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=volume&page=681",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume&page=679",
"results": [
{
"id": "jvasp-109951",
"created_at": "2022-09-04T14:38:17.319191Z",
"updated_at": "2022-09-04T14:38:17.319213Z",
"structure_string": "Ga1 Pd3\n1.0\n3.919064 -0.000000 0.000000\n0.000000 3.919064 0.000000\n0.000000 0.000000 3.919064\nGa Pd\n1 3\ndirect\n0.000000 0.000000 0.000000 Ga\n-0.000000 0.499999 0.499999 Pd\n0.499999 0.000000 0.499999 Pd\n0.499999 0.499999 -0.000000 Pd\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ga",
"Pd"
],
"chemical_system": "Ga-Pd",
"density": 10.730813616431284,
"density_atomic": 0.06645274481384121,
"volume": 60.19314945086894,
"volume_molar": 9.062290469521237,
"formula_full": "Ga1 Pd3",
"formula_reduced": "GaPd3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.02861235625,
"spacegroup": 221
},
{
"id": "jvasp-81471",
"created_at": "2022-09-04T14:37:11.379537Z",
"updated_at": "2022-09-04T14:37:11.379558Z",
"structure_string": "Mn1 Tc2 Mo1\n1.0\n-9.111940 -0.000001 -5.260780\n-5.804900 0.092207 -0.467180\n-5.015737 2.324279 -1.834051\nMn Tc Mo\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.789301 0.000000 0.000000 Tc\n0.210699 0.000000 0.000000 Tc\n0.500000 0.000000 0.000000 Mo\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"Tc",
"Mo"
],
"chemical_system": "Mn-Mo-Tc",
"density": 9.569265072061874,
"density_atomic": 0.06645270530583505,
"volume": 60.193185237392726,
"volume_molar": 9.062295857308325,
"formula_full": "Mn1 Tc2 Mo1",
"formula_reduced": "MnTc2Mo",
"formula_anonymous": "ABC2",
"energy_above_hull": 5.406754035344827,
"spacegroup": 71
},
{
"id": "jvasp-36658",
"created_at": "2022-09-04T14:37:30.345039Z",
"updated_at": "2022-09-04T14:37:30.345054Z",
"structure_string": "Y2 N2\n1.0\n1.703164 -2.949967 0.000000\n1.703164 2.949967 0.000000\n-0.000000 0.000000 5.990339\nY N\n2 2\ndirect\n0.000000 0.000000 0.500000 Y\n0.000000 0.000000 0.000000 Y\n0.333332 0.666666 0.250000 N\n0.666666 0.333332 0.750000 N\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Y",
"N"
],
"chemical_system": "N-Y",
"density": 5.67796106383303,
"density_atomic": 0.06645152756980251,
"volume": 60.19425205535404,
"volume_molar": 9.062456470506532,
"formula_full": "Y2 N2",
"formula_reduced": "YN",
"formula_anonymous": "AB",
"energy_above_hull": 1.8760343499999996,
"spacegroup": 194
},
{
"id": "jvasp-70326",
"created_at": "2022-09-04T14:36:09.222256Z",
"updated_at": "2022-09-04T14:36:09.222284Z",
"structure_string": "Be2 Mo1 Pb1\n1.0\n-1.923852 1.923852 4.065915\n1.923852 -1.923852 4.065915\n1.923852 1.923852 -4.065915\nBe Mo Pb\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.499999 0.499999 0.000000 Be\n0.250000 0.749999 0.499999 Mo\n0.749999 0.250000 0.499999 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Mo",
"Pb"
],
"chemical_system": "Be-Mo-Pb",
"density": 8.859614863823627,
"density_atomic": 0.06645052040427755,
"volume": 60.19516439697457,
"volume_molar": 9.062593826748035,
"formula_full": "Be2 Mo1 Pb1",
"formula_reduced": "Be2MoPb",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.65302723,
"spacegroup": 139
},
{
"id": "jvasp-99408",
"created_at": "2022-09-04T14:36:36.549659Z",
"updated_at": "2022-09-04T14:36:36.549696Z",
"structure_string": "Ce1 Th1\n1.0\n3.334670 -0.011611 5.009016\n1.506229 2.975136 5.009016\n-0.018967 -0.011611 6.017467\nCe Th\n1 1\ndirect\n0.000000 0.000000 0.000000 Ce\n0.499999 0.500001 0.500001 Th\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ce",
"Th"
],
"chemical_system": "Ce-Th",
"density": 10.26620460943434,
"density_atomic": 0.03322523432921282,
"volume": 60.195211271738955,
"volume_molar": 18.12520176781753,
"formula_full": "Ce1 Th1",
"formula_reduced": "CeTh",
"formula_anonymous": "AB",
"energy_above_hull": 1.8567255500000004,
"spacegroup": 166
},
{
"id": "jvasp-36160",
"created_at": "2022-09-04T14:37:30.039923Z",
"updated_at": "2022-09-04T14:37:30.039953Z",
"structure_string": "Cr1 In1 Cu2\n1.0\n3.110650 3.110650 0.000000\n3.110650 -0.000000 -3.110650\n-0.000000 3.110650 -3.110650\nCr In Cu\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.500000 In\n0.750000 0.750000 0.750000 Cu\n0.250000 0.250000 0.250000 Cu\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Cr",
"In",
"Cu"
],
"chemical_system": "Cr-Cu-In",
"density": 8.107262896967647,
"density_atomic": 0.06644717936883483,
"volume": 60.19819107439926,
"volume_molar": 9.0630495036852,
"formula_full": "Cr1 In1 Cu2",
"formula_reduced": "CrInCu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.9192220675,
"spacegroup": 225
},
{
"id": "jvasp-79401",
"created_at": "2022-09-04T14:36:48.878911Z",
"updated_at": "2022-09-04T14:36:48.878933Z",
"structure_string": "Ti2 Ir1 Rh1\n1.0\n-0.000000 3.110652 3.110652\n3.110652 0.000000 3.110652\n3.110652 3.110652 -0.000000\nTi Ir Rh\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.499999 0.499999 0.499999 Ti\n0.250001 0.250001 0.250001 Ir\n0.749999 0.749999 0.749999 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Ir",
"Rh"
],
"chemical_system": "Ir-Rh-Ti",
"density": 10.781573735213264,
"density_atomic": 0.06644705120187182,
"volume": 60.19830718819498,
"volume_molar": 9.06306698502575,
"formula_full": "Ti2 Ir1 Rh1",
"formula_reduced": "Ti2IrRh",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.586870191666668,
"spacegroup": 225
},
{
"id": "jvasp-110293",
"created_at": "2022-09-04T14:37:53.001978Z",
"updated_at": "2022-09-04T14:37:53.001998Z",
"structure_string": "Ag2 S1\n1.0\n3.809847 -0.000000 2.199616\n1.269949 3.591958 2.199616\n-0.000000 -0.000000 4.399232\nAg S\n2 1\ndirect\n0.750001 0.750000 0.750000 Ag\n0.250000 0.250000 0.250000 Ag\n0.000000 0.000000 0.000000 S\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ag",
"S"
],
"chemical_system": "Ag-S",
"density": 6.8349792795954105,
"density_atomic": 0.04983168859534053,
"volume": 60.20265587147919,
"volume_molar": 12.08496225946294,
"formula_full": "Ag2 S1",
"formula_reduced": "Ag2S",
"formula_anonymous": "AB2",
"energy_above_hull": 0.4125474999999999,
"spacegroup": 225
},
{
"id": "jvasp-79607",
"created_at": "2022-09-04T14:37:17.524482Z",
"updated_at": "2022-09-04T14:37:17.524509Z",
"structure_string": "Cr1 In1 Cu2\n1.0\n-3.110740 -3.110740 0.000000\n-3.110740 -0.000000 -3.110740\n-0.000000 -3.110740 -3.110740\nCr In Cu\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.500000 In\n0.750000 0.750000 0.750000 Cu\n0.250000 0.250000 0.250000 Cu\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Cr",
"In",
"Cu"
],
"chemical_system": "Cr-Cu-In",
"density": 8.106559238786087,
"density_atomic": 0.06644141218180774,
"volume": 60.20341634302643,
"volume_molar": 9.06383618626474,
"formula_full": "Cr1 In1 Cu2",
"formula_reduced": "CrInCu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.9192095675000002,
"spacegroup": 225
},
{
"id": "jvasp-107048",
"created_at": "2022-09-04T14:36:59.551157Z",
"updated_at": "2022-09-04T14:36:59.551185Z",
"structure_string": "Mg1 Be4 Cu1\n1.0\n3.809935 -0.000000 2.199667\n1.269978 3.592041 2.199667\n-0.000000 -0.000000 4.399334\nMg Be Cu\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.623644 0.623643 0.129070 Be\n0.623644 0.129070 0.623643 Be\n0.129071 0.623643 0.623643 Be\n0.623644 0.623643 0.623643 Be\n0.250000 0.250000 0.250000 Cu\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Mg",
"Be",
"Cu"
],
"chemical_system": "Be-Cu-Mg",
"density": 3.417225699152124,
"density_atomic": 0.09965646176121631,
"volume": 60.206833495417584,
"volume_molar": 6.042900433721459,
"formula_full": "Mg1 Be4 Cu1",
"formula_reduced": "MgBe4Cu",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.1376582770833332,
"spacegroup": 216
},
{
"id": "jvasp-36606",
"created_at": "2022-09-04T14:37:27.615033Z",
"updated_at": "2022-09-04T14:37:27.615055Z",
"structure_string": "Hg1 Ru1 O3\n1.0\n3.919362 -0.000000 -0.000000\n-0.000000 3.919362 -0.000000\n0.000000 -0.000000 3.919362\nHg Ru O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.500000 Ru\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Hg",
"Ru",
"O"
],
"chemical_system": "Hg-O-Ru",
"density": 9.643766403781965,
"density_atomic": 0.08304698525617855,
"volume": 60.20688149697774,
"volume_molar": 7.25148630190879,
"formula_full": "Hg1 Ru1 O3",
"formula_reduced": "HgRuO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.02519112,
"spacegroup": 221
},
{
"id": "jvasp-118236",
"created_at": "2022-09-04T14:38:31.824614Z",
"updated_at": "2022-09-04T14:38:31.824641Z",
"structure_string": "I1 O3 F1\n1.0\n3.919410 -0.000000 -0.000000\n0.000000 3.919410 -0.000000\n-0.000000 -0.000000 3.919410\nI O F\n1 3 1\ndirect\n0.000000 0.000000 0.000000 I\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.000000 O\n0.500000 0.500000 0.500000 F\n",
"nsites": 5,
"nelements": 3,
"elements": [
"I",
"O",
"F"
],
"chemical_system": "F-I-O",
"density": 5.347702282783177,
"density_atomic": 0.08304393412873294,
"volume": 60.20909356545062,
"volume_molar": 7.251752729663078,
"formula_full": "I1 O3 F1",
"formula_reduced": "IO3F",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.4695354115,
"spacegroup": 221
}
]
}