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=id&page=513",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=id&page=511",
"results": [
{
"id": "jvasp-109000",
"created_at": "2022-09-04T14:37:46.569868Z",
"updated_at": "2022-09-04T14:37:46.569888Z",
"structure_string": "Rb2 Y1 Ag1 Cl6\n1.0\n6.490980 -0.000000 3.747569\n2.163660 6.119755 3.747569\n-0.000000 -0.000000 7.495138\nRb Y Ag Cl\n2 1 1 6\ndirect\n0.750000 0.749999 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Ag\n0.746455 0.253544 0.253545 Cl\n0.253545 0.253544 0.746456 Cl\n0.253545 0.746455 0.746456 Cl\n0.253545 0.746455 0.253545 Cl\n0.746455 0.253544 0.746456 Cl\n0.746456 0.746455 0.253545 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Y",
"Ag",
"Cl"
],
"chemical_system": "Ag-Cl-Rb-Y",
"density": 3.2372277163852043,
"density_atomic": 0.033587374734787574,
"volume": 297.73092059030927,
"volume_molar": 17.92977512399225,
"formula_full": "Rb2 Y1 Ag1 Cl6",
"formula_reduced": "Rb2YAgCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-109001",
"created_at": "2022-09-04T14:38:17.591177Z",
"updated_at": "2022-09-04T14:38:17.591196Z",
"structure_string": "K2 Nb1 Hg1 F6\n1.0\n5.911305 -0.000000 3.412894\n1.970435 5.573232 3.412894\n-0.000000 -0.000000 6.825787\nK Nb Hg F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750001 0.750000 0.749999 K\n0.000000 0.000000 0.000000 Nb\n0.500001 0.500000 0.499999 Hg\n0.207857 0.207856 0.792144 F\n0.207857 0.792143 0.792143 F\n0.792145 0.792143 0.207855 F\n0.207857 0.792143 0.207856 F\n0.792145 0.207856 0.792143 F\n0.792145 0.207856 0.207855 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Nb",
"Hg",
"F"
],
"chemical_system": "F-Hg-K-Nb",
"density": 3.5864033796263604,
"density_atomic": 0.04446894008996098,
"volume": 224.87605910484777,
"volume_molar": 13.54235281483473,
"formula_full": "K2 Nb1 Hg1 F6",
"formula_reduced": "K2NbHgF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-109002",
"created_at": "2022-09-04T14:38:15.494202Z",
"updated_at": "2022-09-04T14:38:15.494229Z",
"structure_string": "Rb2 Tl2 Br6\n1.0\n7.096402 -0.000000 4.097110\n2.365467 6.690552 4.097110\n-0.000000 -0.000000 8.194219\nRb Tl Br\n2 2 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Tl\n0.757632 0.242368 0.242368 Br\n0.242368 0.242368 0.757632 Br\n0.242369 0.757632 0.757632 Br\n0.242369 0.757632 0.242368 Br\n0.757632 0.242368 0.757632 Br\n0.757632 0.757632 0.242368 Br\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Rb",
"Tl",
"Br"
],
"chemical_system": "Br-Rb-Tl",
"density": 4.520527151452409,
"density_atomic": 0.02570350051283409,
"volume": 389.0520668578535,
"volume_molar": 23.42926309586925,
"formula_full": "Rb2 Tl2 Br6",
"formula_reduced": "RbTlBr3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-109003",
"created_at": "2022-09-04T14:37:46.718242Z",
"updated_at": "2022-09-04T14:37:46.718263Z",
"structure_string": "Rb2 Sc1 Tl1 I6\n1.0\n7.529679 -0.000000 4.347262\n2.509893 7.099049 4.347262\n-0.000000 -0.000000 8.694524\nRb Sc Tl I\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Tl\n0.766394 0.233606 0.233606 I\n0.233606 0.233606 0.766393 I\n0.233606 0.766394 0.766393 I\n0.233606 0.766394 0.233606 I\n0.766394 0.233606 0.766393 I\n0.766394 0.766394 0.233606 I\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Sc",
"Tl",
"I"
],
"chemical_system": "I-Rb-Sc-Tl",
"density": 4.222158048503464,
"density_atomic": 0.02151679357911016,
"volume": 464.7532618293379,
"volume_molar": 27.988095614054075,
"formula_full": "Rb2 Sc1 Tl1 I6",
"formula_reduced": "Rb2ScTlI6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-109004",
"created_at": "2022-09-04T14:38:17.030840Z",
"updated_at": "2022-09-04T14:38:17.030857Z",
"structure_string": "K1 Rb2 Sm1 Cl6\n1.0\n6.836891 -0.000000 3.947281\n2.278964 6.445883 3.947281\n-0.000000 -0.000000 7.894562\nK Rb Sm Cl\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 K\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Sm\n0.760443 0.239557 0.239557 Cl\n0.239557 0.239557 0.760443 Cl\n0.239557 0.760442 0.760443 Cl\n0.239557 0.760442 0.239557 Cl\n0.760443 0.239557 0.760443 Cl\n0.760442 0.760442 0.239557 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Rb",
"Sm",
"Cl"
],
"chemical_system": "Cl-K-Rb-Sm",
"density": 2.7353909735074886,
"density_atomic": 0.0287429199808767,
"volume": 347.9117642415322,
"volume_molar": 20.951736163224417,
"formula_full": "K1 Rb2 Sm1 Cl6",
"formula_reduced": "KRb2SmCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-109005",
"created_at": "2022-09-04T14:38:15.529099Z",
"updated_at": "2022-09-04T14:38:15.529115Z",
"structure_string": "Rb2 Na1 In1 Br6\n1.0\n6.762561 -0.000000 3.904366\n2.254187 6.375804 3.904366\n-0.000000 -0.000000 7.808733\nRb Na In Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 In\n0.756363 0.243637 0.243638 Br\n0.243637 0.243637 0.756363 Br\n0.243638 0.756362 0.756363 Br\n0.243638 0.756362 0.243637 Br\n0.756363 0.243637 0.756363 Br\n0.756363 0.756362 0.243638 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Na",
"In",
"Br"
],
"chemical_system": "Br-In-Na-Rb",
"density": 3.8872352234165213,
"density_atomic": 0.02970115054638583,
"volume": 336.687293792962,
"volume_molar": 20.275782753246915,
"formula_full": "Rb2 Na1 In1 Br6",
"formula_reduced": "Rb2NaInBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-109006",
"created_at": "2022-09-04T14:37:46.718544Z",
"updated_at": "2022-09-04T14:37:46.718553Z",
"structure_string": "Rb3 Tl1 I6\n1.0\n7.775444 0.000000 4.489155\n2.591815 7.330759 4.489155\n-0.000000 0.000000 8.978310\nRb Tl I\n3 1 6\ndirect\n0.749999 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.499999 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Tl\n0.764523 0.235476 0.235476 I\n0.235476 0.235476 0.764524 I\n0.235476 0.764524 0.764523 I\n0.235476 0.764524 0.235476 I\n0.764523 0.235476 0.764523 I\n0.764523 0.764524 0.235476 I\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Rb",
"Tl",
"I"
],
"chemical_system": "I-Rb-Tl",
"density": 3.965769281204197,
"density_atomic": 0.019540301633505865,
"volume": 511.7628267750455,
"volume_molar": 30.819077785748206,
"formula_full": "Rb3 Tl1 I6",
"formula_reduced": "Rb3TlI6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-109007",
"created_at": "2022-09-04T14:37:46.786721Z",
"updated_at": "2022-09-04T14:37:46.786743Z",
"structure_string": "K1 Y1 Cu2 O4\n1.0\n3.868882 -0.000000 0.000000\n0.000000 3.868882 0.000000\n-0.000000 -0.000000 6.999335\nK Y Cu O\n1 1 2 4\ndirect\n0.000000 0.000000 0.000000 K\n0.000000 0.000000 0.500000 Y\n0.500000 0.500000 0.727838 Cu\n0.500000 0.500000 0.272162 Cu\n-0.000000 0.500000 0.703193 O\n0.500000 0.000000 0.703193 O\n-0.000000 0.500000 0.296806 O\n0.500000 0.000000 0.296806 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"K",
"Y",
"Cu",
"O"
],
"chemical_system": "Cu-K-O-Y",
"density": 5.057543736885858,
"density_atomic": 0.0763593528081535,
"volume": 104.7677816245946,
"volume_molar": 7.886579100703128,
"formula_full": "K1 Y1 Cu2 O4",
"formula_reduced": "KY(CuO2)2",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.33070604375,
"spacegroup": 123
},
{
"id": "jvasp-109008",
"created_at": "2022-09-04T14:38:17.036571Z",
"updated_at": "2022-09-04T14:38:17.036590Z",
"structure_string": "Na2 Cu1 F4\n1.0\n3.709681 -0.028616 -5.199677\n-0.403437 3.687790 -5.199677\n0.025856 0.028616 6.387308\nNa Cu F\n2 1 4\ndirect\n0.336122 0.336123 -0.000001 Na\n0.663876 0.663876 -0.000002 Na\n0.000000 0.000000 0.000000 Cu\n0.500000 0.000000 0.500000 F\n0.000000 0.500001 0.500001 F\n0.750000 0.250000 0.499999 F\n0.250000 0.750000 0.500000 F\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Na",
"Cu",
"F"
],
"chemical_system": "Cu-F-Na",
"density": 3.484088104929162,
"density_atomic": 0.07916793597369719,
"volume": 88.41963496845094,
"volume_molar": 7.606792681826138,
"formula_full": "Na2 Cu1 F4",
"formula_reduced": "Na2CuF4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.0288042857142857,
"spacegroup": 139
},
{
"id": "jvasp-109009",
"created_at": "2022-09-04T14:38:15.573419Z",
"updated_at": "2022-09-04T14:38:15.573446Z",
"structure_string": "Li2 V2 S6\n1.0\n5.739283 0.044539 -0.241962\n-2.874971 5.217238 -2.208901\n0.153461 0.062350 6.638028\nLi V S\n2 2 6\ndirect\n0.519092 0.707868 0.832216 Li\n0.480908 0.292132 0.167785 Li\n0.770520 0.065022 0.573065 V\n0.229480 0.934978 0.426936 V\n0.069293 0.434918 0.856825 S\n0.553071 0.957368 0.236868 S\n0.170400 0.250451 0.423168 S\n0.829600 0.749549 0.576833 S\n0.446929 0.042633 0.763133 S\n0.930706 0.565082 0.143176 S\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Li",
"V",
"S"
],
"chemical_system": "Li-S-V",
"density": 2.5505305194910837,
"density_atomic": 0.04984392207285035,
"volume": 200.62626663656818,
"volume_molar": 12.081996178387053,
"formula_full": "Li2 V2 S6",
"formula_reduced": "LiVS3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.09520484,
"spacegroup": 2
},
{
"id": "jvasp-10901",
"created_at": "2022-09-04T14:37:16.705152Z",
"updated_at": "2022-09-04T14:37:16.705179Z",
"structure_string": "Ca1 Ti4 S8\n1.0\n7.095235 0.078063 0.055199\n3.615222 6.261746 0.000000\n3.615222 2.087249 5.903632\nCa Ti S\n1 4 8\ndirect\n0.500000 -0.000000 0.000000 Ca\n-0.000000 0.500000 0.500000 Ti\n0.499999 0.500000 0.000000 Ti\n0.499999 0.500000 0.500000 Ti\n0.500000 -0.000000 0.500000 Ti\n0.247754 0.261592 0.261591 S\n0.247754 0.261592 0.729064 S\n0.247753 0.729064 0.261592 S\n0.732334 0.255888 0.255888 S\n0.267665 0.744113 0.744112 S\n0.752245 0.738409 0.270936 S\n0.752245 0.270936 0.738408 S\n0.752245 0.738409 0.738408 S\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Ca",
"Ti",
"S"
],
"chemical_system": "Ca-S-Ti",
"density": 3.1196366552396917,
"density_atomic": 0.05004027812574892,
"volume": 259.7907223323499,
"volume_molar": 12.034586907903746,
"formula_full": "Ca1 Ti4 S8",
"formula_reduced": "Ca(TiS2)4",
"formula_anonymous": "AB4C8",
"energy_above_hull": 2.71763951948718,
"spacegroup": 166
},
{
"id": "jvasp-109010",
"created_at": "2022-09-04T14:38:17.627303Z",
"updated_at": "2022-09-04T14:38:17.627313Z",
"structure_string": "Li3 Sb1 S3\n1.0\n5.711698 -0.004151 -2.683010\n-4.223403 3.845307 -2.683010\n-0.001609 -0.004152 6.310471\nLi Sb S\n3 1 3\ndirect\n0.549149 0.982878 0.549149 Li\n0.549149 0.549149 0.982877 Li\n0.982878 0.549149 0.549149 Li\n0.140334 0.140334 0.140334 Sb\n0.977385 0.623649 0.977384 S\n0.977385 0.977385 0.623648 S\n0.623649 0.977385 0.977384 S\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Li",
"Sb",
"S"
],
"chemical_system": "Li-S-Sb",
"density": 2.8657054456909554,
"density_atomic": 0.05059250476856892,
"volume": 138.36041587624294,
"volume_molar": 11.903227143126768,
"formula_full": "Li3 Sb1 S3",
"formula_reduced": "Li3SbS3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 1.3760680142857145,
"spacegroup": 160
}
]
}