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=formula_anonymous&page=4351",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_anonymous&page=4349",
"results": [
{
"id": "jvasp-5353",
"created_at": "2022-09-04T14:36:00.776854Z",
"updated_at": "2022-09-04T14:36:00.776889Z",
"structure_string": "Al2 P2 S8\n1.0\n5.695531 0.000000 0.000000\n0.000000 5.697591 0.000000\n0.000000 0.000000 9.367187\nAl P S\n2 2 8\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.000000 0.500000 Al\n0.000000 0.500000 0.000000 P\n0.000000 0.000000 0.500000 P\n0.212321 0.275747 0.117277 S\n0.212321 0.724252 0.882723 S\n0.787679 0.275747 0.882723 S\n0.787679 0.724252 0.117277 S\n0.774380 0.791612 0.619776 S\n0.774380 0.208388 0.380224 S\n0.225620 0.791612 0.380224 S\n0.225620 0.208388 0.619776 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Al",
"P",
"S"
],
"chemical_system": "Al-P-S",
"density": 2.034509747665225,
"density_atomic": 0.03947722032332116,
"volume": 303.9727696559983,
"volume_molar": 15.254723383962322,
"formula_full": "Al2 P2 S8",
"formula_reduced": "AlPS4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.160674716666667,
"spacegroup": 16
},
{
"id": "jvasp-65079",
"created_at": "2022-09-04T14:36:05.250635Z",
"updated_at": "2022-09-04T14:36:05.250664Z",
"structure_string": "Be1 Nb4 Pb1\n1.0\n0.000000 3.887222 3.887222\n3.887222 0.000000 3.887222\n3.887222 3.887222 0.000000\nBe Nb Pb\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.120400 0.626533 0.626533 Nb\n0.626533 0.626533 0.626533 Nb\n0.626533 0.120400 0.626533 Nb\n0.626533 0.626533 0.120400 Nb\n0.250000 0.250000 0.250000 Pb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Be",
"Nb",
"Pb"
],
"chemical_system": "Be-Nb-Pb",
"density": 8.309186497883216,
"density_atomic": 0.0510743940428339,
"volume": 117.47569623573132,
"volume_molar": 11.790919643509602,
"formula_full": "Be1 Nb4 Pb1",
"formula_reduced": "BeNb4Pb",
"formula_anonymous": "ABC4",
"energy_above_hull": 4.554777420000001,
"spacegroup": 216
},
{
"id": "jvasp-64752",
"created_at": "2022-09-04T14:36:04.597932Z",
"updated_at": "2022-09-04T14:36:04.597953Z",
"structure_string": "Ba4 Mo1 Br1\n1.0\n0.000000 5.072560 5.072560\n5.072560 0.000000 5.072560\n5.072560 5.072560 0.000000\nBa Mo Br\n4 1 1\ndirect\n0.123762 0.625413 0.625413 Ba\n0.625413 0.625413 0.625413 Ba\n0.625413 0.123762 0.625413 Ba\n0.625413 0.625413 0.123762 Ba\n0.000000 0.000000 0.000000 Mo\n0.250000 0.250000 0.250000 Br\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Mo",
"Br"
],
"chemical_system": "Ba-Br-Mo",
"density": 4.612820687319478,
"density_atomic": 0.02298474429301252,
"volume": 261.0427126580665,
"volume_molar": 26.200599333318504,
"formula_full": "Ba4 Mo1 Br1",
"formula_reduced": "Ba4MoBr",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.0338673141666663,
"spacegroup": 216
},
{
"id": "jvasp-64559",
"created_at": "2022-09-04T14:36:05.335487Z",
"updated_at": "2022-09-04T14:36:05.335506Z",
"structure_string": "Ba4 Zr1 Sb1\n1.0\n0.000000 4.986411 4.986411\n4.986411 0.000000 4.986411\n4.986411 4.986411 -0.000000\nBa Zr Sb\n4 1 1\ndirect\n0.127157 0.624280 0.624280 Ba\n0.624280 0.624280 0.624280 Ba\n0.624280 0.127157 0.624280 Ba\n0.624280 0.624280 0.127157 Ba\n0.000000 0.000000 0.000000 Zr\n0.250000 0.250000 0.250000 Sb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Zr",
"Sb"
],
"chemical_system": "Ba-Sb-Zr",
"density": 5.1047708072021285,
"density_atomic": 0.02419675008458729,
"volume": 247.96718480891556,
"volume_molar": 24.88822151300372,
"formula_full": "Ba4 Zr1 Sb1",
"formula_reduced": "Ba4ZrSb",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.99514908,
"spacegroup": 216
},
{
"id": "jvasp-65754",
"created_at": "2022-09-04T14:36:03.536153Z",
"updated_at": "2022-09-04T14:36:03.536176Z",
"structure_string": "Ba1 Zr4 Pd1\n1.0\n0.000000 4.206919 4.206919\n4.206919 -0.000000 4.206919\n4.206919 4.206919 0.000000\nBa Zr Pd\n1 4 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.626217 0.121351 0.626217 Zr\n0.121351 0.626217 0.626217 Zr\n0.626217 0.626217 0.626217 Zr\n0.626217 0.626217 0.121351 Zr\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Zr",
"Pd"
],
"chemical_system": "Ba-Pd-Zr",
"density": 6.787178682471426,
"density_atomic": 0.040292925806989545,
"volume": 148.9095140109977,
"volume_molar": 14.945900897957005,
"formula_full": "Ba1 Zr4 Pd1",
"formula_reduced": "BaZr4Pd",
"formula_anonymous": "ABC4",
"energy_above_hull": 3.529088278333333,
"spacegroup": 216
},
{
"id": "jvasp-64275",
"created_at": "2022-09-04T14:36:00.386368Z",
"updated_at": "2022-09-04T14:36:00.386396Z",
"structure_string": "Ba4 Sb1 Pb1\n1.0\n0.000000 4.973956 4.973956\n4.973956 0.000000 4.973956\n4.973956 4.973956 0.000000\nBa Sb Pb\n4 1 1\ndirect\n0.123087 0.625638 0.625638 Ba\n0.625638 0.625638 0.625638 Ba\n0.625638 0.123087 0.625638 Ba\n0.625638 0.625638 0.123087 Ba\n0.000000 0.000000 0.000000 Sb\n0.250000 0.250000 0.250000 Pb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Sb",
"Pb"
],
"chemical_system": "Ba-Pb-Sb",
"density": 5.925709319448013,
"density_atomic": 0.024378974734517396,
"volume": 246.11371336731384,
"volume_molar": 24.702190414404296,
"formula_full": "Ba4 Sb1 Pb1",
"formula_reduced": "Ba4SbPb",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.1616617999999999,
"spacegroup": 216
},
{
"id": "jvasp-64614",
"created_at": "2022-09-04T14:36:00.781228Z",
"updated_at": "2022-09-04T14:36:00.781255Z",
"structure_string": "Ba4 Co1 Se1\n1.0\n0.000000 4.834658 4.834658\n4.834658 -0.000000 4.834658\n4.834658 4.834658 0.000000\nBa Co Se\n4 1 1\ndirect\n0.124671 0.625110 0.625110 Ba\n0.625110 0.625110 0.625110 Ba\n0.625110 0.124671 0.625110 Ba\n0.625110 0.625110 0.124671 Ba\n0.250000 0.250000 0.250000 Co\n0.000000 0.000000 0.000000 Se\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Co",
"Se"
],
"chemical_system": "Ba-Co-Se",
"density": 5.049004227118426,
"density_atomic": 0.026547521499042014,
"volume": 226.00979907734566,
"volume_molar": 22.6843803863849,
"formula_full": "Ba4 Co1 Se1",
"formula_reduced": "Ba4CoSe",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.780029691111111,
"spacegroup": 216
},
{
"id": "jvasp-64905",
"created_at": "2022-09-04T14:36:05.290253Z",
"updated_at": "2022-09-04T14:36:05.290278Z",
"structure_string": "Be1 Co4 Tc1\n1.0\n-0.000000 3.221973 3.221973\n3.221973 0.000000 3.221973\n3.221973 3.221973 0.000000\nBe Co Tc\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.122410 0.625863 0.625863 Co\n0.625863 0.625863 0.625863 Co\n0.625863 0.122410 0.625863 Co\n0.625863 0.625863 0.122410 Co\n0.250000 0.250000 0.250000 Tc\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Be",
"Co",
"Tc"
],
"chemical_system": "Be-Co-Tc",
"density": 8.507941429003175,
"density_atomic": 0.0896923833663797,
"volume": 66.895312342085,
"volume_molar": 6.7142164518033525,
"formula_full": "Be1 Co4 Tc1",
"formula_reduced": "BeCo4Tc",
"formula_anonymous": "ABC4",
"energy_above_hull": 3.8128368666666654,
"spacegroup": 216
},
{
"id": "jvasp-70928",
"created_at": "2022-09-04T14:36:01.144523Z",
"updated_at": "2022-09-04T14:36:01.144554Z",
"structure_string": "Sr1 Be1 Si4\n1.0\n-0.000000 3.786790 3.786790\n3.786790 0.000000 3.786790\n3.786790 3.786790 -0.000000\nSr Be Si\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Sr\n0.000000 0.000000 0.000000 Be\n0.116119 0.627960 0.627960 Si\n0.627960 0.627960 0.627960 Si\n0.627960 0.116119 0.627960 Si\n0.627960 0.627960 0.116119 Si\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sr",
"Be",
"Si"
],
"chemical_system": "Be-Si-Sr",
"density": 3.195200172576417,
"density_atomic": 0.05524685877879713,
"volume": 108.60345968308167,
"volume_molar": 10.900422020575046,
"formula_full": "Sr1 Be1 Si4",
"formula_reduced": "SrBeSi4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.615734468333333,
"spacegroup": 216
},
{
"id": "jvasp-66077",
"created_at": "2022-09-04T14:36:08.168711Z",
"updated_at": "2022-09-04T14:36:08.168745Z",
"structure_string": "Ba4 Mn1 Si1\n1.0\n-0.000000 4.865662 4.865662\n4.865662 -0.000000 4.865662\n4.865662 4.865662 0.000000\nBa Mn Si\n4 1 1\ndirect\n0.123589 0.625470 0.625470 Ba\n0.625470 0.625470 0.625470 Ba\n0.625470 0.123589 0.625470 Ba\n0.625470 0.625470 0.123589 Ba\n0.250000 0.250000 0.250000 Mn\n0.000000 0.000000 0.000000 Si\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Mn",
"Si"
],
"chemical_system": "Ba-Mn-Si",
"density": 4.557620285015723,
"density_atomic": 0.02604326585966636,
"volume": 230.38585223262265,
"volume_molar": 23.1236005209569,
"formula_full": "Ba4 Mn1 Si1",
"formula_reduced": "Ba4MnSi",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.3775432868965514,
"spacegroup": 216
},
{
"id": "jvasp-50361",
"created_at": "2022-09-04T14:36:03.479692Z",
"updated_at": "2022-09-04T14:36:03.479735Z",
"structure_string": "Tb4 Ta4 O16\n1.0\n0.000000 7.545473 -0.045020\n5.356659 0.000000 0.000000\n0.000000 -1.132597 -7.521419\nTb Ta O\n4 4 16\ndirect\n0.353975 0.277793 0.608451 Tb\n0.353975 0.222207 0.108451 Tb\n0.646024 0.777793 0.891549 Tb\n0.646024 0.722207 0.391549 Tb\n0.164253 0.771638 0.813202 Ta\n0.164253 0.728362 0.313202 Ta\n0.835746 0.271638 0.686798 Ta\n0.835746 0.228362 0.186798 Ta\n0.832476 0.371286 0.436622 O\n0.832476 0.128714 0.936622 O\n0.671514 0.498296 0.120526 O\n0.611176 0.009959 0.169352 O\n0.671513 0.001704 0.620526 O\n0.611175 0.490041 0.669352 O\n0.388824 0.509959 0.330648 O\n0.167523 0.871286 0.063378 O\n0.388824 0.990041 0.830648 O\n0.328486 0.501704 0.879474 O\n0.932929 0.598850 0.810494 O\n0.167523 0.628714 0.563378 O\n0.067071 0.401150 0.189506 O\n0.067071 0.098850 0.689506 O\n0.328486 0.998296 0.379474 O\n0.932929 0.901150 0.310494 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Tb",
"Ta",
"O"
],
"chemical_system": "O-Ta-Tb",
"density": 8.816197398207866,
"density_atomic": 0.07887529047586991,
"volume": 304.27780177040677,
"volume_molar": 7.635015635019862,
"formula_full": "Tb4 Ta4 O16",
"formula_reduced": "TbTaO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.7061536000000004,
"spacegroup": 14
},
{
"id": "jvasp-62921",
"created_at": "2022-09-04T14:36:06.228407Z",
"updated_at": "2022-09-04T14:36:06.228434Z",
"structure_string": "Li2 B2 H8\n1.0\n2.093325 -3.625662 0.000000\n2.093325 3.625662 0.000000\n0.000000 0.000000 7.180402\nLi B H\n2 2 8\ndirect\n0.333319 0.666683 0.110408 Li\n0.666683 0.333319 0.610408 Li\n0.333340 0.666662 0.536370 B\n0.666662 0.333340 0.036370 B\n0.333272 0.666731 0.366686 H\n0.666731 0.333272 0.866686 H\n0.174720 0.349364 0.593815 H\n0.650639 0.825283 0.593815 H\n0.174720 0.825282 0.593904 H\n0.825283 0.650639 0.093815 H\n0.349364 0.174720 0.093815 H\n0.825282 0.174720 0.093904 H\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Li",
"B",
"H"
],
"chemical_system": "B-H-Li",
"density": 0.6637571416286367,
"density_atomic": 0.11009776839418724,
"volume": 108.99403480219456,
"volume_molar": 5.469811829826288,
"formula_full": "Li2 B2 H8",
"formula_reduced": "LiBH4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.801768763888889,
"spacegroup": 186
}
]
}