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=density&page=377",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density&page=375",
"results": [
{
"id": "jvasp-107390",
"created_at": "2022-09-04T14:36:50.272102Z",
"updated_at": "2022-09-04T14:36:50.272112Z",
"structure_string": "Na3 V1 O4\n1.0\n4.555108 0.026459 -3.795412\n-0.982946 4.447867 -3.795412\n-0.021124 -0.026459 5.929056\nNa V O\n3 1 4\ndirect\n0.500000 0.500000 0.000001 Na\n0.750001 0.250000 0.500001 Na\n0.250000 0.750000 0.500001 Na\n0.000000 0.000000 0.000000 V\n0.694237 0.096266 0.000001 O\n0.305764 0.305763 0.402030 O\n0.903735 0.903735 0.597973 O\n0.096265 0.694237 0.000000 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Na",
"V",
"O"
],
"chemical_system": "Na-O-V",
"density": 2.55833873692272,
"density_atomic": 0.06701890869171019,
"volume": 119.36929675773054,
"volume_molar": 8.985733843715812,
"formula_full": "Na3 V1 O4",
"formula_reduced": "Na3VO4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 1.4391819,
"spacegroup": 121
},
{
"id": "jvasp-107219",
"created_at": "2022-09-04T14:37:00.697237Z",
"updated_at": "2022-09-04T14:37:00.697264Z",
"structure_string": "Sr3 Ca1\n1.0\n5.814937 -0.000000 0.000000\n0.000000 5.814937 0.000000\n0.000000 -0.000000 5.814937\nSr Ca\n3 1\ndirect\n-0.000000 0.500000 0.500000 Sr\n0.500000 0.000000 0.500000 Sr\n0.500000 0.500000 -0.000000 Sr\n0.000000 0.000000 0.000000 Ca\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sr",
"Ca"
],
"chemical_system": "Ca-Sr",
"density": 2.558396249372458,
"density_atomic": 0.020343466107126004,
"volume": 196.6233275557139,
"volume_molar": 29.602333881002394,
"formula_full": "Sr3 Ca1",
"formula_reduced": "Sr3Ca",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 221
},
{
"id": "jvasp-91899",
"created_at": "2022-09-04T14:35:46.086517Z",
"updated_at": "2022-09-04T14:35:46.086542Z",
"structure_string": "Mg7 Nb1\n1.0\n6.304156 -0.000000 -0.000000\n-3.152077 5.459559 0.000000\n-0.000000 0.000000 4.960253\nMg Nb\n7 1\ndirect\n0.169785 0.834892 0.250000 Mg\n0.665108 0.330215 0.250000 Mg\n0.665108 0.834892 0.250000 Mg\n0.325403 0.174597 0.750000 Mg\n0.325403 0.650807 0.750000 Mg\n0.849194 0.174597 0.750000 Mg\n0.833333 0.666667 0.750000 Mg\n0.166667 0.333333 0.250000 Nb\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mg",
"Nb"
],
"chemical_system": "Mg-Nb",
"density": 2.558496505865191,
"density_atomic": 0.04685993085228762,
"volume": 170.72154940257352,
"volume_molar": 12.851365015844896,
"formula_full": "Mg7 Nb1",
"formula_reduced": "Mg7Nb",
"formula_anonymous": "AB7",
"energy_above_hull": 0.0,
"spacegroup": 187
},
{
"id": "jvasp-3702",
"created_at": "2022-09-04T14:35:41.744958Z",
"updated_at": "2022-09-04T14:35:41.744985Z",
"structure_string": "Ca2 H2 Cl2\n1.0\n3.811296 0.000000 0.000000\n0.000000 3.811296 0.000000\n0.000000 0.000000 6.839451\nCa H Cl\n2 2 2\ndirect\n0.000000 0.500001 0.806440 Ca\n0.500001 0.000000 0.193560 Ca\n0.500001 0.500001 0.000000 H\n0.000000 0.000000 0.000000 H\n0.500001 0.000000 0.650698 Cl\n0.000000 0.500001 0.349302 Cl\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ca",
"H",
"Cl"
],
"chemical_system": "Ca-Cl-H",
"density": 2.5585560521969537,
"density_atomic": 0.06039272830537488,
"volume": 99.34970928389085,
"volume_molar": 9.971632229544491,
"formula_full": "Ca2 H2 Cl2",
"formula_reduced": "CaHCl",
"formula_anonymous": "ABC",
"energy_above_hull": 0.1080814958333332,
"spacegroup": 129
},
{
"id": "jvasp-12573",
"created_at": "2022-09-04T14:37:00.636424Z",
"updated_at": "2022-09-04T14:37:00.636438Z",
"structure_string": "Cu2 H8 Cl4 O4\n1.0\n3.777320 0.000000 0.000000\n-0.000000 7.341678 0.000000\n0.000000 0.000000 7.978850\nCu H Cl O\n2 8 4 4\ndirect\n0.000000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.136984 0.085689 0.314076 H\n0.863016 0.914312 0.685924 H\n0.136984 0.414311 0.185924 H\n0.863016 0.585689 0.814076 H\n0.863016 0.914312 0.314076 H\n0.136984 0.414311 0.814076 H\n0.136984 0.085689 0.685924 H\n0.863016 0.585689 0.185924 H\n0.619941 0.747421 0.500000 Cl\n0.380059 0.247421 0.000000 Cl\n0.380059 0.252580 0.500000 Cl\n0.619941 0.752580 0.000000 Cl\n0.000000 0.500000 0.743001 O\n0.000000 0.000000 0.756999 O\n0.000000 0.500000 0.256999 O\n0.000000 0.000000 0.243001 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Cu",
"H",
"Cl",
"O"
],
"chemical_system": "Cl-Cu-H-O",
"density": 2.5588194303585623,
"density_atomic": 0.08134916389647567,
"volume": 221.2684081536064,
"volume_molar": 7.4028305535674965,
"formula_full": "Cu2 H8 Cl4 O4",
"formula_reduced": "CuH4(ClO)2",
"formula_anonymous": "AB2C2D4",
"energy_above_hull": 1.8654117316666663,
"spacegroup": 53
},
{
"id": "jvasp-112147",
"created_at": "2022-09-04T14:38:45.557553Z",
"updated_at": "2022-09-04T14:38:45.557585Z",
"structure_string": "Zr1 H6 C5 O4\n1.0\n3.450793 -0.032825 -0.138415\n-0.724061 4.595996 -1.250929\n0.218840 -0.152503 9.101403\nZr H C O\n1 6 5 4\ndirect\n0.171490 0.207740 0.278680 Zr\n0.756404 0.355739 0.968276 H\n0.223257 0.304529 0.910165 H\n0.905151 0.857752 0.687332 H\n0.451662 0.923733 0.745754 H\n0.602645 0.434409 0.705224 H\n0.070030 0.369048 0.652372 H\n0.521427 0.864692 0.507561 C\n0.677765 0.985616 0.670346 C\n0.132046 0.739920 0.942272 C\n0.833835 0.312316 0.722878 C\n0.977105 0.416223 0.892260 C\n0.599060 0.017246 0.409716 O\n0.304967 0.616076 0.467069 O\n0.107641 0.859998 0.085289 O\n0.700256 0.343289 0.217093 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Zr",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Zr",
"density": 2.5592078521343393,
"density_atomic": 0.11141672961378508,
"volume": 143.60500488088633,
"volume_molar": 5.4050597077074025,
"formula_full": "Zr1 H6 C5 O4",
"formula_reduced": "ZrH6C5O4",
"formula_anonymous": "AB4C5D6",
"energy_above_hull": 4.596922406249999,
"spacegroup": 1
},
{
"id": "jvasp-95620",
"created_at": "2022-09-04T14:36:32.920553Z",
"updated_at": "2022-09-04T14:36:32.920570Z",
"structure_string": "Ca4 B12 H12 O28\n1.0\n8.199771 0.000000 -1.236772\n0.000000 8.177493 0.000000\n-0.017415 0.000000 7.260386\nCa B H O\n4 12 12 28\ndirect\n0.388577 0.293375 0.076107 Ca\n0.111423 0.793375 0.923894 Ca\n0.611423 0.706625 0.923894 Ca\n0.888577 0.206625 0.076107 Ca\n0.213377 0.190594 0.482769 B\n0.286623 0.690594 0.517231 B\n0.786623 0.809405 0.517232 B\n0.713377 0.309405 0.482769 B\n0.109702 0.148088 0.778793 B\n0.390298 0.648088 0.221208 B\n0.609702 0.351911 0.778793 B\n0.667152 0.038953 0.310458 B\n0.832847 0.538953 0.689543 B\n0.332847 0.961047 0.689543 B\n0.167152 0.461047 0.310458 B\n0.890298 0.851911 0.221208 B\n0.875018 0.048302 0.686078 H\n0.922152 0.612847 0.135521 H\n0.422152 0.887153 0.135521 H\n0.077848 0.387153 0.864480 H\n0.624981 0.548302 0.313923 H\n0.577847 0.112847 0.864480 H\n0.375018 0.451698 0.686078 H\n0.427797 0.045124 0.353359 H\n0.072202 0.545124 0.646642 H\n0.572202 0.954875 0.646642 H\n0.927797 0.454876 0.353359 H\n0.124981 0.951697 0.313923 H\n0.490089 0.052485 0.244669 O\n0.459096 0.454255 0.797037 O\n0.040904 0.954255 0.202964 O\n0.540904 0.545745 0.202964 O\n0.959096 0.045745 0.797037 O\n0.899624 0.777100 0.404051 O\n0.009910 0.552485 0.755331 O\n0.399624 0.722899 0.404051 O\n0.100375 0.222899 0.595949 O\n0.804350 0.451675 0.507557 O\n0.695649 0.951675 0.492444 O\n0.600375 0.277101 0.595950 O\n0.509910 0.947515 0.755331 O\n0.762239 0.708237 0.662311 O\n0.737760 0.208237 0.337690 O\n0.262239 0.791762 0.662311 O\n0.237760 0.291763 0.337689 O\n0.254155 0.044840 0.830481 O\n0.245844 0.544840 0.169520 O\n0.745844 0.955159 0.169520 O\n0.754155 0.455159 0.830481 O\n0.616199 0.221664 0.922517 O\n0.883800 0.721663 0.077484 O\n0.383800 0.778336 0.077483 O\n0.116199 0.278336 0.922517 O\n0.195649 0.548324 0.492444 O\n0.990089 0.447515 0.244669 O\n0.304350 0.048324 0.507557 O\n",
"nsites": 56,
"nelements": 4,
"elements": [
"Ca",
"B",
"H",
"O"
],
"chemical_system": "B-Ca-H-O",
"density": 2.5595098949916673,
"density_atomic": 0.11507038379871519,
"volume": 486.65867055729126,
"volume_molar": 5.23344110030442,
"formula_full": "Ca4 B12 H12 O28",
"formula_reduced": "CaB3H3O7",
"formula_anonymous": "AB3C3D7",
"energy_above_hull": 3.156242333571429,
"spacegroup": 14
},
{
"id": "jvasp-100889",
"created_at": "2022-09-04T14:37:01.516735Z",
"updated_at": "2022-09-04T14:37:01.516758Z",
"structure_string": "K3 Bi1 Cl6\n1.0\n6.848467 -0.000000 3.953965\n2.282822 6.456797 3.953965\n-0.000000 -0.000000 7.907929\nK Bi Cl\n3 1 6\ndirect\n0.750000 0.750000 0.749999 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.499999 K\n0.000000 0.000000 0.000000 Bi\n0.758838 0.241162 0.241161 Cl\n0.241162 0.241162 0.758838 Cl\n0.241161 0.758839 0.758838 Cl\n0.241161 0.758839 0.241161 Cl\n0.758838 0.241162 0.758838 Cl\n0.758838 0.758839 0.241161 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
"K",
"Bi",
"Cl"
],
"chemical_system": "Bi-Cl-K",
"density": 2.559523980144564,
"density_atomic": 0.02859741242117981,
"volume": 349.6819870525699,
"volume_molar": 21.05834147267074,
"formula_full": "K3 Bi1 Cl6",
"formula_reduced": "K3BiCl6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-12818",
"created_at": "2022-09-04T14:38:30.737883Z",
"updated_at": "2022-09-04T14:38:30.737909Z",
"structure_string": "Na10 In2 S8\n1.0\n0.000000 6.753059 0.010904\n8.804099 0.000000 0.000000\n0.000000 -0.104222 -7.813312\nNa In S\n10 2 8\ndirect\n0.343197 0.481062 0.335106 Na\n0.000000 0.000000 0.000000 Na\n0.669204 0.250000 0.162050 Na\n0.330797 0.750000 0.837950 Na\n0.976640 0.250000 0.523102 Na\n0.000000 0.500000 0.000000 Na\n0.343197 0.018938 0.335106 Na\n0.656803 0.518938 0.664894 Na\n0.656803 0.981062 0.664894 Na\n0.023361 0.750000 0.476898 Na\n0.639130 0.750000 0.175136 In\n0.360870 0.250000 0.824864 In\n0.763104 0.750000 0.875503 S\n0.768747 0.982227 0.328332 S\n0.231253 0.482227 0.671668 S\n0.231253 0.017774 0.671668 S\n0.768747 0.517774 0.328332 S\n0.267286 0.750000 0.178049 S\n0.732714 0.250000 0.821951 S\n0.236896 0.250000 0.124497 S\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Na",
"In",
"S"
],
"chemical_system": "In-Na-S",
"density": 2.5596666611778023,
"density_atomic": 0.043054516979984025,
"volume": 464.52733424690297,
"volume_molar": 13.98724496851209,
"formula_full": "Na10 In2 S8",
"formula_reduced": "Na5InS4",
"formula_anonymous": "AB4C5",
"energy_above_hull": 0.3116914970000001,
"spacegroup": 11
},
{
"id": "jvasp-58992",
"created_at": "2022-09-04T14:37:02.822009Z",
"updated_at": "2022-09-04T14:37:02.822036Z",
"structure_string": "Na10 In2 S8\n1.0\n0.000000 6.753059 0.010904\n8.804099 0.000000 0.000000\n0.000000 -0.104222 -7.813312\nNa In S\n10 2 8\ndirect\n0.343197 0.481062 0.335106 Na\n0.000000 0.000000 0.000000 Na\n0.669204 0.250000 0.162050 Na\n0.330797 0.750000 0.837950 Na\n0.976640 0.250000 0.523102 Na\n0.000000 0.500000 0.000000 Na\n0.343197 0.018938 0.335106 Na\n0.656803 0.518938 0.664894 Na\n0.656803 0.981062 0.664894 Na\n0.023361 0.750000 0.476898 Na\n0.639130 0.750000 0.175136 In\n0.360870 0.250000 0.824864 In\n0.763104 0.750000 0.875503 S\n0.768747 0.982227 0.328332 S\n0.231253 0.482227 0.671668 S\n0.231253 0.017774 0.671668 S\n0.768747 0.517774 0.328332 S\n0.267286 0.750000 0.178049 S\n0.732714 0.250000 0.821951 S\n0.236896 0.250000 0.124497 S\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Na",
"In",
"S"
],
"chemical_system": "In-Na-S",
"density": 2.5596666611778023,
"density_atomic": 0.043054516979984025,
"volume": 464.52733424690297,
"volume_molar": 13.98724496851209,
"formula_full": "Na10 In2 S8",
"formula_reduced": "Na5InS4",
"formula_anonymous": "AB4C5",
"energy_above_hull": 0.3116914970000001,
"spacegroup": 11
},
{
"id": "jvasp-72918",
"created_at": "2022-09-04T14:35:57.562163Z",
"updated_at": "2022-09-04T14:35:57.562189Z",
"structure_string": "Mg1 Be2 Br1\n1.0\n3.562509 -0.000000 -0.000000\n0.000000 3.562509 -0.000000\n0.000000 0.000000 6.247494\nMg Be Br\n1 2 1\ndirect\n0.000000 0.000000 0.500000 Mg\n0.000000 0.500000 0.000000 Be\n0.500000 0.000000 0.000000 Be\n0.500000 0.500000 0.500000 Br\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Be",
"Br"
],
"chemical_system": "Be-Br-Mg",
"density": 2.5598886429716687,
"density_atomic": 0.050447796702144984,
"volume": 79.2898850194963,
"volume_molar": 11.937371210790552,
"formula_full": "Mg1 Be2 Br1",
"formula_reduced": "MgBe2Br",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.83833383875,
"spacegroup": 123
},
{
"id": "jvasp-45973",
"created_at": "2022-09-04T14:38:03.810225Z",
"updated_at": "2022-09-04T14:38:03.810250Z",
"structure_string": "Li5 Sb1 S4\n1.0\n0.000000 3.893351 0.000000\n-7.480875 1.946676 0.916399\n-2.600170 0.000000 6.659418\nLi Sb S\n5 1 4\ndirect\n0.178878 0.642244 0.969889 Li\n0.178879 0.642245 0.387794 Li\n0.821122 0.357755 0.612206 Li\n0.821124 0.357755 0.030111 Li\n0.500000 -0.000000 0.500000 Li\n0.500000 0.000000 0.000000 Sb\n-0.000001 0.000002 0.271583 S\n0.713841 0.572318 0.213838 S\n0.286160 0.427681 0.786163 S\n0.000001 -0.000002 0.728418 S\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Li",
"Sb",
"S"
],
"chemical_system": "Li-S-Sb",
"density": 2.560046399403042,
"density_atomic": 0.05414684265401376,
"volume": 184.682975217923,
"volume_molar": 11.121868727379242,
"formula_full": "Li5 Sb1 S4",
"formula_reduced": "Li5SbS4",
"formula_anonymous": "AB4C5",
"energy_above_hull": 1.40261561,
"spacegroup": 71
}
]
}