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=spacegroup&page=1168",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=1166",
"results": [
{
"id": "jvasp-7651",
"created_at": "2022-09-04T14:36:40.054265Z",
"updated_at": "2022-09-04T14:36:40.054286Z",
"structure_string": "K4 Cu2 Sb2\n1.0\n6.236232 0.000000 -0.000000\n0.000000 6.298375 -1.797228\n0.000000 -0.005598 6.549773\nK Cu Sb\n4 2 2\ndirect\n0.250000 0.012920 0.674545 K\n0.750000 0.987081 0.325455 K\n0.750000 0.325455 0.987080 K\n0.250000 0.674545 0.012920 K\n0.500000 0.500000 0.500000 Cu\n0.000000 0.500000 0.500000 Cu\n0.250000 0.246712 0.246712 Sb\n0.750000 0.753288 0.753287 Sb\n",
"nsites": 8,
"nelements": 3,
"elements": [
"K",
"Cu",
"Sb"
],
"chemical_system": "Cu-K-Sb",
"density": 3.4024590045257694,
"density_atomic": 0.03110418957910031,
"volume": 257.20007845423504,
"volume_molar": 19.361188449180585,
"formula_full": "K4 Cu2 Sb2",
"formula_reduced": "K2CuSb",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 63
},
{
"id": "jvasp-103016",
"created_at": "2022-09-04T14:36:40.436700Z",
"updated_at": "2022-09-04T14:36:40.436732Z",
"structure_string": "Rb2 O2\n1.0\n5.484348 0.023553 -0.000000\n-4.123981 3.615440 0.000000\n0.000000 -0.000000 4.179285\nRb O\n2 2\ndirect\n0.630183 0.369816 0.250000 Rb\n0.369817 0.630183 0.749999 Rb\n0.919763 0.080236 0.250000 O\n0.080237 0.919763 0.749999 O\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Rb",
"O"
],
"chemical_system": "O-Rb",
"density": 4.0466379838477655,
"density_atomic": 0.04803409092182578,
"volume": 83.27418971059315,
"volume_molar": 12.537222302803391,
"formula_full": "Rb2 O2",
"formula_reduced": "RbO",
"formula_anonymous": "AB",
"energy_above_hull": 0.2354333749999998,
"spacegroup": 63
},
{
"id": "jvasp-101264",
"created_at": "2022-09-04T14:36:40.495912Z",
"updated_at": "2022-09-04T14:36:40.495925Z",
"structure_string": "K4 Sb2 Au2\n1.0\n6.516438 0.012822 0.000000\n-1.808809 6.260378 0.000000\n-0.000000 -0.000000 6.549123\nK Sb Au\n4 2 2\ndirect\n0.840586 0.496938 0.750000 K\n0.503062 0.159414 0.250000 K\n0.496938 0.840586 0.750000 K\n0.159414 0.503062 0.250000 K\n0.726688 0.726688 0.250000 Sb\n0.273312 0.273312 0.750000 Sb\n0.000000 0.000000 0.000000 Au\n0.000000 0.000000 0.500000 Au\n",
"nsites": 8,
"nelements": 3,
"elements": [
"K",
"Sb",
"Au"
],
"chemical_system": "Au-K-Sb",
"density": 4.93111057962192,
"density_atomic": 0.029926035407492817,
"volume": 267.3257546837286,
"volume_molar": 20.123416543483035,
"formula_full": "K4 Sb2 Au2",
"formula_reduced": "K2SbAu",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 63
},
{
"id": "jvasp-7785",
"created_at": "2022-09-04T14:36:40.506214Z",
"updated_at": "2022-09-04T14:36:40.506226Z",
"structure_string": "Sn2 S2\n1.0\n3.549003 0.000000 -1.276157\n0.000000 5.788096 -0.000000\n0.118811 -0.000000 5.903394\nSn S\n2 2\ndirect\n0.851231 0.250000 0.702463 Sn\n0.148768 0.750000 0.297535 Sn\n0.189161 0.250000 0.378322 S\n0.810838 0.750000 0.621676 S\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sn",
"S"
],
"chemical_system": "S-Sn",
"density": 4.099519349185959,
"density_atomic": 0.032747978879354066,
"volume": 122.14494258519863,
"volume_molar": 18.38935093425461,
"formula_full": "Sn2 S2",
"formula_reduced": "SnS",
"formula_anonymous": "AB",
"energy_above_hull": 0.5481858500000002,
"spacegroup": 63
},
{
"id": "jvasp-101066",
"created_at": "2022-09-04T14:36:40.566133Z",
"updated_at": "2022-09-04T14:36:40.566156Z",
"structure_string": "Sn4 I2 F4\n1.0\n5.891065 0.134088 0.000000\n-4.382970 3.938553 0.000000\n-0.000000 -0.000000 9.969191\nSn I F\n4 2 4\ndirect\n0.625831 0.374169 0.089996 Sn\n0.374168 0.625831 0.589996 Sn\n0.625831 0.374169 0.410004 Sn\n0.374168 0.625831 0.910004 Sn\n0.933126 0.066874 0.250000 I\n0.066873 0.933126 0.750000 I\n0.213756 0.786243 0.065494 F\n0.786243 0.213757 0.565494 F\n0.213756 0.786243 0.434506 F\n0.786243 0.213757 0.934506 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Sn",
"I",
"F"
],
"chemical_system": "F-I-Sn",
"density": 5.633757947040645,
"density_atomic": 0.042164416060909995,
"volume": 237.16680875063398,
"volume_molar": 14.282519058963173,
"formula_full": "Sn4 I2 F4",
"formula_reduced": "Sn2IF2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.0810451700000001,
"spacegroup": 63
},
{
"id": "jvasp-47957",
"created_at": "2022-09-04T14:36:41.034986Z",
"updated_at": "2022-09-04T14:36:41.035005Z",
"structure_string": "Fe8 O2 F14\n1.0\n4.833451 -0.057423 0.000000\n-0.057423 4.833451 0.000000\n0.000000 0.000000 12.353483\nFe O F\n8 2 14\ndirect\n0.973227 0.973227 0.000000 Fe\n0.000000 0.000000 0.250000 Fe\n0.026774 0.026774 0.500000 Fe\n0.000000 0.000000 0.750000 Fe\n0.504580 0.504580 0.115348 Fe\n0.495420 0.495420 0.615348 Fe\n0.504580 0.504580 0.884652 Fe\n0.495420 0.495420 0.384652 Fe\n0.303259 0.303259 0.500000 O\n0.696742 0.696742 0.000000 O\n0.800476 0.206970 0.371568 F\n0.793030 0.199525 0.128432 F\n0.696792 0.696792 0.747340 F\n0.724136 0.724136 0.500000 F\n0.696792 0.696792 0.252659 F\n0.303209 0.303209 0.752659 F\n0.206970 0.800476 0.371568 F\n0.275864 0.275864 0.000000 F\n0.199525 0.793030 0.871568 F\n0.206970 0.800476 0.628432 F\n0.800476 0.206970 0.628432 F\n0.199525 0.793030 0.128432 F\n0.303209 0.303209 0.247341 F\n0.793030 0.199525 0.871568 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-O",
"density": 4.2855734613229,
"density_atomic": 0.08317034079004393,
"volume": 288.564406157549,
"volume_molar": 7.240731134194045,
"formula_full": "Fe8 O2 F14",
"formula_reduced": "Fe4OF7",
"formula_anonymous": "AB4C7",
"energy_above_hull": 1.3724047897916662,
"spacegroup": 63
},
{
"id": "jvasp-100280",
"created_at": "2022-09-04T14:36:42.147396Z",
"updated_at": "2022-09-04T14:36:42.147416Z",
"structure_string": "Er2 Mn4 Si2 C2\n1.0\n5.590346 -0.005073 0.000000\n-4.384557 3.468091 -0.000000\n0.000000 -0.000000 6.963548\nEr Mn Si C\n2 4 2 2\ndirect\n0.542738 0.457262 0.250000 Er\n0.457262 0.542738 0.750000 Er\n0.832075 0.167926 0.060992 Mn\n0.167925 0.832074 0.939008 Mn\n0.167925 0.832074 0.560992 Mn\n0.832075 0.167926 0.439008 Mn\n0.264157 0.735842 0.250000 Si\n0.735843 0.264158 0.750000 Si\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Er",
"Mn",
"Si",
"C"
],
"chemical_system": "C-Er-Mn-Si",
"density": 7.81256958029276,
"density_atomic": 0.07415471803881017,
"volume": 134.8531862094914,
"volume_molar": 8.12104869288048,
"formula_full": "Er2 Mn4 Si2 C2",
"formula_reduced": "ErMn2SiC",
"formula_anonymous": "ABCD2",
"energy_above_hull": 3.941244616551724,
"spacegroup": 63
},
{
"id": "jvasp-106241",
"created_at": "2022-09-04T14:36:41.482436Z",
"updated_at": "2022-09-04T14:36:41.482457Z",
"structure_string": "Eu4 Mg2\n1.0\n8.788484 0.075573 0.000000\n-8.031948 3.568049 -0.000000\n0.000000 0.000000 5.510562\nEu Mg\n4 2\ndirect\n0.090823 0.909177 0.250000 Eu\n0.772076 0.227922 0.250000 Eu\n0.909176 0.090822 0.750000 Eu\n0.227923 0.772077 0.750000 Eu\n0.432631 0.567368 0.250000 Mg\n0.567367 0.432632 0.750000 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Eu",
"Mg"
],
"chemical_system": "Eu-Mg",
"density": 6.1886264137552445,
"density_atomic": 0.034063100956546764,
"volume": 176.1436813299533,
"volume_molar": 17.679367382559377,
"formula_full": "Eu4 Mg2",
"formula_reduced": "Eu2Mg",
"formula_anonymous": "AB2",
"energy_above_hull": 0.6206996833333329,
"spacegroup": 63
},
{
"id": "jvasp-50726",
"created_at": "2022-09-04T14:36:41.585727Z",
"updated_at": "2022-09-04T14:36:41.585746Z",
"structure_string": "Li2 Cu2 P2 O8\n1.0\n2.797981 4.093515 -0.000000\n-2.797981 4.093515 -0.000000\n0.000000 -0.000000 6.140012\nLi Cu P O\n2 2 2 8\ndirect\n0.500001 0.500001 0.000000 Li\n0.500001 0.500001 0.500000 Li\n0.198356 0.198356 0.250000 Cu\n0.801645 0.801645 0.750000 Cu\n0.139776 0.139776 0.750000 P\n0.860225 0.860225 0.250000 P\n0.197036 0.749379 0.250000 O\n0.250622 0.802965 0.750000 O\n0.253990 0.253990 0.549084 O\n0.253990 0.253990 0.950916 O\n0.746011 0.746011 0.049084 O\n0.746011 0.746011 0.450916 O\n0.749379 0.197036 0.250000 O\n0.802965 0.250622 0.750000 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Cu",
"P",
"O"
],
"chemical_system": "Cu-Li-O-P",
"density": 3.9068564209769097,
"density_atomic": 0.09953771640175184,
"volume": 140.65020281853285,
"volume_molar": 6.050109423541097,
"formula_full": "Li2 Cu2 P2 O8",
"formula_reduced": "LiCuPO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.833627135714286,
"spacegroup": 63
},
{
"id": "jvasp-103614",
"created_at": "2022-09-04T14:36:41.693849Z",
"updated_at": "2022-09-04T14:36:41.693866Z",
"structure_string": "Mg2 Hg4\n1.0\n7.517536 0.156950 0.000000\n-6.736819 3.339648 0.000000\n0.000000 0.000000 5.216983\nMg Hg\n2 4\ndirect\n0.602433 0.397568 0.250000 Mg\n0.397568 0.602433 0.750000 Mg\n0.263120 0.736881 0.250000 Hg\n0.939235 0.060765 0.250000 Hg\n0.736881 0.263119 0.750000 Hg\n0.060766 0.939235 0.750000 Hg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Hg"
],
"chemical_system": "Hg-Mg",
"density": 10.352659708554116,
"density_atomic": 0.04395819407981852,
"volume": 136.49332338597225,
"volume_molar": 13.699700103842078,
"formula_full": "Mg2 Hg4",
"formula_reduced": "MgHg2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.3004225,
"spacegroup": 63
},
{
"id": "jvasp-79269",
"created_at": "2022-09-04T14:36:41.901669Z",
"updated_at": "2022-09-04T14:36:41.901701Z",
"structure_string": "Tl2 Br2\n1.0\n4.093113 -0.000000 -1.437501\n-0.000000 5.041170 -0.000000\n0.004376 0.000000 6.558536\nTl Br\n2 2\ndirect\n0.612134 0.250000 0.224268 Tl\n0.387867 0.750000 0.775733 Tl\n0.132900 0.750000 0.265801 Br\n0.867100 0.250000 0.734200 Br\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Tl",
"Br"
],
"chemical_system": "Br-Tl",
"density": 6.974977516150377,
"density_atomic": 0.029550596466749332,
"volume": 135.3610579231741,
"volume_molar": 20.379083605896692,
"formula_full": "Tl2 Br2",
"formula_reduced": "TlBr",
"formula_anonymous": "AB",
"energy_above_hull": 0.0011499999999999,
"spacegroup": 63
},
{
"id": "jvasp-11125",
"created_at": "2022-09-04T14:36:41.746113Z",
"updated_at": "2022-09-04T14:36:41.746131Z",
"structure_string": "Rb4 As4 Pt2\n1.0\n6.271745 -0.000000 -0.000000\n0.000000 6.004839 -2.800760\n0.000000 0.106684 8.066308\nRb As Pt\n4 4 2\ndirect\n0.749999 0.795184 0.590368 Rb\n0.749999 0.414994 0.829991 Rb\n0.250000 0.204816 0.409632 Rb\n0.250000 0.585005 0.170009 Rb\n0.749999 0.293715 0.213990 As\n0.250000 0.079724 0.786010 As\n0.250000 0.706285 0.786010 As\n0.749999 0.920275 0.213990 As\n0.000000 0.000000 0.000000 Pt\n0.500000 0.000000 0.000000 Pt\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Rb",
"As",
"Pt"
],
"chemical_system": "As-Pt-Rb",
"density": 5.605029559820915,
"density_atomic": 0.03271633173090515,
"volume": 305.65773945107674,
"volume_molar": 18.407139313577893,
"formula_full": "Rb4 As4 Pt2",
"formula_reduced": "Rb2As2Pt",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.0414109799999998,
"spacegroup": 63
}
]
}