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=updated_at&page=1098",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=updated_at&page=1096",
"results": [
{
"id": "jvasp-67631",
"created_at": "2022-09-04T14:36:17.260518Z",
"updated_at": "2022-09-04T14:36:17.260537Z",
"structure_string": "Be1 Sn1 Pt1\n1.0\n-1.527000 1.527000 5.584060\n1.527000 -1.527000 5.584060\n1.527000 1.527000 -5.584060\nBe Sn Pt\n1 1 1\ndirect\n0.951864 0.951864 0.000000 Be\n0.667188 0.667188 0.000000 Sn\n0.380949 0.380949 0.000000 Pt\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Be",
"Sn",
"Pt"
],
"chemical_system": "Be-Pt-Sn",
"density": 10.292071607426369,
"density_atomic": 0.05760140983298157,
"volume": 52.08205855895999,
"volume_molar": 10.454849590420663,
"formula_full": "Be1 Sn1 Pt1",
"formula_reduced": "BeSnPt",
"formula_anonymous": "ABC",
"energy_above_hull": 1.3808130666666665,
"spacegroup": 107
},
{
"id": "jvasp-91416",
"created_at": "2022-09-04T14:36:17.267027Z",
"updated_at": "2022-09-04T14:36:17.267050Z",
"structure_string": "Mn16 O24\n1.0\n7.729958 0.000000 -2.732953\n-3.864980 6.694341 -2.732953\n-0.000000 -0.000000 8.198860\nMn O\n16 24\ndirect\n0.500000 0.500000 0.500000 Mn\n0.965466 0.250000 0.215466 Mn\n0.750000 0.284535 0.534535 Mn\n0.284535 0.534535 0.750000 Mn\n0.250000 0.215465 0.965466 Mn\n0.534535 0.750000 0.284535 Mn\n0.034535 0.750000 0.784535 Mn\n0.250000 0.715465 0.465466 Mn\n0.215465 0.965465 0.250000 Mn\n0.715465 0.465465 0.250000 Mn\n0.750000 0.784535 0.034535 Mn\n0.465465 0.250000 0.715466 Mn\n-0.000000 0.500000 0.000000 Mn\n0.500000 -0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.784535 0.034535 0.750000 Mn\n0.015975 0.954794 0.727491 O\n0.288484 0.772509 0.727304 O\n0.484025 0.211516 0.938819 O\n0.954794 0.727490 0.015975 O\n0.772697 0.545206 0.561181 O\n0.211516 0.938819 0.484026 O\n0.545206 0.561181 0.772697 O\n0.727491 0.015975 0.954794 O\n0.561181 0.772696 0.545207 O\n0.727304 0.288484 0.772510 O\n0.061181 0.515975 0.788484 O\n0.515975 0.788484 0.061181 O\n0.272510 0.984025 0.045206 O\n0.227303 0.454794 0.438819 O\n0.454794 0.438819 0.227304 O\n0.788485 0.061181 0.515975 O\n0.272697 0.711516 0.227491 O\n0.045206 0.272510 0.984025 O\n0.772510 0.727303 0.288485 O\n0.711516 0.227490 0.272697 O\n0.984025 0.045206 0.272510 O\n0.438819 0.227303 0.454794 O\n0.227490 0.272697 0.711516 O\n0.938819 0.484025 0.211516 O\n",
"nsites": 40,
"nelements": 2,
"elements": [
"Mn",
"O"
],
"chemical_system": "Mn-O",
"density": 4.943244127443794,
"density_atomic": 0.09428043019796768,
"volume": 424.26620154372443,
"volume_molar": 6.387476963517095,
"formula_full": "Mn16 O24",
"formula_reduced": "Mn2O3",
"formula_anonymous": "A2B3",
"energy_above_hull": 2.991132996551724,
"spacegroup": 206
},
{
"id": "jvasp-68444",
"created_at": "2022-09-04T14:36:17.267241Z",
"updated_at": "2022-09-04T14:36:17.267256Z",
"structure_string": "Sr2 Be1 Cl1\n1.0\n-2.153293 2.153293 6.756529\n2.153293 -2.153293 6.756529\n2.153293 2.153293 -6.756529\nSr Be Cl\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.250000 0.749999 0.499999 Sr\n0.500000 0.500000 0.000000 Be\n0.749999 0.250000 0.499999 Cl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Be",
"Cl"
],
"chemical_system": "Be-Cl-Sr",
"density": 2.9113840888626497,
"density_atomic": 0.031920530296120506,
"volume": 125.31120137706937,
"volume_molar": 18.866042337435438,
"formula_full": "Sr2 Be1 Cl1",
"formula_reduced": "Sr2BeCl",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0944356968749999,
"spacegroup": 119
},
{
"id": "jvasp-92000",
"created_at": "2022-09-04T14:36:17.270327Z",
"updated_at": "2022-09-04T14:36:17.270352Z",
"structure_string": "U2 Pt6\n1.0\n0.000000 0.000000 -5.013645\n-2.886604 -5.000078 -0.000000\n-2.886604 5.000078 0.000000\nU Pt\n2 6\ndirect\n0.750001 0.666679 0.333319 U\n0.250000 0.333319 0.666679 U\n0.750001 0.165074 0.330109 Pt\n0.750001 0.165066 0.834933 Pt\n0.750001 0.669889 0.834924 Pt\n0.250000 0.834924 0.669889 Pt\n0.250000 0.834933 0.165066 Pt\n0.250000 0.330109 0.165074 Pt\n",
"nsites": 8,
"nelements": 2,
"elements": [
"U",
"Pt"
],
"chemical_system": "Pt-U",
"density": 18.892071240835225,
"density_atomic": 0.055276740134579,
"volume": 144.72633481140304,
"volume_molar": 10.894529498914466,
"formula_full": "U2 Pt6",
"formula_reduced": "UPt3",
"formula_anonymous": "AB3",
"energy_above_hull": 3.2565500500000004,
"spacegroup": 194
},
{
"id": "jvasp-74684",
"created_at": "2022-09-04T14:36:17.270758Z",
"updated_at": "2022-09-04T14:36:17.270788Z",
"structure_string": "Sc2 Ta1 Be1\n1.0\n4.928108 0.000000 -0.000000\n0.000000 4.928108 -0.000000\n0.000000 -0.000000 3.041955\nSc Ta Be\n2 1 1\ndirect\n0.500000 0.000000 0.000000 Sc\n0.000000 0.500000 0.000000 Sc\n0.500000 0.500000 0.500001 Ta\n0.000000 0.000000 0.500001 Be\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Ta",
"Be"
],
"chemical_system": "Be-Sc-Ta",
"density": 6.29064464693505,
"density_atomic": 0.05414355559539837,
"volume": 73.8776749331172,
"volume_molar": 11.122543936718886,
"formula_full": "Sc2 Ta1 Be1",
"formula_reduced": "Sc2TaBe",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.5053664499999995,
"spacegroup": 123
},
{
"id": "jvasp-61305",
"created_at": "2022-09-04T14:36:17.277896Z",
"updated_at": "2022-09-04T14:36:17.277917Z",
"structure_string": "Mg4 B2 Br2 N4\n1.0\n3.317800 4.600232 0.006977\n-3.317800 4.600232 0.006977\n0.000000 2.166813 6.120650\nMg B Br N\n4 2 2 4\ndirect\n0.345895 0.142988 0.335442 Mg\n0.857011 0.654104 0.164559 Mg\n0.654104 0.857011 0.664559 Mg\n0.142988 0.345895 0.835442 Mg\n0.112150 0.887849 0.750000 B\n0.887849 0.112150 0.250000 B\n0.630915 0.369084 0.750000 Br\n0.369084 0.630915 0.250000 Br\n0.266937 0.042307 0.678819 N\n0.957692 0.733062 0.821182 N\n0.733062 0.957692 0.321182 N\n0.042307 0.266937 0.178819 N\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Mg",
"B",
"Br",
"N"
],
"chemical_system": "B-Br-Mg-N",
"density": 2.9761202316299347,
"density_atomic": 0.06426241063528615,
"volume": 186.7343581009528,
"volume_molar": 9.3711715767682,
"formula_full": "Mg4 B2 Br2 N4",
"formula_reduced": "Mg2BBrN2",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 2.192758548055555,
"spacegroup": 15
},
{
"id": "jvasp-69138",
"created_at": "2022-09-04T14:36:17.278735Z",
"updated_at": "2022-09-04T14:36:17.278762Z",
"structure_string": "Ba2 Sc1 Tl1\n1.0\n0.000000 4.227989 4.227989\n4.227989 0.000000 4.227989\n4.227989 4.227989 0.000000\nBa Sc Tl\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Sc",
"Tl"
],
"chemical_system": "Ba-Sc-Tl",
"density": 5.75629730574798,
"density_atomic": 0.026462352450170794,
"volume": 151.15814089212552,
"volume_molar": 22.757390036807294,
"formula_full": "Ba2 Sc1 Tl1",
"formula_reduced": "Ba2ScTl",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.3785574475,
"spacegroup": 225
},
{
"id": "jvasp-71223",
"created_at": "2022-09-04T14:36:17.279035Z",
"updated_at": "2022-09-04T14:36:17.279063Z",
"structure_string": "Hf1 Mg1 Be2\n1.0\n4.293753 0.000000 0.000000\n0.000000 4.293753 0.000000\n0.000000 0.000000 3.216135\nHf Mg Be\n1 1 2\ndirect\n0.500000 0.500000 0.500001 Hf\n0.000000 0.000000 0.500001 Mg\n0.500000 0.000000 0.000000 Be\n0.000000 0.500000 0.000000 Be\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hf",
"Mg",
"Be"
],
"chemical_system": "Be-Hf-Mg",
"density": 6.184119400041053,
"density_atomic": 0.06746081836657021,
"volume": 59.29367737973032,
"volume_molar": 8.9268717839691,
"formula_full": "Hf1 Mg1 Be2",
"formula_reduced": "HfMgBe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.0948585625,
"spacegroup": 123
},
{
"id": "jvasp-68389",
"created_at": "2022-09-04T14:36:17.282189Z",
"updated_at": "2022-09-04T14:36:17.282216Z",
"structure_string": "Be2 In1 P1\n1.0\n3.272383 0.000000 0.000000\n0.000000 3.272383 -0.000000\n-0.000000 0.000000 5.859393\nBe In P\n2 1 1\ndirect\n0.000000 -0.000000 0.916323 Be\n0.499999 0.499999 0.237343 Be\n0.000000 -0.000000 0.461663 In\n0.499999 0.499999 0.884669 P\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"In",
"P"
],
"chemical_system": "Be-In-P",
"density": 4.335356994453426,
"density_atomic": 0.06374984126891509,
"volume": 62.74525426858484,
"volume_molar": 9.446518830685218,
"formula_full": "Be2 In1 P1",
"formula_reduced": "Be2InP",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.6183369175000002,
"spacegroup": 99
},
{
"id": "jvasp-94212",
"created_at": "2022-09-04T14:36:17.282674Z",
"updated_at": "2022-09-04T14:36:17.282701Z",
"structure_string": "Cr4 Ge2 C2\n1.0\n-1.473798 -2.552696 0.000000\n-1.473798 2.552696 0.000000\n0.000000 0.000000 -11.953023\nCr Ge C\n4 2 2\ndirect\n0.666666 0.333335 0.585525 Cr\n0.333335 0.666666 0.414475 Cr\n0.333335 0.666666 0.085525 Cr\n0.666666 0.333335 0.914475 Cr\n0.666680 0.333321 0.250000 Ge\n0.333321 0.666680 0.750000 Ge\n0.000000 0.000000 0.500000 C\n0.000000 0.000000 0.000000 C\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Cr",
"Ge",
"C"
],
"chemical_system": "C-Cr-Ge",
"density": 6.965860064983349,
"density_atomic": 0.08894984086925993,
"volume": 89.93832840868758,
"volume_molar": 6.770265917452794,
"formula_full": "Cr4 Ge2 C2",
"formula_reduced": "Cr2GeC",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.0732451875,
"spacegroup": 194
},
{
"id": "jvasp-94313",
"created_at": "2022-09-04T14:36:17.289984Z",
"updated_at": "2022-09-04T14:36:17.290018Z",
"structure_string": "Ce2 Ni2 Sn2\n1.0\n-2.239569 -3.879306 0.000000\n-2.239569 3.879306 -0.000000\n0.000000 0.000000 -7.620915\nCe Ni Sn\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Ce\n0.000000 0.000000 0.000000 Ce\n0.666632 0.333369 0.750000 Ni\n0.333369 0.666632 0.250000 Ni\n0.666690 0.333310 0.250000 Sn\n0.333310 0.666690 0.750000 Sn\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ce",
"Ni",
"Sn"
],
"chemical_system": "Ce-Ni-Sn",
"density": 7.9633125108362135,
"density_atomic": 0.04531016580974013,
"volume": 132.42061450832753,
"volume_molar": 13.29092633491411,
"formula_full": "Ce2 Ni2 Sn2",
"formula_reduced": "CeNiSn",
"formula_anonymous": "ABC",
"energy_above_hull": 0.8891532,
"spacegroup": 194
},
{
"id": "jvasp-72353",
"created_at": "2022-09-04T14:36:17.295868Z",
"updated_at": "2022-09-04T14:36:17.295914Z",
"structure_string": "Be1 Nb2 Sn1\n1.0\n3.980743 0.000000 -0.000000\n0.000000 3.980743 0.000000\n0.000000 0.000000 4.314647\nBe Nb Sn\n1 2 1\ndirect\n0.000000 0.000000 0.500000 Be\n0.000000 0.500000 0.000000 Nb\n0.500000 0.000000 0.000000 Nb\n0.500000 0.500000 0.500000 Sn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Nb",
"Sn"
],
"chemical_system": "Be-Nb-Sn",
"density": 7.614852496565664,
"density_atomic": 0.05850411864691405,
"volume": 68.37125475115572,
"volume_molar": 10.293533001231962,
"formula_full": "Be1 Nb2 Sn1",
"formula_reduced": "BeNb2Sn",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.32336165,
"spacegroup": 123
}
]
}