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=3507",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=3505",
"results": [
{
"id": "jvasp-106929",
"created_at": "2022-09-04T14:36:53.279994Z",
"updated_at": "2022-09-04T14:36:53.280022Z",
"structure_string": "Cu3 N1 F3\n1.0\n4.196585 -0.000000 0.000000\n0.000000 4.196585 0.000000\n-0.000000 -0.000000 4.196585\nCu N F\n3 1 3\ndirect\n0.500001 0.000000 0.500001 Cu\n0.500001 0.500001 -0.000000 Cu\n-0.000000 0.500001 0.500001 Cu\n0.500001 0.500001 0.500001 N\n-0.000000 0.500001 -0.000000 F\n0.000000 0.000000 0.500001 F\n0.500001 0.000000 -0.000000 F\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Cu",
"N",
"F"
],
"chemical_system": "Cu-F-N",
"density": 5.878479606885302,
"density_atomic": 0.09471308180646386,
"volume": 73.9074251042085,
"volume_molar": 6.358298816952876,
"formula_full": "Cu3 N1 F3",
"formula_reduced": "Cu3NF3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 0.4498350639285713,
"spacegroup": 221
},
{
"id": "jvasp-7896",
"created_at": "2022-09-04T14:37:02.703135Z",
"updated_at": "2022-09-04T14:37:02.703145Z",
"structure_string": "Cu3 N1\n1.0\n3.832385 0.000000 0.000000\n-0.000000 3.832385 0.000000\n-0.000000 -0.000000 3.832385\nCu N\n3 1\ndirect\n0.000000 0.000000 0.500001 Cu\n0.000000 0.500001 0.000000 Cu\n0.500001 0.000000 0.000000 Cu\n0.000000 0.000000 0.000000 N\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cu",
"N"
],
"chemical_system": "Cu-N",
"density": 6.037292313248508,
"density_atomic": 0.07106448226064564,
"volume": 56.28690835077166,
"volume_molar": 8.47419212583916,
"formula_full": "Cu3 N1",
"formula_reduced": "Cu3N",
"formula_anonymous": "AB3",
"energy_above_hull": 1.02827615,
"spacegroup": 221
},
{
"id": "jvasp-17243",
"created_at": "2022-09-04T14:37:58.135011Z",
"updated_at": "2022-09-04T14:37:58.135038Z",
"structure_string": "Cu3 N1\n1.0\n3.502940 -0.000000 -0.000000\n0.000000 3.502940 -0.000000\n-0.000000 -0.000000 3.502940\nCu N\n3 1\ndirect\n0.500000 0.500000 0.000000 Cu\n0.500000 0.000000 0.500000 Cu\n0.000000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 N\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cu",
"N"
],
"chemical_system": "Cu-N",
"density": 7.9059033951487505,
"density_atomic": 0.09305975301974756,
"volume": 42.98313578321219,
"volume_molar": 6.471262349817417,
"formula_full": "Cu3 N1",
"formula_reduced": "Cu3N",
"formula_anonymous": "AB3",
"energy_above_hull": 1.17704865,
"spacegroup": 221
},
{
"id": "jvasp-90799",
"created_at": "2022-09-04T14:36:08.964789Z",
"updated_at": "2022-09-04T14:36:08.964814Z",
"structure_string": "Cu6 N2\n1.0\n3.714725 0.000000 -0.000000\n0.000000 3.714725 0.000000\n0.000000 0.000000 7.413749\nCu N\n6 2\ndirect\n0.000000 0.000000 0.762267 Cu\n0.000000 0.000000 0.237733 Cu\n0.000000 0.500001 0.500000 Cu\n0.500001 0.000000 0.500000 Cu\n0.500001 0.500001 0.831976 Cu\n0.500001 0.500001 0.168024 Cu\n0.000000 0.000000 0.000000 N\n0.000000 0.000000 0.500000 N\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Cu",
"N"
],
"chemical_system": "Cu-N",
"density": 6.643369052016415,
"density_atomic": 0.0781985628080205,
"volume": 102.30367046054552,
"volume_molar": 7.701088797225739,
"formula_full": "Cu6 N2",
"formula_reduced": "Cu3N",
"formula_anonymous": "AB3",
"energy_above_hull": 1.11111865,
"spacegroup": 123
},
{
"id": "jvasp-40985",
"created_at": "2022-09-04T14:38:35.958617Z",
"updated_at": "2022-09-04T14:38:35.958645Z",
"structure_string": "Cu3 Mo2 H2 O10\n1.0\n5.384636 -0.014453 -0.005247\n-0.738068 5.578235 0.000224\n-2.155794 -2.031258 6.971798\nCu Mo H O\n3 2 2 10\ndirect\n0.227664 0.088544 0.191242 Cu\n0.772337 0.911456 0.808757 Cu\n-0.000000 0.500000 -0.000000 Cu\n0.682051 0.724223 0.307636 Mo\n0.317950 0.275778 0.692363 Mo\n0.767214 0.172458 0.136771 H\n0.232786 0.827543 0.863228 H\n0.029679 0.295622 0.765732 O\n0.427730 0.997520 0.732233 O\n0.769622 0.739134 0.554125 O\n0.230379 0.260866 0.445874 O\n0.429179 0.459437 0.168626 O\n0.970321 0.704379 0.234268 O\n0.570822 0.540564 0.831373 O\n0.888486 0.177715 0.059865 O\n0.572271 0.002481 0.267766 O\n0.111514 0.822286 0.940135 O\n",
"nsites": 17,
"nelements": 4,
"elements": [
"Cu",
"Mo",
"H",
"O"
],
"chemical_system": "Cu-H-Mo-O",
"density": 4.320834976221787,
"density_atomic": 0.08123578528633423,
"volume": 209.26738062640234,
"volume_molar": 7.413162485933482,
"formula_full": "Cu3 Mo2 H2 O10",
"formula_reduced": "Cu3Mo2(HO5)2",
"formula_anonymous": "A2B2C3D10",
"energy_above_hull": 2.8622316558823524,
"spacegroup": 2
},
{
"id": "jvasp-98020",
"created_at": "2022-09-04T14:35:42.140105Z",
"updated_at": "2022-09-04T14:35:42.140123Z",
"structure_string": "Cu6 H4 C4 O16\n1.0\n4.930183 0.000000 -0.135691\n0.000000 5.872879 0.000000\n0.163218 0.000000 10.505212\nCu H C O\n6 4 4 16\ndirect\n0.000000 0.000000 0.000000 Cu\n0.752005 0.001940 0.415292 Cu\n0.247995 0.501940 0.084708 Cu\n0.247995 -0.001940 0.584708 Cu\n0.752005 0.498060 0.915292 Cu\n0.000000 0.500000 0.500000 Cu\n0.198799 0.700621 0.871233 H\n0.801201 0.200621 0.628767 H\n0.801201 0.299380 0.128767 H\n0.198798 0.799380 0.371233 H\n0.666565 0.806048 0.184251 C\n0.333435 0.193952 0.815749 C\n0.666565 0.693952 0.684251 C\n0.333434 0.306048 0.315749 C\n0.560975 0.797077 0.296018 O\n0.439025 0.297077 0.203982 O\n0.454283 0.280617 0.914476 O\n0.545717 0.780617 0.585524 O\n0.545716 0.719383 0.085524 O\n0.454283 0.219383 0.414476 O\n0.899732 0.593884 0.671056 O\n0.899732 0.906117 0.171056 O\n0.076953 0.689125 0.945319 O\n0.923047 0.189125 0.554681 O\n0.923047 0.310875 0.054681 O\n0.076953 0.810875 0.445319 O\n0.439025 0.202923 0.703982 O\n0.560975 0.702923 0.796018 O\n0.100268 0.093883 0.828944 O\n0.100267 0.406117 0.328944 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Cu",
"H",
"C",
"O"
],
"chemical_system": "C-Cu-H-O",
"density": 3.7616518464673985,
"density_atomic": 0.0985863233081451,
"volume": 304.3018442449758,
"volume_molar": 6.1084951319028,
"formula_full": "Cu6 H4 C4 O16",
"formula_reduced": "Cu3H2(CO4)2",
"formula_anonymous": "A2B2C3D8",
"energy_above_hull": 2.848847956666667,
"spacegroup": 14
},
{
"id": "jvasp-11289",
"created_at": "2022-09-04T14:37:30.922188Z",
"updated_at": "2022-09-04T14:37:30.922218Z",
"structure_string": "Cu3 Ge4 O12\n1.0\n5.899741 -0.000146 -2.085817\n-2.950028 5.109357 -2.085905\n0.000095 0.000057 6.257718\nCu Ge O\n3 4 12\ndirect\n0.500000 0.500000 -0.000000 Cu\n-0.000000 0.500001 0.500001 Cu\n0.499999 0.000000 0.500000 Cu\n0.499999 0.500001 0.500000 Ge\n-0.000000 0.500000 0.000000 Ge\n-0.000000 0.000001 0.500000 Ge\n0.500000 -0.000000 -0.000000 Ge\n0.687054 0.503988 0.816933 O\n0.183069 0.312945 0.496015 O\n0.503982 0.816932 0.687053 O\n0.687055 0.870123 0.183068 O\n0.129878 0.816932 0.312948 O\n0.816930 0.687056 0.503985 O\n0.312944 0.496013 0.183067 O\n0.870121 0.183069 0.687052 O\n0.183068 0.687057 0.870126 O\n0.816931 0.312944 0.129874 O\n0.496016 0.183069 0.312948 O\n0.312944 0.129877 0.816933 O\n",
"nsites": 19,
"nelements": 3,
"elements": [
"Cu",
"Ge",
"O"
],
"chemical_system": "Cu-Ge-O",
"density": 5.926162257801849,
"density_atomic": 0.10072560151043199,
"volume": 188.63128852134182,
"volume_molar": 5.978758795872068,
"formula_full": "Cu3 Ge4 O12",
"formula_reduced": "Cu3(GeO3)4",
"formula_anonymous": "A3B4C12",
"energy_above_hull": 1.9815851131578943,
"spacegroup": 204
},
{
"id": "jvasp-109946",
"created_at": "2022-09-04T14:38:18.317696Z",
"updated_at": "2022-09-04T14:38:18.317718Z",
"structure_string": "Cu6 Ge2\n1.0\n5.297147 0.000000 0.000000\n-2.648573 4.587464 0.000000\n0.000000 0.000000 4.223344\nCu Ge\n6 2\ndirect\n0.163924 0.327849 0.250000 Cu\n0.672151 0.836075 0.250000 Cu\n0.163924 0.836075 0.250000 Cu\n0.836077 0.672150 0.749999 Cu\n0.327849 0.163924 0.749999 Cu\n0.836076 0.163924 0.749999 Cu\n0.333334 0.666666 0.749999 Ge\n0.666667 0.333333 0.250000 Ge\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Cu",
"Ge"
],
"chemical_system": "Cu-Ge",
"density": 8.519664876066615,
"density_atomic": 0.0779504875142345,
"volume": 102.62924909275421,
"volume_molar": 7.725597301620852,
"formula_full": "Cu6 Ge2",
"formula_reduced": "Cu3Ge",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-100006",
"created_at": "2022-09-04T14:36:32.192845Z",
"updated_at": "2022-09-04T14:36:32.192881Z",
"structure_string": "Cu3 Ge1\n1.0\n2.747934 0.000000 0.000000\n-1.373967 2.379780 -0.000000\n-0.000000 -0.000000 8.330493\nCu Ge\n3 1\ndirect\n0.333332 0.666667 0.500000 Cu\n0.000000 0.000000 0.739609 Cu\n0.000000 0.000000 0.260391 Cu\n0.333332 0.666667 0.000000 Ge\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cu",
"Ge"
],
"chemical_system": "Cu-Ge",
"density": 8.025088969987614,
"density_atomic": 0.07342537607470434,
"volume": 54.47707882259024,
"volume_molar": 8.201715921581338,
"formula_full": "Cu3 Ge1",
"formula_reduced": "Cu3Ge",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0372975,
"spacegroup": 187
},
{
"id": "jvasp-17483",
"created_at": "2022-09-04T14:37:34.769258Z",
"updated_at": "2022-09-04T14:37:34.769276Z",
"structure_string": "Cu6 Ge2\n1.0\n4.245657 0.000000 0.000000\n0.000000 4.615224 0.000000\n0.000000 0.000000 5.327187\nCu Ge\n6 2\ndirect\n0.000000 0.168527 0.500000 Cu\n0.500000 0.831472 0.000000 Cu\n0.500000 0.337204 0.248491 Cu\n0.500000 0.337204 0.751510 Cu\n0.000000 0.662795 0.251509 Cu\n0.000000 0.662795 0.748491 Cu\n0.500000 0.828190 0.500000 Ge\n0.000000 0.171809 0.000000 Ge\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Cu",
"Ge"
],
"chemical_system": "Cu-Ge",
"density": 8.376412024944894,
"density_atomic": 0.07663979868489904,
"volume": 104.3844078047703,
"volume_molar": 7.857719961869616,
"formula_full": "Cu6 Ge2",
"formula_reduced": "Cu3Ge",
"formula_anonymous": "AB3",
"energy_above_hull": 0.003035,
"spacegroup": 59
},
{
"id": "jvasp-116958",
"created_at": "2022-09-04T14:38:47.461783Z",
"updated_at": "2022-09-04T14:38:47.461799Z",
"structure_string": "Cu6 C4 O16\n1.0\n5.592391 -0.000000 0.000000\n0.000000 4.935289 0.394296\n-0.000000 -0.068358 10.538568\nCu C O\n6 4 16\ndirect\n0.500000 -0.000000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.004702 0.758046 0.583694 Cu\n0.504702 0.241953 0.916306 Cu\n0.995297 0.241953 0.416306 Cu\n0.495297 0.758047 0.083694 Cu\n0.687385 0.675130 0.318838 C\n0.187385 0.324870 0.181162 C\n0.812615 0.675129 0.818839 C\n0.312615 0.324870 0.681162 C\n0.725516 0.535143 0.916921 O\n0.295702 0.410938 0.793153 O\n0.795701 0.589062 0.706848 O\n0.774484 0.535143 0.416921 O\n0.274484 0.464857 0.083079 O\n0.225516 0.464856 0.583079 O\n0.580676 0.903204 0.333821 O\n0.683699 0.061296 0.044732 O\n0.419324 0.096796 0.666179 O\n0.919324 0.903204 0.833821 O\n0.183700 0.938704 0.455269 O\n0.204298 0.410938 0.293153 O\n0.816300 0.061296 0.544732 O\n0.316300 0.938703 0.955269 O\n0.080676 0.096796 0.166179 O\n0.704298 0.589062 0.206848 O\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Cu",
"C",
"O"
],
"chemical_system": "C-Cu-O",
"density": 3.91037976271778,
"density_atomic": 0.08934219640875624,
"volume": 291.0159034040918,
"volume_molar": 6.7405335911461695,
"formula_full": "Cu6 C4 O16",
"formula_reduced": "Cu3(CO4)2",
"formula_anonymous": "A2B3C8",
"energy_above_hull": 2.768034565384616,
"spacegroup": 14
},
{
"id": "jvasp-29941",
"created_at": "2022-09-04T14:38:15.670180Z",
"updated_at": "2022-09-04T14:38:15.670200Z",
"structure_string": "Cu6 Bi2 Se4 I2 O16\n1.0\n6.446871 -0.000000 0.000000\n0.000000 7.334498 0.000000\n0.000000 0.000000 9.820771\nCu Bi Se I O\n6 2 4 2 16\ndirect\n0.250000 0.794665 0.250000 Cu\n0.750000 0.205335 0.750000 Cu\n0.500000 0.000000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.000000 0.000000 Cu\n0.250000 0.250571 0.250000 Bi\n0.750000 0.749429 0.750000 Bi\n0.250000 0.607112 0.943504 Se\n0.750000 0.392889 0.056496 Se\n0.750000 0.392889 0.443504 Se\n0.250000 0.607112 0.556495 Se\n0.250000 0.168002 0.750000 I\n0.750000 0.831998 0.250000 I\n0.539665 0.247272 0.415599 O\n0.250000 0.992258 0.113727 O\n0.960335 0.247272 0.084401 O\n0.750000 0.007743 0.613727 O\n0.750000 0.411898 0.617668 O\n0.460335 0.752728 0.584401 O\n0.250000 0.588103 0.382332 O\n0.039665 0.752728 0.915599 O\n0.539665 0.247272 0.084401 O\n0.750000 0.411898 0.882332 O\n0.750000 0.007743 0.886273 O\n0.250000 0.992258 0.386273 O\n0.960335 0.247272 0.415599 O\n0.039665 0.752728 0.584401 O\n0.460335 0.752728 0.915599 O\n0.250000 0.588103 0.117668 O\n",
"nsites": 30,
"nelements": 5,
"elements": [
"Cu",
"Bi",
"Se",
"I",
"O"
],
"chemical_system": "Bi-Cu-I-O-Se",
"density": 5.810378176017859,
"density_atomic": 0.06460353696295347,
"volume": 464.370859713197,
"volume_molar": 9.321688940116951,
"formula_full": "Cu6 Bi2 Se4 I2 O16",
"formula_reduced": "Cu3BiSe2IO8",
"formula_anonymous": "ABC2D3E8",
"energy_above_hull": 1.7142671105555556,
"spacegroup": 59
}
]
}