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=created_at&page=1159",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=created_at&page=1157",
"results": [
{
"id": "jvasp-96886",
"created_at": "2022-09-04T14:36:19.337594Z",
"updated_at": "2022-09-04T14:36:19.337624Z",
"structure_string": "Y4 Si4 O14\n1.0\n4.708312 0.511039 0.000000\n-0.011775 5.614642 0.000000\n0.000000 0.000000 10.901747\nY Si O\n4 4 14\ndirect\n0.112854 0.092793 0.150420 Y\n0.887147 0.907207 0.849580 Y\n0.112854 0.592793 0.349580 Y\n0.887146 0.407207 0.650420 Y\n0.640833 0.143787 0.387617 Si\n0.359167 0.356213 0.887618 Si\n0.359168 0.856213 0.612383 Si\n0.640833 0.643787 0.112383 Si\n0.382415 0.752210 0.203112 O\n0.617586 0.747789 0.703112 O\n0.617585 0.247790 0.796888 O\n0.794381 0.867415 0.051465 O\n0.500000 0.500000 0.000000 O\n0.879069 0.459171 0.182511 O\n0.120931 0.040829 0.682511 O\n0.120931 0.540829 0.817490 O\n0.879070 0.959171 0.317489 O\n0.794380 0.367416 0.448535 O\n0.205620 0.132585 0.948535 O\n0.205620 0.632584 0.551465 O\n0.500000 0.000000 0.500000 O\n0.382415 0.252210 0.296888 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Y",
"Si",
"O"
],
"chemical_system": "O-Si-Y",
"density": 3.9860794865605063,
"density_atomic": 0.07632036364283493,
"volume": 288.2585846020847,
"volume_molar": 7.890608053418738,
"formula_full": "Y4 Si4 O14",
"formula_reduced": "Y2Si2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 2.8732238727272725,
"spacegroup": 14
},
{
"id": "jvasp-65209",
"created_at": "2022-09-04T14:36:19.338405Z",
"updated_at": "2022-09-04T14:36:19.338424Z",
"structure_string": "Be1 Nb1 In4\n1.0\n0.000000 4.060073 4.060073\n4.060073 -0.000000 4.060073\n4.060073 4.060073 -0.000000\nBe Nb In\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 Nb\n0.124713 0.625096 0.625096 In\n0.625096 0.625096 0.625096 In\n0.625096 0.124713 0.625096 In\n0.625096 0.625096 0.124713 In\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Be",
"Nb",
"In"
],
"chemical_system": "Be-In-Nb",
"density": 6.9619024486451035,
"density_atomic": 0.044824941141064376,
"volume": 133.85405194661521,
"volume_molar": 13.43479903531448,
"formula_full": "Be1 Nb1 In4",
"formula_reduced": "BeNbIn4",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.12668923,
"spacegroup": 216
},
{
"id": "jvasp-68807",
"created_at": "2022-09-04T14:36:19.342138Z",
"updated_at": "2022-09-04T14:36:19.342160Z",
"structure_string": "Be1 Tl2 Cr1\n1.0\n-2.041366 2.041366 4.663198\n2.041366 -2.041366 4.663198\n2.041366 2.041366 -4.663198\nBe Tl Cr\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Be\n0.000000 0.000000 0.000000 Tl\n0.250000 0.750001 0.500001 Tl\n0.750001 0.250000 0.500001 Cr\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Tl",
"Cr"
],
"chemical_system": "Be-Cr-Tl",
"density": 10.035829814486545,
"density_atomic": 0.051460545995840164,
"volume": 77.72945122508692,
"volume_molar": 11.702442411875698,
"formula_full": "Be1 Tl2 Cr1",
"formula_reduced": "BeTl2Cr",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.534644675,
"spacegroup": 119
},
{
"id": "jvasp-66362",
"created_at": "2022-09-04T14:36:19.345488Z",
"updated_at": "2022-09-04T14:36:19.345520Z",
"structure_string": "Ba1 Tl1 Br1\n1.0\n0.000000 3.991120 3.991120\n3.991120 0.000000 3.991120\n3.991120 3.991120 -0.000000\nBa Tl Br\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Br\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Tl",
"Br"
],
"chemical_system": "Ba-Br-Tl",
"density": 5.506175845425353,
"density_atomic": 0.02359428937912389,
"volume": 127.14941110514586,
"volume_molar": 25.523721707543185,
"formula_full": "Ba1 Tl1 Br1",
"formula_reduced": "BaTlBr",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0056428855555555,
"spacegroup": 216
},
{
"id": "jvasp-21213",
"created_at": "2022-09-04T14:36:19.346101Z",
"updated_at": "2022-09-04T14:36:19.346129Z",
"structure_string": "Hg4\n1.0\n3.503973 0.000000 0.000000\n0.000000 6.072665 0.000000\n0.000000 -0.000000 5.521826\nHg\n4\ndirect\n0.000000 0.166188 0.750001 Hg\n0.500000 0.333812 0.250000 Hg\n0.500000 0.666188 0.750001 Hg\n0.000000 0.833813 0.250000 Hg\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Hg"
],
"chemical_system": "Hg",
"density": 11.339543594255959,
"density_atomic": 0.03404373483342375,
"volume": 117.49592163057402,
"volume_molar": 17.68942446963114,
"formula_full": "Hg4",
"formula_reduced": "Hg",
"formula_anonymous": "A",
"energy_above_hull": 0.2387046000000001,
"spacegroup": 194
},
{
"id": "jvasp-65765",
"created_at": "2022-09-04T14:36:19.346143Z",
"updated_at": "2022-09-04T14:36:19.346167Z",
"structure_string": "Ba1 Zr1 Te2\n1.0\n4.226569 0.000000 0.000000\n0.000000 4.226569 -0.000000\n0.000000 -0.000000 7.952098\nBa Zr Te\n1 1 2\ndirect\n0.500000 0.500000 0.795977 Ba\n0.000000 0.000000 0.351621 Zr\n0.000000 0.000000 0.992431 Te\n0.500000 0.500000 0.359972 Te\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Zr",
"Te"
],
"chemical_system": "Ba-Te-Zr",
"density": 5.6547488764480365,
"density_atomic": 0.02815803478086053,
"volume": 142.05536825030362,
"volume_molar": 21.386935582924078,
"formula_full": "Ba1 Zr1 Te2",
"formula_reduced": "BaZrTe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.2579690008333335,
"spacegroup": 99
},
{
"id": "jvasp-74501",
"created_at": "2022-09-04T14:36:19.347776Z",
"updated_at": "2022-09-04T14:36:19.347809Z",
"structure_string": "Sc4 Be1 Tc1\n1.0\n-0.000000 3.847713 3.847713\n3.847713 0.000000 3.847713\n3.847713 3.847713 0.000000\nSc Be Tc\n4 1 1\ndirect\n0.129828 0.623390 0.623390 Sc\n0.623390 0.623390 0.623390 Sc\n0.623390 0.129828 0.623390 Sc\n0.623390 0.623390 0.129828 Sc\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 Tc\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sc",
"Be",
"Tc"
],
"chemical_system": "Be-Sc-Tc",
"density": 4.180656542256009,
"density_atomic": 0.052663927324660326,
"volume": 113.92997645260021,
"volume_molar": 11.435039249684067,
"formula_full": "Sc4 Be1 Tc1",
"formula_reduced": "Sc4BeTc",
"formula_anonymous": "ABC4",
"energy_above_hull": 3.3833947666666666,
"spacegroup": 216
},
{
"id": "jvasp-75542",
"created_at": "2022-09-04T14:36:19.354391Z",
"updated_at": "2022-09-04T14:36:19.354413Z",
"structure_string": "Li2 Nb1 As1\n1.0\n-0.000000 3.120394 3.120394\n3.120394 -0.000000 3.120394\n3.120394 3.120394 0.000000\nLi Nb As\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.749999 0.749999 0.749999 Li\n0.250000 0.250000 0.250000 Nb\n0.499999 0.499999 0.499999 As\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Nb",
"As"
],
"chemical_system": "As-Li-Nb",
"density": 4.965575389488555,
"density_atomic": 0.06582664080470621,
"volume": 60.76567102774025,
"volume_molar": 9.148485607622641,
"formula_full": "Li2 Nb1 As1",
"formula_reduced": "Li2NbAs",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.2841102875,
"spacegroup": 216
},
{
"id": "jvasp-90035",
"created_at": "2022-09-04T14:36:19.355261Z",
"updated_at": "2022-09-04T14:36:19.355290Z",
"structure_string": "Sb1 Cl6 O2\n1.0\n6.567670 0.000000 -0.000000\n3.283835 -4.649442 3.935150\n3.283835 -4.649442 -3.935150\nSb Cl O\n1 6 2\ndirect\n0.000000 0.000000 0.000000 Sb\n-0.000001 0.693544 0.306456 Cl\n-0.000001 0.306456 0.693544 Cl\n0.441336 0.815115 0.815115 Cl\n0.071568 0.184884 0.184884 Cl\n0.928431 0.815115 0.815115 Cl\n0.558663 0.184884 0.184884 Cl\n0.500000 0.577122 0.422878 O\n0.500000 0.422878 0.577122 O\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Sb",
"Cl",
"O"
],
"chemical_system": "Cl-O-Sb",
"density": 2.5321658040380686,
"density_atomic": 0.03744889994226379,
"volume": 240.3274866251238,
"volume_molar": 16.08095503281681,
"formula_full": "Sb1 Cl6 O2",
"formula_reduced": "Sb(Cl3O)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.8878019450000001,
"spacegroup": 71
},
{
"id": "jvasp-86686",
"created_at": "2022-09-04T14:36:19.361463Z",
"updated_at": "2022-09-04T14:36:19.361487Z",
"structure_string": "Rb1 In6 Au4\n1.0\n8.270572 -0.000000 0.000000\n-4.135286 7.162525 -0.000000\n-0.000000 0.000000 4.560261\nRb In Au\n1 6 4\ndirect\n0.000000 0.000000 0.000000 Rb\n0.535262 0.464738 0.000000 In\n0.196816 0.803184 0.500000 In\n0.535262 0.070524 0.000000 In\n0.196816 0.393632 0.500000 In\n0.929476 0.464738 0.000000 In\n0.606368 0.803184 0.500000 In\n0.796064 0.203936 0.500000 Au\n0.333333 0.666667 0.000000 Au\n0.796064 0.592129 0.500000 Au\n0.407871 0.203936 0.500000 Au\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Rb",
"In",
"Au"
],
"chemical_system": "Au-In-Rb",
"density": 9.602980141663949,
"density_atomic": 0.040719392302058975,
"volume": 270.14155610185236,
"volume_molar": 14.789367963370836,
"formula_full": "Rb1 In6 Au4",
"formula_reduced": "Rb(In3Au2)2",
"formula_anonymous": "AB4C6",
"energy_above_hull": 0.0,
"spacegroup": 187
},
{
"id": "jvasp-12082",
"created_at": "2022-09-04T14:36:19.363316Z",
"updated_at": "2022-09-04T14:36:19.363337Z",
"structure_string": "Al1 Pd5 I2\n1.0\n3.991167 0.000000 -0.809650\n-0.164246 3.987787 -0.809650\n0.043174 0.044989 10.454869\nAl Pd I\n1 5 2\ndirect\n0.500000 0.500000 0.000000 Al\n0.088113 0.588114 0.176227 Pd\n0.588113 0.088113 0.176227 Pd\n0.411885 0.911888 0.823773 Pd\n0.911886 0.411887 0.823774 Pd\n0.000000 0.000000 0.000000 Pd\n0.183070 0.183070 0.366140 I\n0.816929 0.816931 0.633860 I\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Al",
"Pd",
"I"
],
"chemical_system": "Al-I-Pd",
"density": 8.09790129503097,
"density_atomic": 0.04799337943788338,
"volume": 166.68965790071522,
"volume_molar": 12.547857288929414,
"formula_full": "Al1 Pd5 I2",
"formula_reduced": "AlPd5I2",
"formula_anonymous": "AB2C5",
"energy_above_hull": 1.31420048125,
"spacegroup": 139
},
{
"id": "jvasp-91981",
"created_at": "2022-09-04T14:36:19.364217Z",
"updated_at": "2022-09-04T14:36:19.364243Z",
"structure_string": "V4 N2 O2\n1.0\n4.836137 -0.041753 3.300408\n2.374936 2.807527 6.608037\n-0.055482 -0.099163 5.009511\nV N O\n4 2 2\ndirect\n0.040373 0.920903 0.062735 V\n0.267673 0.513095 0.016025 V\n0.690226 0.534210 0.013408 V\n0.481603 0.036051 0.928938 V\n0.779555 0.975432 0.513658 N\n0.512321 0.474769 0.548805 N\n0.235132 0.053559 0.436058 O\n0.968490 0.484829 0.538275 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"V",
"N",
"O"
],
"chemical_system": "N-O-V",
"density": 6.131649734438235,
"density_atomic": 0.11199002132720412,
"volume": 71.43493594510706,
"volume_molar": 5.377390493037729,
"formula_full": "V4 N2 O2",
"formula_reduced": "V2NO",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.6730287875,
"spacegroup": 5
}
]
}