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=4399",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-updated_at&page=4397",
"results": [
{
"id": "jvasp-65675",
"created_at": "2022-09-04T14:35:48.827366Z",
"updated_at": "2022-09-04T14:35:48.827400Z",
"structure_string": "Ba1 Ru2 Cl1\n1.0\n3.975904 0.000000 -0.000000\n0.000000 3.975904 0.000000\n-0.000000 0.000000 5.895125\nBa Ru Cl\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.693540 Ru\n0.000000 0.000000 0.306459 Ru\n0.500000 0.500000 0.500000 Cl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Ru",
"Cl"
],
"chemical_system": "Ba-Cl-Ru",
"density": 6.680714433843409,
"density_atomic": 0.04292350657406605,
"volume": 93.18903135506547,
"volume_molar": 14.029936602706446,
"formula_full": "Ba1 Ru2 Cl1",
"formula_reduced": "BaRu2Cl",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.432350259375,
"spacegroup": 123
},
{
"id": "jvasp-61150",
"created_at": "2022-09-04T14:35:48.827178Z",
"updated_at": "2022-09-04T14:35:48.827193Z",
"structure_string": "Hg1 As2 O6\n1.0\n2.478351 -4.292628 0.000000\n2.478351 4.292628 0.000000\n-0.000000 0.000000 5.038791\nHg As O\n1 2 6\ndirect\n0.000000 0.000000 0.000000 Hg\n0.666667 0.333333 0.500000 As\n0.333333 0.666667 0.500000 As\n-0.000000 0.379664 0.706892 O\n0.379664 -0.000000 0.706892 O\n0.620335 0.620335 0.706892 O\n0.620336 -0.000000 0.293108 O\n-0.000000 0.620336 0.293108 O\n0.379664 0.379664 0.293108 O\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Hg",
"As",
"O"
],
"chemical_system": "As-Hg-O",
"density": 6.914482329191033,
"density_atomic": 0.0839460181291291,
"volume": 107.21175584714265,
"volume_molar": 7.173825387091624,
"formula_full": "Hg1 As2 O6",
"formula_reduced": "Hg(AsO3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 2.1729476777777776,
"spacegroup": 162
},
{
"id": "jvasp-75686",
"created_at": "2022-09-04T14:35:48.825248Z",
"updated_at": "2022-09-04T14:35:48.825280Z",
"structure_string": "Sb1 As1 Os1\n1.0\n-0.000000 3.129832 3.129832\n3.129832 -0.000000 3.129832\n3.129832 3.129832 -0.000000\nSb As Os\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Sb\n0.500000 0.500000 0.500000 As\n0.250000 0.250000 0.250000 Os\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Sb",
"As",
"Os"
],
"chemical_system": "As-Os-Sb",
"density": 10.477743744949944,
"density_atomic": 0.04892470091444938,
"volume": 61.318719254837234,
"volume_molar": 12.30899861918507,
"formula_full": "Sb1 As1 Os1",
"formula_reduced": "SbAsOs",
"formula_anonymous": "ABC",
"energy_above_hull": 3.000977616666667,
"spacegroup": 216
},
{
"id": "jvasp-92318",
"created_at": "2022-09-04T14:35:48.822457Z",
"updated_at": "2022-09-04T14:35:48.822482Z",
"structure_string": "Mg3 Sb3\n1.0\n3.858050 0.000000 0.000000\n-1.929024 3.341170 -0.000000\n-0.000000 -0.000000 11.910174\nMg Sb\n3 3\ndirect\n0.000000 0.000000 0.000000 Mg\n0.666667 0.333333 0.333333 Mg\n0.333334 0.666667 0.666667 Mg\n0.333334 0.666667 0.166667 Sb\n0.000000 0.000000 0.500000 Sb\n0.666667 0.333333 0.833333 Sb\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Sb"
],
"chemical_system": "Mg-Sb",
"density": 4.739494066501169,
"density_atomic": 0.039081094594212586,
"volume": 153.5269178690948,
"volume_molar": 15.40934516427747,
"formula_full": "Mg3 Sb3",
"formula_reduced": "MgSb",
"formula_anonymous": "AB",
"energy_above_hull": 0.5004176142857144,
"spacegroup": 166
},
{
"id": "jvasp-22514",
"created_at": "2022-09-04T14:35:48.815113Z",
"updated_at": "2022-09-04T14:35:48.815133Z",
"structure_string": "Co2 F4\n1.0\n3.090495 0.000000 0.000000\n0.000000 4.546384 0.000000\n0.000000 -0.000000 4.546384\nCo F\n2 4\ndirect\n0.000000 0.000000 0.000000 Co\n0.500001 0.500000 0.500000 Co\n0.000000 0.302937 0.302937 F\n0.000000 0.697062 0.697062 F\n0.500001 0.197062 0.802937 F\n0.500001 0.802937 0.197062 F\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Co",
"F"
],
"chemical_system": "Co-F",
"density": 5.039379182232949,
"density_atomic": 0.09392711343417379,
"volume": 63.87931855485939,
"volume_molar": 6.411504133170716,
"formula_full": "Co2 F4",
"formula_reduced": "CoF2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.358087155,
"spacegroup": 136
},
{
"id": "jvasp-107968",
"created_at": "2022-09-04T14:35:48.813858Z",
"updated_at": "2022-09-04T14:35:48.813876Z",
"structure_string": "Pm3 Dy1\n1.0\n5.074410 -0.000000 0.000000\n0.000000 5.074410 0.000000\n-0.000000 -0.000000 5.074410\nPm Dy\n3 1\ndirect\n-0.000000 0.500000 0.500000 Pm\n0.500000 0.000000 0.500000 Pm\n0.500000 0.500000 -0.000000 Pm\n0.000000 0.000000 0.000000 Dy\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Pm",
"Dy"
],
"chemical_system": "Dy-Pm",
"density": 7.593296255076584,
"density_atomic": 0.03061281934477298,
"volume": 130.66421471836713,
"volume_molar": 19.671957333221762,
"formula_full": "Pm3 Dy1",
"formula_reduced": "Pm3Dy",
"formula_anonymous": "AB3",
"energy_above_hull": 1.54077750625,
"spacegroup": 221
},
{
"id": "jvasp-91875",
"created_at": "2022-09-04T14:35:48.809897Z",
"updated_at": "2022-09-04T14:35:48.809929Z",
"structure_string": "Mg7 C1\n1.0\n6.112147 -0.000000 -0.000000\n-3.056074 5.293274 -0.000000\n0.000000 0.000000 4.823722\nMg C\n7 1\ndirect\n0.165187 0.832592 0.250000 Mg\n0.667408 0.334813 0.250000 Mg\n0.667408 0.832592 0.250000 Mg\n0.324980 0.175020 0.750000 Mg\n0.324980 0.649961 0.750000 Mg\n0.850039 0.175020 0.750000 Mg\n0.833334 0.666666 0.750000 Mg\n0.166667 0.333333 0.250000 C\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mg",
"C"
],
"chemical_system": "C-Mg",
"density": 1.9380616322393243,
"density_atomic": 0.05126129227287347,
"volume": 156.0631744789909,
"volume_molar": 11.747930052061536,
"formula_full": "Mg7 C1",
"formula_reduced": "Mg7C",
"formula_anonymous": "AB7",
"energy_above_hull": 0.0739116687499999,
"spacegroup": 187
},
{
"id": "jvasp-70448",
"created_at": "2022-09-04T14:35:48.809569Z",
"updated_at": "2022-09-04T14:35:48.809586Z",
"structure_string": "Be2 Cd1 Sn1\n1.0\n2.933432 -0.000000 -0.000000\n-0.000000 2.933432 -0.000000\n-0.000000 0.000000 8.067105\nBe Cd Sn\n2 1 1\ndirect\n0.000000 0.000000 0.078588 Be\n0.500000 0.500000 0.185406 Be\n0.000000 0.000000 0.432009 Cd\n0.500000 0.500000 0.803999 Sn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Cd",
"Sn"
],
"chemical_system": "Be-Cd-Sn",
"density": 5.959806337064746,
"density_atomic": 0.057622252487984485,
"volume": 69.41762647744616,
"volume_molar": 10.451067946807095,
"formula_full": "Be2 Cd1 Sn1",
"formula_reduced": "Be2CdSn",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.0007161125,
"spacegroup": 99
},
{
"id": "jvasp-67510",
"created_at": "2022-09-04T14:35:48.808684Z",
"updated_at": "2022-09-04T14:35:48.808720Z",
"structure_string": "Be1 Co1 Br1\n1.0\n-1.561982 1.561982 4.596208\n1.561982 -1.561982 4.596208\n1.561982 1.561982 -4.596208\nBe Co Br\n1 1 1\ndirect\n0.048600 0.048600 0.000000 Be\n0.607066 0.607066 0.000000 Co\n0.344334 0.344334 0.000000 Br\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Be",
"Co",
"Br"
],
"chemical_system": "Be-Br-Co",
"density": 5.473396132622762,
"density_atomic": 0.06688204433343951,
"volume": 44.85508823629166,
"volume_molar": 9.004121838705618,
"formula_full": "Be1 Co1 Br1",
"formula_reduced": "BeCoBr",
"formula_anonymous": "ABC",
"energy_above_hull": 1.659127035,
"spacegroup": 107
},
{
"id": "jvasp-50720",
"created_at": "2022-09-04T14:35:48.805271Z",
"updated_at": "2022-09-04T14:35:48.805291Z",
"structure_string": "Li6 Cu2 F8\n1.0\n2.843226 -0.001044 0.392161\n-1.422363 -2.484939 -0.197788\n-2.785888 0.015824 -21.579442\nLi Cu F\n6 2 8\ndirect\n0.000612 0.999392 -0.000007 Li\n0.999386 0.000648 0.500006 Li\n0.886606 0.333820 0.610615 Li\n0.446693 0.332725 0.889385 Li\n0.554478 0.666158 0.110606 Li\n0.112232 0.667375 0.389395 Li\n0.500009 0.000117 0.249998 Cu\n0.499993 -0.000077 0.750001 Cu\n0.676729 0.000669 0.338095 F\n0.777068 0.332769 0.055061 F\n0.556292 0.334015 0.444940 F\n0.677769 -0.000609 0.838093 F\n0.323314 -0.000428 0.161902 F\n0.442527 0.667237 0.555073 F\n0.322186 0.000440 0.661909 F\n0.224118 0.666053 0.944927 F\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Li",
"Cu",
"F"
],
"chemical_system": "Cu-F-Li",
"density": 3.5557100049608104,
"density_atomic": 0.1068228349994266,
"volume": 149.78070934071243,
"volume_molar": 5.637503217390107,
"formula_full": "Li6 Cu2 F8",
"formula_reduced": "Li3CuF4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 0.1219312853124999,
"spacegroup": 194
},
{
"id": "jvasp-62894",
"created_at": "2022-09-04T14:35:48.804758Z",
"updated_at": "2022-09-04T14:35:48.804768Z",
"structure_string": "Er4 Mn4 B16\n1.0\n3.399588 0.000000 0.000000\n0.000000 5.872711 -0.000000\n0.000000 0.000000 11.350585\nEr Mn B\n4 4 16\ndirect\n0.000000 0.126130 0.849601 Er\n0.000000 0.873870 0.150399 Er\n0.000000 0.373870 0.349601 Er\n0.000000 0.626130 0.650399 Er\n0.000000 0.127781 0.583834 Mn\n0.000000 0.872219 0.416166 Mn\n0.000000 0.372219 0.083834 Mn\n0.000000 0.627781 0.916165 Mn\n0.500000 0.524850 0.191428 B\n0.500000 0.475150 0.808572 B\n0.500000 0.887467 0.546621 B\n0.500000 0.112533 0.453379 B\n0.500000 0.612533 0.046621 B\n0.500000 0.387467 0.953378 B\n0.500000 0.862414 0.967996 B\n0.500000 0.782057 0.816043 B\n0.500000 0.637585 0.467997 B\n0.500000 0.362415 0.532003 B\n0.500000 0.024850 0.308572 B\n0.500000 0.217942 0.183956 B\n0.500000 0.717942 0.316043 B\n0.500000 0.282058 0.683956 B\n0.500000 0.137585 0.032003 B\n0.500000 0.975150 0.691427 B\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Er",
"Mn",
"B"
],
"chemical_system": "B-Er-Mn",
"density": 7.780258109238841,
"density_atomic": 0.1059078323757189,
"volume": 226.61213492555999,
"volume_molar": 5.686209060190976,
"formula_full": "Er4 Mn4 B16",
"formula_reduced": "ErMnB4",
"formula_anonymous": "ABC4",
"energy_above_hull": 4.233027929118775,
"spacegroup": 55
},
{
"id": "jvasp-50977",
"created_at": "2022-09-04T14:35:48.804223Z",
"updated_at": "2022-09-04T14:35:48.804256Z",
"structure_string": "Li2 Cu1 Bi1 O4\n1.0\n-5.396482 0.347642 0.000000\n-1.673649 2.676006 3.156280\n-1.673649 2.676006 -3.156280\nLi Cu Bi O\n2 1 1 4\ndirect\n0.500000 0.750001 0.250001 Li\n-0.000000 0.500001 0.500001 Li\n0.500000 0.250001 0.750001 Cu\n0.000000 0.000000 0.000000 Bi\n0.970810 0.014595 0.514595 O\n0.510775 0.744613 0.744613 O\n0.489225 0.255388 0.255388 O\n0.029190 0.485406 0.985406 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Li",
"Cu",
"Bi",
"O"
],
"chemical_system": "Bi-Cu-Li-O",
"density": 6.650852881716777,
"density_atomic": 0.09144220644986972,
"volume": 87.48695280429115,
"volume_molar": 6.585734305636476,
"formula_full": "Li2 Cu1 Bi1 O4",
"formula_reduced": "Li2CuBiO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.50479609375,
"spacegroup": 119
}
]
}