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=369",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-id&page=367",
"results": [
{
"id": "jvasp-91627",
"created_at": "2022-09-04T14:36:19.125456Z",
"updated_at": "2022-09-04T14:36:19.125484Z",
"structure_string": "Sb1 S4 N3\n1.0\n-3.045658 -3.045658 3.045658\n-3.045658 3.045658 -3.045658\n3.045658 -3.045658 -3.045658\nSb S N\n1 4 3\ndirect\n0.000000 0.000000 0.000000 Sb\n0.500056 0.000000 0.000000 S\n0.000000 0.500056 0.000000 S\n0.000000 0.000000 0.500056 S\n0.499945 0.499945 0.499945 S\n0.000000 0.500000 0.500000 N\n0.500000 0.000000 0.500000 N\n0.500000 0.500000 0.000000 N\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Sb",
"S",
"N"
],
"chemical_system": "N-S-Sb",
"density": 4.291293230058788,
"density_atomic": 0.07079239291530114,
"volume": 113.00649223104412,
"volume_molar": 8.506762537614927,
"formula_full": "Sb1 S4 N3",
"formula_reduced": "SbS4N3",
"formula_anonymous": "AB3C4",
"energy_above_hull": 3.84474698125,
"spacegroup": 229
},
{
"id": "jvasp-91626",
"created_at": "2022-09-04T14:36:15.674152Z",
"updated_at": "2022-09-04T14:36:15.674174Z",
"structure_string": "K4 Ga4\n1.0\n0.000000 4.507629 -0.000000\n0.000000 0.000000 6.388405\n9.882662 0.000000 0.000000\nK Ga\n4 4\ndirect\n0.250000 0.429102 0.674662 K\n0.250000 0.070898 0.174663 K\n0.750000 0.570898 0.325337 K\n0.750000 0.929103 0.825337 K\n0.250000 0.569848 0.021248 Ga\n0.250000 0.930153 0.521248 Ga\n0.750000 0.430152 0.978751 Ga\n0.750000 0.069848 0.478751 Ga\n",
"nsites": 8,
"nelements": 2,
"elements": [
"K",
"Ga"
],
"chemical_system": "Ga-K",
"density": 2.5398522377332498,
"density_atomic": 0.02811094462300369,
"volume": 284.58666570220686,
"volume_molar": 21.422761990971924,
"formula_full": "K4 Ga4",
"formula_reduced": "KGa",
"formula_anonymous": "AB",
"energy_above_hull": 0.214115,
"spacegroup": 62
},
{
"id": "jvasp-91625",
"created_at": "2022-09-04T14:36:11.783301Z",
"updated_at": "2022-09-04T14:36:11.783326Z",
"structure_string": "U6 Si2\n1.0\n-0.104038 4.237131 4.315962\n0.069252 -4.308516 4.245436\n4.290771 0.122202 -4.262620\nU Si\n6 2\ndirect\n0.714407 0.714320 0.000002 U\n0.285591 0.285683 0.999997 U\n0.233097 0.766831 0.999994 U\n0.766903 0.233164 0.000003 U\n0.233265 0.233266 0.466536 U\n0.766736 0.766733 0.533464 U\n0.250058 0.750053 0.500103 Si\n0.749938 0.249951 0.499897 Si\n",
"nsites": 8,
"nelements": 2,
"elements": [
"U",
"Si"
],
"chemical_system": "Si-U",
"density": 15.75931184783441,
"density_atomic": 0.05114974148854456,
"volume": 156.40352750935548,
"volume_molar": 11.773550725273385,
"formula_full": "U6 Si2",
"formula_reduced": "U3Si",
"formula_anonymous": "AB3",
"energy_above_hull": 5.19710415,
"spacegroup": 139
},
{
"id": "jvasp-91624",
"created_at": "2022-09-04T14:36:08.429866Z",
"updated_at": "2022-09-04T14:36:08.429889Z",
"structure_string": "Co2 Ag2 O4\n1.0\n-1.610429 -2.786189 0.000000\n-1.610429 2.786189 -0.000000\n0.000000 0.000000 -12.100779\nCo Ag O\n2 2 4\ndirect\n0.666979 0.333021 0.750000 Co\n0.333021 0.666979 0.250000 Co\n0.000000 0.000000 0.500000 Ag\n0.000000 0.000000 0.000000 Ag\n0.666930 0.333071 0.608372 O\n0.333071 0.666930 0.391628 O\n0.333071 0.666930 0.108372 O\n0.666930 0.333071 0.891628 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Co",
"Ag",
"O"
],
"chemical_system": "Ag-Co-O",
"density": 6.079955747605441,
"density_atomic": 0.07367065075424926,
"volume": 108.5914121579626,
"volume_molar": 8.174409616780325,
"formula_full": "Co2 Ag2 O4",
"formula_reduced": "CoAgO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.88364629,
"spacegroup": 194
},
{
"id": "jvasp-91623",
"created_at": "2022-09-04T14:36:04.874974Z",
"updated_at": "2022-09-04T14:36:04.874995Z",
"structure_string": "C8\n1.0\n0.000000 0.000000 -2.513367\n-0.000000 -4.254756 0.000000\n-4.384206 2.127378 0.000000\nC\n8\ndirect\n0.000000 0.981320 0.333045 C\n0.000000 0.018681 0.666956 C\n0.000000 0.351726 0.333045 C\n0.000000 0.648275 0.666956 C\n0.500001 0.226171 0.821593 C\n0.500001 0.773830 0.178408 C\n0.500001 0.595422 0.821593 C\n0.500001 0.404579 0.178408 C\n",
"nsites": 8,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 3.4031875503661344,
"density_atomic": 0.170635137569558,
"volume": 46.8836613252582,
"volume_molar": 3.529250098060913,
"formula_full": "C8",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy_above_hull": 0.2387399999999999,
"spacegroup": 65
},
{
"id": "jvasp-91622",
"created_at": "2022-09-04T14:35:57.332176Z",
"updated_at": "2022-09-04T14:35:57.332201Z",
"structure_string": "Pr2 Co2 Sb4\n1.0\n4.395924 -0.000000 -0.000000\n0.000000 4.395924 0.000000\n-0.000000 -0.000000 9.928910\nPr Co Sb\n2 2 4\ndirect\n0.749999 0.749999 0.741634 Pr\n0.250000 0.250000 0.258366 Pr\n0.250000 0.749999 0.500000 Co\n0.749999 0.250000 0.500000 Co\n0.250000 0.749999 0.000000 Sb\n0.749999 0.250000 0.000000 Sb\n0.749999 0.749999 0.368163 Sb\n0.250000 0.250000 0.631837 Sb\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Pr",
"Co",
"Sb"
],
"chemical_system": "Co-Pr-Sb",
"density": 7.674224581108572,
"density_atomic": 0.04169539208385337,
"volume": 191.86772446967868,
"volume_molar": 14.443180550716267,
"formula_full": "Pr2 Co2 Sb4",
"formula_reduced": "PrCoSb2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.8896957375,
"spacegroup": 129
},
{
"id": "jvasp-91621",
"created_at": "2022-09-04T14:35:54.278002Z",
"updated_at": "2022-09-04T14:35:54.278027Z",
"structure_string": "Sr2 Cd4 Pd2\n1.0\n4.469896 -0.000000 -0.000000\n-2.234948 5.331229 0.000000\n-0.000000 0.000000 8.140413\nSr Cd Pd\n2 4 2\ndirect\n0.065965 0.131930 0.250000 Sr\n0.934035 0.868070 0.750000 Sr\n0.355629 0.711257 0.445229 Cd\n0.644372 0.288743 0.554770 Cd\n0.355629 0.711257 0.054771 Cd\n0.644372 0.288743 0.945229 Cd\n0.779052 0.558104 0.250000 Pd\n0.220948 0.441896 0.750000 Pd\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Sr",
"Cd",
"Pd"
],
"chemical_system": "Cd-Pd-Sr",
"density": 7.170985752071446,
"density_atomic": 0.04124001279834639,
"volume": 193.98636074916004,
"volume_molar": 14.60266462439476,
"formula_full": "Sr2 Cd4 Pd2",
"formula_reduced": "SrCd2Pd",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 63
},
{
"id": "jvasp-91620",
"created_at": "2022-09-04T14:35:50.562428Z",
"updated_at": "2022-09-04T14:35:50.562444Z",
"structure_string": "Sb2 Pt6\n1.0\n3.987085 0.000000 -0.000000\n0.000000 3.987085 -0.000000\n-1.993543 -1.993543 8.766616\nSb Pt\n2 6\ndirect\n0.863581 0.863581 0.727159 Sb\n0.136421 0.136421 0.272842 Sb\n0.500001 0.000000 0.000000 Pt\n0.000000 0.500001 0.000000 Pt\n0.250001 0.750001 0.500000 Pt\n0.750001 0.250001 0.500000 Pt\n0.612554 0.612554 0.225106 Pt\n0.387448 0.387448 0.774894 Pt\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Sb",
"Pt"
],
"chemical_system": "Pt-Sb",
"density": 16.84856452973375,
"density_atomic": 0.05740464220526032,
"volume": 139.36155148210145,
"volume_molar": 10.49068599446502,
"formula_full": "Sb2 Pt6",
"formula_reduced": "SbPt3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.327932575,
"spacegroup": 139
},
{
"id": "jvasp-9162",
"created_at": "2022-09-04T14:36:51.290972Z",
"updated_at": "2022-09-04T14:36:51.290994Z",
"structure_string": "C6 N8\n1.0\n4.156467 0.000000 2.399737\n1.385489 3.918754 2.399737\n-0.000000 0.000000 4.799475\nC N\n6 8\ndirect\n0.125000 0.125000 0.125000 C\n0.875001 0.874999 0.875000 C\n0.500001 0.499999 0.500000 C\n0.500001 0.499999 0.000001 C\n0.000000 0.499999 0.500000 C\n0.500000 0.000000 0.500000 C\n0.255547 0.255546 0.255547 N\n0.744454 0.744452 0.266641 N\n0.266641 0.744452 0.744453 N\n0.744454 0.266640 0.744453 N\n0.733361 0.255546 0.255547 N\n0.255547 0.733359 0.255547 N\n0.255547 0.255546 0.733359 N\n0.744454 0.744452 0.744453 N\n",
"nsites": 14,
"nelements": 2,
"elements": [
"C",
"N"
],
"chemical_system": "C-N",
"density": 3.9109188291849164,
"density_atomic": 0.17908613495161846,
"volume": 78.17467278403329,
"volume_molar": 3.3627063098027823,
"formula_full": "C6 N8",
"formula_reduced": "C3N4",
"formula_anonymous": "A3B4",
"energy_above_hull": 6.548677571428571,
"spacegroup": 227
},
{
"id": "jvasp-91619",
"created_at": "2022-09-04T14:35:47.010817Z",
"updated_at": "2022-09-04T14:35:47.010834Z",
"structure_string": "Sm2 Fe2 Sb4\n1.0\n4.338922 0.000000 -0.000000\n-0.000000 4.338922 0.000000\n0.000000 -0.000000 9.721173\nSm Fe Sb\n2 2 4\ndirect\n0.750000 0.750000 0.740885 Sm\n0.250000 0.250000 0.259115 Sm\n0.250000 0.750000 0.500000 Fe\n0.750000 0.250000 0.500000 Fe\n0.250000 0.750000 0.000000 Sb\n0.750000 0.250000 0.000000 Sb\n0.750000 0.750000 0.362728 Sb\n0.250000 0.250000 0.637271 Sb\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Sm",
"Fe",
"Sb"
],
"chemical_system": "Fe-Sb-Sm",
"density": 8.161007287459253,
"density_atomic": 0.0437126996679744,
"volume": 183.01317605101173,
"volume_molar": 13.77663883892317,
"formula_full": "Sm2 Fe2 Sb4",
"formula_reduced": "SmFeSb2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.91328664375,
"spacegroup": 129
},
{
"id": "jvasp-91618",
"created_at": "2022-09-04T14:35:43.594506Z",
"updated_at": "2022-09-04T14:35:43.594533Z",
"structure_string": "Zr2 Cu2 Ge2 As2\n1.0\n3.745069 0.000000 -0.000000\n0.000000 3.745069 0.000000\n0.000000 0.000000 9.701641\nZr Cu Ge As\n2 2 2 2\ndirect\n0.750000 0.750000 0.773217 Zr\n0.250000 0.250000 0.226782 Zr\n0.750000 0.250000 0.500000 Cu\n0.250000 0.750000 0.500000 Cu\n0.750000 0.250000 0.000000 Ge\n0.250000 0.750000 0.000000 Ge\n0.750000 0.750000 0.322557 As\n0.250000 0.250000 0.677443 As\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Zr",
"Cu",
"Ge",
"As"
],
"chemical_system": "As-Cu-Ge-Zr",
"density": 7.379004723345118,
"density_atomic": 0.05879293481468133,
"volume": 136.07077151729973,
"volume_molar": 10.242966742487221,
"formula_full": "Zr2 Cu2 Ge2 As2",
"formula_reduced": "ZrCuGeAs",
"formula_anonymous": "ABCD",
"energy_above_hull": 1.6041431624999998,
"spacegroup": 129
},
{
"id": "jvasp-91617",
"created_at": "2022-09-04T14:35:40.753020Z",
"updated_at": "2022-09-04T14:35:40.753045Z",
"structure_string": "V6 Ge2\n1.0\n4.758149 -0.000000 0.000000\n-0.000000 4.758149 0.000000\n-0.000000 0.000000 4.758149\nV Ge\n6 2\ndirect\n0.000000 0.500000 0.750000 V\n0.500000 0.250000 0.000000 V\n0.750000 0.000000 0.500000 V\n0.000000 0.500000 0.250000 V\n0.500000 0.750000 0.000000 V\n0.250000 0.000000 0.500000 V\n0.500000 0.500000 0.500000 Ge\n0.000000 0.000000 0.000000 Ge\n",
"nsites": 8,
"nelements": 2,
"elements": [
"V",
"Ge"
],
"chemical_system": "Ge-V",
"density": 6.95093377406026,
"density_atomic": 0.07426357872799429,
"volume": 107.72440726700842,
"volume_molar": 8.109144298118645,
"formula_full": "V6 Ge2",
"formula_reduced": "V3Ge",
"formula_anonymous": "AB3",
"energy_above_hull": 3.3862746375,
"spacegroup": 223
}
]
}