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=nelements&page=710",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nelements&page=708",
"results": [
{
"id": "jvasp-79248",
"created_at": "2022-09-04T14:37:16.702990Z",
"updated_at": "2022-09-04T14:37:16.703010Z",
"structure_string": "Ca2 O2\n1.0\n3.990536 -0.000000 -0.000000\n-1.995268 3.455906 0.000000\n-0.000000 -0.000000 4.795083\nCa O\n2 2\ndirect\n0.333333 0.666668 0.999871 Ca\n0.666668 0.333333 0.499871 Ca\n0.333333 0.666668 0.499828 O\n0.666668 0.333333 0.999828 O\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ca",
"O"
],
"chemical_system": "Ca-O",
"density": 2.8162919865883946,
"density_atomic": 0.06048820655150344,
"volume": 66.1285931265651,
"volume_molar": 9.955892401723586,
"formula_full": "Ca2 O2",
"formula_reduced": "CaO",
"formula_anonymous": "AB",
"energy_above_hull": 0.0551500000000002,
"spacegroup": 194
},
{
"id": "jvasp-52650",
"created_at": "2022-09-04T14:37:29.067123Z",
"updated_at": "2022-09-04T14:37:29.067148Z",
"structure_string": "U5 S10\n1.0\n4.720272 0.198239 2.270466\n2.102185 7.592360 1.017224\n-0.890085 0.093849 7.892831\nU S\n5 10\ndirect\n0.161842 0.500009 0.176287 U\n0.750000 0.000003 -0.000003 U\n0.338155 0.823713 0.499991 U\n0.661869 0.176285 0.500003 U\n0.838128 0.499997 0.823715 U\n0.079092 0.136910 0.700180 S\n0.284006 0.136939 0.299867 S\n0.249999 0.499999 0.500002 S\n0.215991 0.700133 0.863062 S\n0.420906 0.299820 0.863090 S\n0.583822 0.700179 0.136914 S\n0.779210 0.299860 0.136933 S\n0.749999 0.499998 0.500002 S\n0.720788 0.863068 0.700140 S\n0.916175 0.863087 0.299821 S\n",
"nsites": 15,
"nelements": 2,
"elements": [
"U",
"S"
],
"chemical_system": "S-U",
"density": 8.511816305810092,
"density_atomic": 0.05089311045095349,
"volume": 294.7353751242173,
"volume_molar": 11.832919439662927,
"formula_full": "U5 S10",
"formula_reduced": "US2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.3785853333333327,
"spacegroup": 97
},
{
"id": "jvasp-36401",
"created_at": "2022-09-04T14:37:06.245274Z",
"updated_at": "2022-09-04T14:37:06.245304Z",
"structure_string": "Ru1 C1\n1.0\n2.159306 2.159306 -0.000000\n2.159306 0.000000 -2.159306\n-0.000000 2.159306 -2.159306\nRu C\n1 1\ndirect\n0.000000 0.000000 0.000000 Ru\n0.500001 0.500001 0.500001 C\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ru",
"C"
],
"chemical_system": "C-Ru",
"density": 9.325347309311516,
"density_atomic": 0.09932473738130097,
"volume": 20.135970682934047,
"volume_molar": 6.063082489593109,
"formula_full": "Ru1 C1",
"formula_reduced": "RuC",
"formula_anonymous": "AB",
"energy_above_hull": 3.93599025,
"spacegroup": 225
},
{
"id": "jvasp-80519",
"created_at": "2022-09-04T14:37:13.157589Z",
"updated_at": "2022-09-04T14:37:13.157612Z",
"structure_string": "Zr2 Sn2\n1.0\n5.406841 0.000000 0.000000\n0.000000 3.113299 0.000000\n0.000000 0.000000 5.407219\nZr Sn\n2 2\ndirect\n0.250000 0.000000 0.249914 Zr\n0.750000 0.000000 0.750086 Zr\n0.250000 0.500000 0.749918 Sn\n0.750000 0.500000 0.250083 Sn\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Zr",
"Sn"
],
"chemical_system": "Sn-Zr",
"density": 7.6599067709539375,
"density_atomic": 0.04394622767069927,
"volume": 91.02032670410439,
"volume_molar": 13.70343048583259,
"formula_full": "Zr2 Sn2",
"formula_reduced": "ZrSn",
"formula_anonymous": "AB",
"energy_above_hull": 1.3965081,
"spacegroup": 123
},
{
"id": "jvasp-36262",
"created_at": "2022-09-04T14:37:16.712387Z",
"updated_at": "2022-09-04T14:37:16.712420Z",
"structure_string": "Mg1 H2\n1.0\n2.372866 2.372866 0.000000\n2.372866 0.000000 -2.372866\n0.000000 2.372866 -2.372866\nMg H\n1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.250000 0.250000 0.250000 H\n0.750001 0.750001 0.750001 H\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Mg",
"H"
],
"chemical_system": "H-Mg",
"density": 1.6356857359599448,
"density_atomic": 0.11227204118341459,
"volume": 26.720811061936722,
"volume_molar": 5.3638828478782665,
"formula_full": "Mg1 H2",
"formula_reduced": "MgH2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.2121096833333338,
"spacegroup": 225
},
{
"id": "jvasp-36404",
"created_at": "2022-09-04T14:37:16.726575Z",
"updated_at": "2022-09-04T14:37:16.726598Z",
"structure_string": "Sm1 As1\n1.0\n3.810711 0.000000 0.000000\n0.000000 3.810711 0.000000\n-0.000000 0.000000 3.247947\nSm As\n1 1\ndirect\n0.000000 0.000000 0.000000 Sm\n0.500000 0.500000 0.500001 As\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Sm",
"As"
],
"chemical_system": "As-Sm",
"density": 7.931473149405191,
"density_atomic": 0.042404215662872544,
"volume": 47.16512188082095,
"volume_molar": 14.201750146442985,
"formula_full": "Sm1 As1",
"formula_reduced": "SmAs",
"formula_anonymous": "AB",
"energy_above_hull": 0.7198953125,
"spacegroup": 123
},
{
"id": "jvasp-17992",
"created_at": "2022-09-04T14:37:29.705172Z",
"updated_at": "2022-09-04T14:37:29.705184Z",
"structure_string": "Tm1 In3\n1.0\n4.609145 -0.000000 -0.000000\n-0.000000 4.609145 -0.000000\n-0.000000 -0.000000 4.609145\nTm In\n1 3\ndirect\n0.000000 0.000000 0.000000 Tm\n0.500001 0.000000 0.500001 In\n0.000000 0.500001 0.500001 In\n0.500001 0.500001 0.000000 In\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Tm",
"In"
],
"chemical_system": "In-Tm",
"density": 8.706304965819212,
"density_atomic": 0.040850641288991955,
"volume": 97.91767947295071,
"volume_molar": 14.741851216966795,
"formula_full": "Tm1 In3",
"formula_reduced": "TmIn3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 221
},
{
"id": "jvasp-30599",
"created_at": "2022-09-04T14:37:29.699426Z",
"updated_at": "2022-09-04T14:37:29.699445Z",
"structure_string": "Mo6 O18\n1.0\n5.957031 0.000000 -0.000000\n-2.978516 5.158940 0.000000\n0.000000 -0.000000 10.465759\nMo O\n6 18\ndirect\n0.674635 -0.000000 0.479166 Mo\n0.674634 0.674635 0.979166 Mo\n-0.000000 0.325365 0.979166 Mo\n-0.000000 0.674635 0.479166 Mo\n0.325365 0.325365 0.479166 Mo\n0.325365 -0.000000 0.979166 Mo\n-0.000000 0.258404 0.134346 O\n-0.000001 0.741596 0.634346 O\n0.258404 0.258404 0.634346 O\n0.258404 -0.000000 0.134346 O\n0.359575 -0.000000 0.405420 O\n0.359575 0.359575 0.905420 O\n-0.000000 0.640425 0.905420 O\n-0.000000 0.359575 0.405420 O\n0.000000 0.000000 0.424697 O\n0.640425 -0.000000 0.905420 O\n0.741595 0.741596 0.134346 O\n0.000000 0.000000 0.924697 O\n0.333332 0.666667 0.025718 O\n0.666667 0.333333 0.525718 O\n0.333332 0.666667 0.525718 O\n0.666667 0.333333 0.025718 O\n0.640424 0.640425 0.405420 O\n0.741595 -0.000000 0.634346 O\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Mo",
"O"
],
"chemical_system": "Mo-O",
"density": 4.458772853500585,
"density_atomic": 0.0746191289037285,
"volume": 321.63334459404,
"volume_molar": 8.070505309395392,
"formula_full": "Mo6 O18",
"formula_reduced": "MoO3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.8679091,
"spacegroup": 185
},
{
"id": "jvasp-80068",
"created_at": "2022-09-04T14:37:13.181773Z",
"updated_at": "2022-09-04T14:37:13.181793Z",
"structure_string": "La1 Bi3\n1.0\n5.024310 -0.000389 -0.000389\n-0.000389 5.024310 -0.000389\n-0.000389 -0.000389 5.024310\nLa Bi\n1 3\ndirect\n0.000008 0.000008 0.000008 La\n0.500011 0.999970 0.500011 Bi\n0.999970 0.500011 0.500011 Bi\n0.500011 0.500011 0.999970 Bi\n",
"nsites": 4,
"nelements": 2,
"elements": [
"La",
"Bi"
],
"chemical_system": "Bi-La",
"density": 10.026783807672183,
"density_atomic": 0.031537750751469674,
"volume": 126.8321267271604,
"volume_molar": 19.09502300102795,
"formula_full": "La1 Bi3",
"formula_reduced": "LaBi3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.001961975,
"spacegroup": 221
},
{
"id": "jvasp-56396",
"created_at": "2022-09-04T14:37:08.322445Z",
"updated_at": "2022-09-04T14:37:08.322476Z",
"structure_string": "Yb4 Sn2\n1.0\n2.648285 -4.586964 -0.000000\n2.648285 4.586964 -0.000000\n0.000000 0.000000 6.927008\nYb Sn\n4 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.666668 0.333334 0.750000 Yb\n0.333334 0.666668 0.250000 Yb\n0.000000 0.000000 0.500000 Yb\n0.333334 0.666668 0.750000 Sn\n0.666668 0.333334 0.250000 Sn\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Yb",
"Sn"
],
"chemical_system": "Sn-Yb",
"density": 9.172128521790844,
"density_atomic": 0.03565213260577262,
"volume": 168.29287791408328,
"volume_molar": 16.89138999506841,
"formula_full": "Yb4 Sn2",
"formula_reduced": "Yb2Sn",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-51480",
"created_at": "2022-09-04T14:37:30.396837Z",
"updated_at": "2022-09-04T14:37:30.396847Z",
"structure_string": "V4 O8\n1.0\n0.000000 4.859527 0.109801\n6.652103 0.000000 0.000000\n0.000000 -1.112546 -7.888105\nV O\n4 8\ndirect\n0.654400 0.000000 0.219294 V\n0.345600 0.000000 0.780706 V\n0.000000 0.165164 0.000000 V\n0.000000 0.834835 0.000000 V\n0.268361 0.000000 0.142094 O\n0.731639 0.000000 0.857907 O\n0.226457 0.756802 0.853364 O\n0.773543 0.756802 0.146637 O\n0.773543 0.243198 0.146637 O\n0.226457 0.243198 0.853364 O\n0.269759 0.000000 0.577622 O\n0.730241 0.000000 0.422378 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
"V",
"O"
],
"chemical_system": "O-V",
"density": 2.1673810489435734,
"density_atomic": 0.047210850799208226,
"volume": 254.17885500596088,
"volume_molar": 12.75584035884606,
"formula_full": "V4 O8",
"formula_reduced": "VO2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.006940400000001,
"spacegroup": 10
},
{
"id": "jvasp-36181",
"created_at": "2022-09-04T14:37:16.753200Z",
"updated_at": "2022-09-04T14:37:16.753219Z",
"structure_string": "Cd2 N2\n1.0\n1.665170 -2.884160 -0.000000\n1.665170 2.884160 0.000000\n-0.000000 0.000000 5.835098\nCd N\n2 2\ndirect\n0.000000 0.000000 0.500000 Cd\n0.000000 0.000000 0.000000 Cd\n0.333333 0.666667 0.750000 N\n0.666667 0.333333 0.250000 N\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cd",
"N"
],
"chemical_system": "Cd-N",
"density": 7.490846545812728,
"density_atomic": 0.07136806369050128,
"volume": 56.04747828589862,
"volume_molar": 8.438145087018125,
"formula_full": "Cd2 N2",
"formula_reduced": "CdN",
"formula_anonymous": "AB",
"energy_above_hull": 1.5922164999999997,
"spacegroup": 194
}
]
}