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=-formula_reduced&page=3803",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=3801",
"results": [
{
"id": "jvasp-99875",
"created_at": "2022-09-04T14:36:34.584956Z",
"updated_at": "2022-09-04T14:36:34.584988Z",
"structure_string": "Ca2 In2 I6\n1.0\n7.804033 -0.012340 -0.000000\n-6.481102 4.347227 0.000000\n0.000000 -0.000000 11.607184\nCa In I\n2 2 6\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.000000 0.500000 Ca\n0.256692 0.743309 0.250000 In\n0.743308 0.256692 0.750000 In\n0.638541 0.361460 0.054126 I\n0.361460 0.638541 0.945874 I\n0.361460 0.638541 0.554126 I\n0.638541 0.361460 0.445874 I\n0.927968 0.072032 0.250000 I\n0.072033 0.927969 0.750000 I\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ca",
"In",
"I"
],
"chemical_system": "Ca-I-In",
"density": 4.527870734868115,
"density_atomic": 0.025454626458003678,
"volume": 392.85589268019714,
"volume_molar": 23.65833484115601,
"formula_full": "Ca2 In2 I6",
"formula_reduced": "CaInI3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 63
},
{
"id": "jvasp-40305",
"created_at": "2022-09-04T14:37:49.403442Z",
"updated_at": "2022-09-04T14:37:49.403455Z",
"structure_string": "Ca1 In1 Hg2\n1.0\n-0.000330 3.681941 3.681941\n3.681941 -0.000330 3.681941\n3.681941 3.681941 -0.000330\nCa In Hg\n1 1 2\ndirect\n0.249999 0.249999 0.249999 Ca\n0.750002 0.750002 0.750002 In\n-0.000011 -0.000011 -0.000011 Hg\n0.500010 0.500010 0.500010 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"In",
"Hg"
],
"chemical_system": "Ca-Hg-In",
"density": 9.248352950774155,
"density_atomic": 0.04006278514949055,
"volume": 99.84328311360213,
"volume_molar": 15.031757621266078,
"formula_full": "Ca1 In1 Hg2",
"formula_reduced": "CaInHg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-56601",
"created_at": "2022-09-04T14:38:34.636418Z",
"updated_at": "2022-09-04T14:38:34.636454Z",
"structure_string": "Ca1 In1 Cu4\n1.0\n4.454300 0.000000 2.571692\n1.484767 4.199555 2.571692\n-0.000000 0.000000 5.143383\nCa In Cu\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Ca\n0.250000 0.250000 0.250000 In\n0.624472 0.126583 0.624471 Cu\n0.624472 0.624471 0.126583 Cu\n0.126584 0.624471 0.624471 Cu\n0.624472 0.624471 0.624471 Cu\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ca",
"In",
"Cu"
],
"chemical_system": "Ca-Cu-In",
"density": 7.060342063723291,
"density_atomic": 0.06236194446492224,
"volume": 96.21252274093088,
"volume_molar": 9.656755913676447,
"formula_full": "Ca1 In1 Cu4",
"formula_reduced": "CaInCu4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-12926",
"created_at": "2022-09-04T14:37:07.044972Z",
"updated_at": "2022-09-04T14:37:07.044996Z",
"structure_string": "Ca2 In2 Br6\n1.0\n4.245547 -0.000000 0.000000\n-2.122773 6.986158 -0.000000\n-0.000000 0.000000 10.868456\nCa In Br\n2 2 6\ndirect\n0.500000 0.000000 0.000000 Ca\n0.500000 0.000000 0.500000 Ca\n0.758867 0.517731 0.750000 In\n0.241135 0.482269 0.250000 In\n0.863668 0.727333 0.451586 Br\n0.136334 0.272668 0.548414 Br\n0.136334 0.272668 0.951586 Br\n0.863668 0.727333 0.048414 Br\n0.433832 0.867662 0.750000 Br\n0.566169 0.132338 0.250000 Br\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ca",
"In",
"Br"
],
"chemical_system": "Br-Ca-In",
"density": 4.065416735680573,
"density_atomic": 0.03102130701707613,
"volume": 322.3590803087489,
"volume_molar": 19.412917568834303,
"formula_full": "Ca2 In2 Br6",
"formula_reduced": "CaInBr3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 63
},
{
"id": "jvasp-41801",
"created_at": "2022-09-04T14:37:32.861724Z",
"updated_at": "2022-09-04T14:37:32.861748Z",
"structure_string": "Ca1 In1 Au2\n1.0\n-0.000000 3.519393 3.519393\n3.519393 0.000000 3.519393\n3.519393 3.519393 -0.000000\nCa In Au\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Ca\n0.749999 0.749999 0.749999 In\n0.500000 0.500000 0.500000 Au\n0.000000 0.000000 0.000000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"In",
"Au"
],
"chemical_system": "Au-Ca-In",
"density": 10.453289173789361,
"density_atomic": 0.04588034743249963,
"volume": 87.18329794439558,
"volume_molar": 13.12575230355422,
"formula_full": "Ca1 In1 Au2",
"formula_reduced": "CaInAu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.1082443924999999,
"spacegroup": 225
},
{
"id": "jvasp-23412",
"created_at": "2022-09-04T14:37:32.368414Z",
"updated_at": "2022-09-04T14:37:32.368444Z",
"structure_string": "Ca4 In4 Au4\n1.0\n4.621424 0.000000 0.000000\n-0.000000 7.328328 0.000000\n0.000000 0.000000 8.543682\nCa In Au\n4 4 4\ndirect\n0.749999 0.973130 0.685501 Ca\n0.250000 0.026871 0.314499 Ca\n0.749999 0.473130 0.814499 Ca\n0.250000 0.526871 0.185501 Ca\n0.749999 0.340114 0.437127 In\n0.250000 0.159886 0.937127 In\n0.250000 0.659887 0.562873 In\n0.749999 0.840114 0.062873 In\n0.250000 0.763672 0.880228 Au\n0.250000 0.263672 0.619772 Au\n0.749999 0.736328 0.380228 Au\n0.749999 0.236328 0.119772 Au\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ca",
"In",
"Au"
],
"chemical_system": "Au-Ca-In",
"density": 8.077116893462383,
"density_atomic": 0.04147204548280372,
"volume": 289.3515345168053,
"volume_molar": 14.520963916518335,
"formula_full": "Ca4 In4 Au4",
"formula_reduced": "CaInAu",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-106938",
"created_at": "2022-09-04T14:36:59.141763Z",
"updated_at": "2022-09-04T14:36:59.141786Z",
"structure_string": "Ca1 In1 Ag2\n1.0\n4.311733 -0.000000 2.489380\n1.437244 4.065140 2.489380\n-0.000000 -0.000000 4.978760\nCa In Ag\n1 1 2\ndirect\n0.499999 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 In\n0.250000 0.250000 0.250000 Ag\n0.749999 0.750000 0.750001 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"In",
"Ag"
],
"chemical_system": "Ag-Ca-In",
"density": 7.05251341551563,
"density_atomic": 0.04583649838999574,
"volume": 87.26670100247097,
"volume_molar": 13.138308927442832,
"formula_full": "Ca1 In1 Ag2",
"formula_reduced": "CaInAg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-23372",
"created_at": "2022-09-04T14:37:35.824314Z",
"updated_at": "2022-09-04T14:37:35.824335Z",
"structure_string": "Ca2 In8 Pd2\n1.0\n4.377666 0.000000 -1.174476\n0.000000 7.606844 -0.000000\n-0.005424 -0.000000 8.725537\nCa In Pd\n2 8 2\ndirect\n0.870550 0.250000 0.741098 Ca\n0.129452 0.750000 0.258902 Ca\n0.682140 0.047332 0.364278 In\n0.317861 0.952668 0.635723 In\n0.317861 0.547331 0.635723 In\n0.682140 0.452668 0.364278 In\n0.063110 0.250000 0.126219 In\n0.936892 0.750000 0.873781 In\n0.500000 0.000000 -0.000000 In\n0.500000 0.500000 -0.000000 In\n0.224992 0.250000 0.449982 Pd\n0.775010 0.750000 0.550019 Pd\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ca",
"In",
"Pd"
],
"chemical_system": "Ca-In-Pd",
"density": 6.925003419603155,
"density_atomic": 0.04130611820071314,
"volume": 290.5138638709658,
"volume_molar": 14.57929484135362,
"formula_full": "Ca2 In8 Pd2",
"formula_reduced": "CaIn4Pd",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 63
},
{
"id": "jvasp-23490",
"created_at": "2022-09-04T14:37:33.932252Z",
"updated_at": "2022-09-04T14:37:33.932266Z",
"structure_string": "Ca2 In8 Ir2\n1.0\n4.279077 0.000000 0.000000\n0.000000 7.558650 -0.000000\n0.000000 0.000000 8.766271\nCa In Ir\n2 8 2\ndirect\n0.000000 0.402818 0.250000 Ca\n0.000000 0.597182 0.750000 Ca\n0.000000 0.000000 0.000000 In\n0.500000 0.316200 0.564105 In\n0.500000 0.072545 0.250000 In\n0.000000 0.000000 0.500000 In\n0.500000 0.927455 0.750000 In\n0.500000 0.316200 0.935895 In\n0.500000 0.683800 0.064105 In\n0.500000 0.683800 0.435895 In\n0.000000 0.803682 0.250000 Ir\n0.000000 0.196318 0.750000 Ir\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ca",
"In",
"Ir"
],
"chemical_system": "Ca-In-Ir",
"density": 8.100356353665317,
"density_atomic": 0.04232256847257668,
"volume": 283.5366669150885,
"volume_molar": 14.229147656532486,
"formula_full": "Ca2 In8 Ir2",
"formula_reduced": "CaIn4Ir",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.3517135666666664,
"spacegroup": 51
},
{
"id": "jvasp-12454",
"created_at": "2022-09-04T14:37:27.985664Z",
"updated_at": "2022-09-04T14:37:27.985685Z",
"structure_string": "Ca2 In4 O8\n1.0\n5.837115 -0.000000 -3.116261\n-1.663679 5.595005 -3.116261\n-0.223511 -0.299643 6.606262\nCa In O\n2 4 8\ndirect\n0.375001 0.625001 0.750001 Ca\n0.625001 0.375000 0.250001 Ca\n0.500001 0.000000 0.500000 In\n0.000000 0.000000 0.000000 In\n0.000000 0.000000 0.500000 In\n0.000000 0.500000 0.000000 In\n0.763520 0.790567 0.527038 O\n0.763530 0.236482 0.972964 O\n0.209435 0.236482 0.972964 O\n0.236482 0.209435 0.472964 O\n0.236482 0.763530 0.472964 O\n0.236471 0.763519 0.027037 O\n0.763520 0.236471 0.527037 O\n0.790566 0.763519 0.027038 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ca",
"In",
"O"
],
"chemical_system": "Ca-In-O",
"density": 5.410191699002891,
"density_atomic": 0.0683424105511069,
"volume": 204.85083694159,
"volume_molar": 8.811718391900449,
"formula_full": "Ca2 In4 O8",
"formula_reduced": "CaIn2O4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.030369194285714,
"spacegroup": 227
},
{
"id": "jvasp-90887",
"created_at": "2022-09-04T14:35:57.336055Z",
"updated_at": "2022-09-04T14:35:57.336088Z",
"structure_string": "Ca2 In4 Ni2\n1.0\n4.320802 0.000000 0.000000\n-2.160401 5.239800 -0.000000\n0.000000 0.000000 7.626813\nCa In Ni\n2 4 2\ndirect\n0.438160 0.876318 0.250000 Ca\n0.561840 0.123682 0.750000 Ca\n0.148313 0.296626 0.448407 In\n0.851687 0.703374 0.551593 In\n0.148313 0.296626 0.051593 In\n0.851687 0.703374 0.948406 In\n0.718332 0.436663 0.250000 Ni\n0.281668 0.563337 0.750000 Ni\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ca",
"In",
"Ni"
],
"chemical_system": "Ca-In-Ni",
"density": 6.316403327328371,
"density_atomic": 0.04633058810154584,
"volume": 172.67210125772343,
"volume_molar": 12.998196238737295,
"formula_full": "Ca2 In4 Ni2",
"formula_reduced": "CaIn2Ni",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 63
},
{
"id": "jvasp-17568",
"created_at": "2022-09-04T14:38:13.740125Z",
"updated_at": "2022-09-04T14:38:13.740155Z",
"structure_string": "Ca2 In4 Cu2\n1.0\n4.448156 0.000000 0.000000\n-2.224078 5.409727 -0.000000\n0.000000 -0.000000 7.497745\nCa In Cu\n2 4 2\ndirect\n0.068374 0.136748 0.750000 Ca\n0.931627 0.863252 0.250000 Ca\n0.358260 0.716519 0.949865 In\n0.641741 0.283481 0.050135 In\n0.641741 0.283481 0.449865 In\n0.358260 0.716519 0.550134 In\n0.785525 0.571049 0.750000 Cu\n0.214476 0.428951 0.250000 Cu\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ca",
"In",
"Cu"
],
"chemical_system": "Ca-Cu-In",
"density": 6.134458859538248,
"density_atomic": 0.04434084468743319,
"volume": 180.4205593374118,
"volume_molar": 13.581475054097826,
"formula_full": "Ca2 In4 Cu2",
"formula_reduced": "CaIn2Cu",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 63
}
]
}