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=energy_above_hull&page=1275",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=1273",
"results": [
{
"id": "jvasp-1486",
"created_at": "2022-09-04T14:36:47.820611Z",
"updated_at": "2022-09-04T14:36:47.820628Z",
"structure_string": "K1 Pr1 O2\n1.0\n3.525749 0.002032 5.566324\n1.616083 3.133557 5.566324\n0.003331 0.002032 6.588995\nK Pr O\n1 1 2\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 Pr\n0.768123 0.768123 0.768124 O\n0.231876 0.231876 0.231876 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Pr",
"O"
],
"chemical_system": "K-O-Pr",
"density": 4.842741511471371,
"density_atomic": 0.055024561584500524,
"volume": 72.69480909642961,
"volume_molar": 10.944459322500688,
"formula_full": "K1 Pr1 O2",
"formula_reduced": "KPrO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6898537124999999,
"spacegroup": 166
},
{
"id": "jvasp-38830",
"created_at": "2022-09-04T14:37:52.479752Z",
"updated_at": "2022-09-04T14:37:52.479782Z",
"structure_string": "Ce2 Zn1 Pb1\n1.0\n-0.000000 3.785385 3.785385\n3.785385 -0.000000 3.785385\n3.785385 3.785385 0.000000\nCe Zn Pb\n2 1 1\ndirect\n0.500000 0.500000 0.500000 Ce\n0.000000 0.000000 0.000000 Ce\n0.750002 0.750002 0.750002 Zn\n0.250000 0.250000 0.250000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ce",
"Zn",
"Pb"
],
"chemical_system": "Ce-Pb-Zn",
"density": 8.462314760273495,
"density_atomic": 0.03687226573962768,
"volume": 108.4826201960539,
"volume_molar": 16.332440220856384,
"formula_full": "Ce2 Zn1 Pb1",
"formula_reduced": "Ce2ZnPb",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6899605550000001,
"spacegroup": 225
},
{
"id": "jvasp-56386",
"created_at": "2022-09-04T14:36:46.512283Z",
"updated_at": "2022-09-04T14:36:46.512297Z",
"structure_string": "Yb1 Sb1 Pt1\n1.0\n4.045641 0.000000 2.335751\n1.348546 3.814266 2.335751\n0.000000 0.000000 4.671503\nYb Sb Pt\n1 1 1\ndirect\n0.500000 0.500001 0.499999 Yb\n0.000000 0.000000 0.000000 Sb\n0.250000 0.250000 0.250000 Pt\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Yb",
"Sb",
"Pt"
],
"chemical_system": "Pt-Sb-Yb",
"density": 11.28463202745954,
"density_atomic": 0.04161657199519698,
"volume": 72.08666779056752,
"volume_molar": 14.470535345138527,
"formula_full": "Yb1 Sb1 Pt1",
"formula_reduced": "YbSbPt",
"formula_anonymous": "ABC",
"energy_above_hull": 0.6899660666666667,
"spacegroup": 216
},
{
"id": "jvasp-7636",
"created_at": "2022-09-04T14:36:59.275261Z",
"updated_at": "2022-09-04T14:36:59.275285Z",
"structure_string": "Ni2 Hg2\n1.0\n3.172276 -0.000000 0.000000\n-0.000000 4.441273 0.000000\n-0.000000 0.000000 4.441273\nNi Hg\n2 2\ndirect\n0.500001 0.500000 0.000000 Ni\n0.500001 0.000000 0.500000 Ni\n0.000000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ni",
"Hg"
],
"chemical_system": "Hg-Ni",
"density": 13.761567396554739,
"density_atomic": 0.06392549308510986,
"volume": 62.57284546361549,
"volume_molar": 9.420562078390498,
"formula_full": "Ni2 Hg2",
"formula_reduced": "NiHg",
"formula_anonymous": "AB",
"energy_above_hull": 0.6899859,
"spacegroup": 221
},
{
"id": "jvasp-16229",
"created_at": "2022-09-04T14:36:09.017374Z",
"updated_at": "2022-09-04T14:36:09.017387Z",
"structure_string": "Er2 Se4\n1.0\n4.049550 0.000000 0.000000\n0.000000 4.049550 0.000000\n0.000000 0.000000 8.218564\nEr Se\n2 4\ndirect\n0.500000 0.000000 0.726539 Er\n0.000000 0.500000 0.273461 Er\n0.000000 0.000000 0.000000 Se\n0.500000 0.500000 0.000000 Se\n0.000000 0.500000 0.629988 Se\n0.500000 0.000000 0.370012 Se\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Er",
"Se"
],
"chemical_system": "Er-Se",
"density": 8.012944074770486,
"density_atomic": 0.04451862863556849,
"volume": 134.7750410084792,
"volume_molar": 13.52723779813057,
"formula_full": "Er2 Se4",
"formula_reduced": "ErSe2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.6901889111111112,
"spacegroup": 129
},
{
"id": "jvasp-16399",
"created_at": "2022-09-04T14:37:46.884179Z",
"updated_at": "2022-09-04T14:37:46.884210Z",
"structure_string": "Nd3 Mg3 Pt3\n1.0\n3.776402 -6.540921 -0.000000\n3.776402 6.540921 0.000000\n0.000000 -0.000000 4.132375\nNd Mg Pt\n3 3 3\ndirect\n0.588060 0.588060 0.000000 Nd\n-0.000000 0.411940 0.000000 Nd\n0.411940 -0.000000 0.000000 Nd\n0.759034 -0.000000 0.500001 Mg\n0.240965 0.240965 0.500001 Mg\n-0.000000 0.759034 0.500001 Mg\n0.666667 0.333333 0.500001 Pt\n0.000000 0.000000 0.000000 Pt\n0.333333 0.666667 0.500001 Pt\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Nd",
"Mg",
"Pt"
],
"chemical_system": "Mg-Nd-Pt",
"density": 8.873284544572567,
"density_atomic": 0.04408548931423467,
"volume": 204.14880587690357,
"volume_molar": 13.660142721962538,
"formula_full": "Nd3 Mg3 Pt3",
"formula_reduced": "NdMgPt",
"formula_anonymous": "ABC",
"energy_above_hull": 0.6903639833333334,
"spacegroup": 189
},
{
"id": "jvasp-69390",
"created_at": "2022-09-04T14:35:56.208332Z",
"updated_at": "2022-09-04T14:35:56.208363Z",
"structure_string": "Be2 Zn1 Ga1\n1.0\n-1.818037 1.818037 3.711416\n1.818037 -1.818037 3.711416\n1.818037 1.818037 -3.711416\nBe Zn Ga\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.750001 0.500001 Be\n0.750001 0.250000 0.500001 Zn\n0.500000 0.500000 0.000000 Ga\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Zn",
"Ga"
],
"chemical_system": "Be-Ga-Zn",
"density": 5.182974626999558,
"density_atomic": 0.08151826526800086,
"volume": 49.06875761952895,
"volume_molar": 7.387474132578146,
"formula_full": "Be2 Zn1 Ga1",
"formula_reduced": "Be2ZnGa",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.690377578125,
"spacegroup": 119
},
{
"id": "jvasp-18485",
"created_at": "2022-09-04T14:36:50.377536Z",
"updated_at": "2022-09-04T14:36:50.377555Z",
"structure_string": "Ti1 Cl2\n1.0\n1.652805 -2.862742 -0.000000\n1.652805 2.862742 0.000000\n-0.000000 0.000000 6.233617\nTi Cl\n1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.666668 0.333335 0.253818 Cl\n0.333335 0.666668 0.746182 Cl\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ti",
"Cl"
],
"chemical_system": "Cl-Ti",
"density": 3.343435004158088,
"density_atomic": 0.05085659928748779,
"volume": 58.98939453346593,
"volume_molar": 11.841414574256877,
"formula_full": "Ti1 Cl2",
"formula_reduced": "TiCl2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.6904788227777776,
"spacegroup": 164
},
{
"id": "jvasp-5458",
"created_at": "2022-09-04T14:38:02.179691Z",
"updated_at": "2022-09-04T14:38:02.179718Z",
"structure_string": "Ti1 Cl2\n1.0\n1.652818 -2.862765 0.000000\n1.652818 2.862765 -0.000000\n0.000000 0.000000 6.233385\nTi Cl\n1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.666667 0.333334 0.253824 Cl\n0.333334 0.666667 0.746177 Cl\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ti",
"Cl"
],
"chemical_system": "Cl-Ti",
"density": 3.343506282410083,
"density_atomic": 0.05085768349265257,
"volume": 58.98813697311658,
"volume_molar": 11.841162134075613,
"formula_full": "Ti1 Cl2",
"formula_reduced": "TiCl2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.6904788227777776,
"spacegroup": 164
},
{
"id": "jvasp-117308",
"created_at": "2022-09-04T14:38:26.272999Z",
"updated_at": "2022-09-04T14:38:26.273015Z",
"structure_string": "Dy8 Sn4 Au8\n1.0\n7.908904 -0.000000 0.000000\n0.000000 7.908904 0.000000\n-0.000000 -0.000000 7.504899\nDy Sn Au\n8 4 8\ndirect\n0.837679 0.162320 0.500000 Dy\n0.162320 0.837679 0.500000 Dy\n0.337679 0.337679 -0.000000 Dy\n0.662320 0.662320 -0.000000 Dy\n0.677499 0.677499 0.500000 Dy\n0.322501 0.322501 0.500000 Dy\n0.177499 0.822501 -0.000000 Dy\n0.822501 0.177499 -0.000000 Dy\n-0.000000 0.500000 0.250000 Sn\n0.500000 0.000000 0.750000 Sn\n-0.000000 0.500000 0.750000 Sn\n0.500000 0.000000 0.250000 Sn\n0.627970 0.372029 0.265645 Au\n0.372029 0.627970 0.265645 Au\n0.127970 0.127970 0.765645 Au\n0.872029 0.872029 0.765645 Au\n0.372029 0.627970 0.734355 Au\n0.627970 0.372029 0.734355 Au\n0.872029 0.872029 0.234355 Au\n0.127970 0.127970 0.234355 Au\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Dy",
"Sn",
"Au"
],
"chemical_system": "Au-Dy-Sn",
"density": 11.851973285985547,
"density_atomic": 0.04260421186464141,
"volume": 469.43715479451544,
"volume_molar": 14.135083120732403,
"formula_full": "Dy8 Sn4 Au8",
"formula_reduced": "Dy2SnAu2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.6906439679999998,
"spacegroup": 136
},
{
"id": "jvasp-49988",
"created_at": "2022-09-04T14:38:35.693860Z",
"updated_at": "2022-09-04T14:38:35.693881Z",
"structure_string": "Cd2 Cu4 O6\n1.0\n3.653466 0.000000 0.000000\n0.000000 4.035939 0.000000\n0.000000 0.000000 9.929817\nCd Cu O\n2 4 6\ndirect\n0.327313 0.000000 0.500000 Cd\n0.672688 0.500000 0.000000 Cd\n0.154037 0.000000 0.835578 Cu\n0.154037 0.000000 0.164422 Cu\n0.845964 0.500000 0.335578 Cu\n0.845964 0.500000 0.664422 Cu\n0.422947 0.000000 0.000000 O\n0.885568 0.000000 0.330547 O\n0.885568 0.000000 0.669453 O\n0.577054 0.500000 0.500000 O\n0.114433 0.500000 0.830547 O\n0.114433 0.500000 0.169453 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Cd",
"Cu",
"O"
],
"chemical_system": "Cd-Cu-O",
"density": 6.521204902887605,
"density_atomic": 0.08195780858701678,
"volume": 146.41679916635744,
"volume_molar": 7.34785478507046,
"formula_full": "Cd2 Cu4 O6",
"formula_reduced": "CdCu2O3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.6906585249999997,
"spacegroup": 59
},
{
"id": "jvasp-19854",
"created_at": "2022-09-04T14:37:00.273278Z",
"updated_at": "2022-09-04T14:37:00.273292Z",
"structure_string": "Al1 Pd1\n1.0\n3.078511 0.000000 0.000000\n0.000000 3.078511 -0.000000\n0.000000 0.000000 3.078511\nAl Pd\n1 1\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Pd\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Al",
"Pd"
],
"chemical_system": "Al-Pd",
"density": 7.592552556861926,
"density_atomic": 0.06855006429576736,
"volume": 29.175756734096755,
"volume_molar": 8.785025691612429,
"formula_full": "Al1 Pd1",
"formula_reduced": "AlPd",
"formula_anonymous": "AB",
"energy_above_hull": 0.6908192500000001,
"spacegroup": 221
}
]
}