O\n0.315636 0.634987 0.259362 O\n0.694094 0.424809 0.145732 O\n0.684364 0.365013 0.740637 O\n0.315635 0.865013 0.759362 O\n0.305906 0.924810 0.354268 O\n0.814347 0.800897 0.122343 O\n0.694093 0.075191 0.645731 O\n0.305906 0.575191 0.854268 O\n0.684364 0.134987 0.240638 O\n0.185653 0.300897 0.377657 O\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Mg",
"P",
"O"
],
"chemical_system": "Mg-O-P",
"density": 2.7181094870803717,
"density_atomic": 0.0809543999526145,
"volume": 321.1684604569823,
"volume_molar": 7.438929525170929,
"formula_full": "Mg6 P4 O16",
"formula_reduced": "Mg3(PO4)2",
"formula_anonymous": "A2B3C8",
"energy_above_hull": 1.9284966269230768,
"spacegroup": 14
},
{
"id": "jvasp-112583",
"created_at": "2022-09-04T14:38:41.774888Z",
"updated_at": "2022-09-04T14:38:41.774916Z",
"structure_string": "Li2 Er2 S4 O16\n1.0\n7.443968 -0.000000 0.000000\n0.000000 7.443968 0.000000\n-0.000000 -0.000000 5.796162\nLi Er S O\n2 2 4 16\ndirect\n-0.000000 0.500000 0.750000 Li\n0.500000 0.000000 0.250000 Li\n-0.000000 0.500000 0.250000 Er\n0.500000 0.000000 0.750000 Er\n0.775707 0.724294 0.750000 S\n0.224293 0.275707 0.750000 S\n0.724294 0.224293 0.250000 S\n0.275707 0.775707 0.250000 S\n0.709801 0.406958 0.348393 O\n0.290199 0.593042 0.348393 O\n0.093042 0.790199 0.151607 O\n0.906958 0.209801 0.151607 O\n0.406958 0.290199 0.651606 O\n0.593042 0.709801 0.651606 O\n0.186673 0.414887 0.933746 O\n0.414887 0.813327 0.066253 O\n0.313327 0.914888 0.433747 O\n0.686673 0.085113 0.433747 O\n0.209801 0.093042 0.848393 O\n0.585113 0.186673 0.066253 O\n0.085113 0.313327 0.566253 O\n0.914888 0.686673 0.566253 O\n0.813327 0.585113 0.933746 O\n0.790199 0.906958 0.848393 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Er",
"S",
"O"
],
"chemical_system": "Er-Li-O-S",
"density": 3.787881448438368,
"density_atomic": 0.07472427866574807,
"volume": 321.1807518056519,
"volume_molar": 8.05914873656775,
"formula_full": "Li2 Er2 S4 O16",
"formula_reduced": "LiEr(SO4)2",
"formula_anonymous": "ABC2D8",
"energy_above_hull": 2.386877333333333,
"spacegroup": 118
}
]
}