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=151",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_anonymous&page=149",
"results": [
{
"id": "jvasp-36476",
"created_at": "2022-09-04T14:37:30.817419Z",
"updated_at": "2022-09-04T14:37:30.817449Z",
"structure_string": "Ba3 As2\n1.0\n6.136082 0.000000 0.000000\n0.000000 6.136082 -0.000000\n0.000000 -0.000000 6.136082\nBa As\n3 2\ndirect\n0.000000 0.500000 0.500000 Ba\n0.500000 0.000000 0.500000 Ba\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.000000 As\n0.500000 0.500000 0.500000 As\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Ba",
"As"
],
"chemical_system": "As-Ba",
"density": 4.0380907552945855,
"density_atomic": 0.021641957518421663,
"volume": 231.03270560179195,
"volume_molar": 27.826229465952633,
"formula_full": "Ba3 As2",
"formula_reduced": "Ba3As2",
"formula_anonymous": "A2B3",
"energy_above_hull": 0.6925962819999999,
"spacegroup": 221
},
{
"id": "jvasp-59722",
"created_at": "2022-09-04T14:37:30.735813Z",
"updated_at": "2022-09-04T14:37:30.735842Z",
"structure_string": "U6 Si4\n1.0\n7.312797 0.000000 0.000000\n0.000000 7.312797 0.000000\n0.000000 -0.000000 3.912636\nU Si\n6 4\ndirect\n0.815712 0.684289 0.500001 U\n0.315712 0.815712 0.500001 U\n0.184289 0.315712 0.500001 U\n0.684289 0.184289 0.500001 U\n0.500000 0.500000 0.000000 U\n0.000000 0.000000 0.000000 U\n0.885118 0.385118 0.000000 Si\n0.385118 0.114883 0.000000 Si\n0.614883 0.885118 0.000000 Si\n0.114883 0.614883 0.000000 Si\n",
"nsites": 10,
"nelements": 2,
"elements": [
"U",
"Si"
],
"chemical_system": "Si-U",
"density": 12.225839116303101,
"density_atomic": 0.047792914777327035,
"volume": 209.23603522805018,
"volume_molar": 12.600488562076368,
"formula_full": "U6 Si4",
"formula_reduced": "U3Si2",
"formula_anonymous": "A2B3",
"energy_above_hull": 5.127749039999999,
"spacegroup": 127
},
{
"id": "jvasp-58207",
"created_at": "2022-09-04T14:37:32.366705Z",
"updated_at": "2022-09-04T14:37:32.366725Z",
"structure_string": "Mn8 O12\n1.0\n2.971585 -0.000000 0.000000\n-1.485792 4.978481 -0.000000\n-0.000000 -0.000000 14.767433\nMn O\n8 12\ndirect\n0.864308 0.728621 0.049375 Mn\n0.135689 0.271378 0.950624 Mn\n0.864308 0.728621 0.450624 Mn\n0.135689 0.271378 0.549375 Mn\n0.404838 0.809673 0.640772 Mn\n0.595161 0.190326 0.359229 Mn\n0.595161 0.190326 0.140771 Mn\n0.404838 0.809673 0.859228 Mn\n0.782689 0.565382 0.577728 O\n0.217309 0.434618 0.422272 O\n0.217309 0.434618 0.077728 O\n0.782689 0.565382 0.922272 O\n0.025901 0.051803 0.653558 O\n0.499998 0.000000 0.000000 O\n0.974098 0.948197 0.153558 O\n0.025901 0.051803 0.846442 O\n0.325677 0.651353 0.750000 O\n0.499998 0.000000 0.500000 O\n0.974098 0.948197 0.346442 O\n0.674320 0.348645 0.250000 O\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Mn",
"O"
],
"chemical_system": "Mn-O",
"density": 4.799881091463774,
"density_atomic": 0.09154612690276051,
"volume": 218.46910051414653,
"volume_molar": 6.578258375033894,
"formula_full": "Mn8 O12",
"formula_reduced": "Mn2O3",
"formula_anonymous": "A2B3",
"energy_above_hull": 3.030690996551724,
"spacegroup": 63
},
{
"id": "jvasp-52617",
"created_at": "2022-09-04T14:37:14.442610Z",
"updated_at": "2022-09-04T14:37:14.442630Z",
"structure_string": "Sm4 O6\n1.0\n5.485853 0.000000 0.000000\n-0.000000 5.485853 0.000000\n-0.000000 -0.000000 5.485853\nSm O\n4 6\ndirect\n0.250000 0.750000 0.750000 Sm\n0.750000 0.750000 0.250000 Sm\n0.250000 0.250000 0.250000 Sm\n0.750000 0.250000 0.750000 Sm\n0.500000 0.000000 0.000000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n0.000000 0.500000 0.000000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Sm",
"O"
],
"chemical_system": "O-Sm",
"density": 7.01489555952713,
"density_atomic": 0.060571384703709465,
"volume": 165.09445918920173,
"volume_molar": 9.942220719334482,
"formula_full": "Sm4 O6",
"formula_reduced": "Sm2O3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.6982986999999996,
"spacegroup": 224
},
{
"id": "jvasp-36541",
"created_at": "2022-09-04T14:37:20.092540Z",
"updated_at": "2022-09-04T14:37:20.092563Z",
"structure_string": "Cr3 N2\n1.0\n1.971794 -1.971794 0.000000\n1.971794 1.971794 -0.000000\n-1.971794 0.000000 5.789683\nCr N\n3 2\ndirect\n0.000000 0.000000 0.000000 Cr\n0.649092 0.649092 0.298185 Cr\n0.350907 0.350907 0.701815 Cr\n0.831179 0.831179 0.662358 N\n0.168820 0.168820 0.337641 N\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Cr",
"N"
],
"chemical_system": "Cr-N",
"density": 6.786769042093897,
"density_atomic": 0.11106114370471556,
"volume": 45.020245904308155,
"volume_molar": 5.422365157711145,
"formula_full": "Cr3 N2",
"formula_reduced": "Cr3N2",
"formula_anonymous": "A2B3",
"energy_above_hull": 5.16491974,
"spacegroup": 139
},
{
"id": "jvasp-86799",
"created_at": "2022-09-04T14:35:41.489923Z",
"updated_at": "2022-09-04T14:35:41.489950Z",
"structure_string": "Mg3 Bi2\n1.0\n4.691333 -0.000000 0.000000\n-2.345666 4.062814 -0.000000\n-0.000000 0.000000 7.463808\nMg Bi\n3 2\ndirect\n0.333332 0.666666 0.627203 Mg\n0.000000 0.000000 0.000000 Mg\n0.666666 0.333333 0.372797 Mg\n0.333332 0.666666 0.221261 Bi\n0.666666 0.333333 0.778739 Bi\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Mg",
"Bi"
],
"chemical_system": "Bi-Mg",
"density": 5.729768283138332,
"density_atomic": 0.03514684481814639,
"volume": 142.26028042831572,
"volume_molar": 17.134228665927807,
"formula_full": "Mg3 Bi2",
"formula_reduced": "Mg3Bi2",
"formula_anonymous": "A2B3",
"energy_above_hull": 0.294353922857143,
"spacegroup": 164
},
{
"id": "jvasp-98405",
"created_at": "2022-09-04T14:35:42.325865Z",
"updated_at": "2022-09-04T14:35:42.325890Z",
"structure_string": "Cd24 N16\n1.0\n8.950036 0.000000 -3.164316\n-4.475017 7.750958 -3.164316\n-0.000000 -0.000000 9.492947\nCd N\n24 16\ndirect\n0.755455 0.030540 0.476978 Cd\n0.476978 0.755455 0.030540 Cd\n0.969460 0.523022 0.244545 Cd\n0.255455 0.778477 0.724914 Cd\n0.446438 0.469460 0.224914 Cd\n0.023022 0.053562 0.278476 Cd\n0.778477 0.724915 0.255454 Cd\n0.775086 0.553562 0.530540 Cd\n0.553562 0.530540 0.775086 Cd\n0.469460 0.224914 0.446438 Cd\n0.721524 0.976979 0.946438 Cd\n0.976979 0.946438 0.721523 Cd\n0.278477 0.023022 0.053562 Cd\n0.523022 0.244545 0.969460 Cd\n0.724915 0.255455 0.778476 Cd\n0.221524 0.275086 0.744545 Cd\n0.744546 0.221524 0.275085 Cd\n0.030540 0.476978 0.755455 Cd\n0.275086 0.744545 0.221523 Cd\n0.244545 0.969460 0.523021 Cd\n0.946438 0.721524 0.976978 Cd\n0.224914 0.446438 0.469460 Cd\n0.530540 0.775086 0.553562 Cd\n0.053562 0.278477 0.023022 Cd\n0.500000 0.500000 0.500000 N\n0.278533 0.528533 0.750000 N\n0.750000 0.778533 0.028532 N\n0.528533 0.750000 0.278532 N\n0.721468 0.471468 0.250000 N\n0.028533 0.750000 0.778533 N\n0.750000 0.278533 0.528532 N\n0.778533 0.028533 0.750000 N\n0.250000 0.721468 0.471467 N\n0.471468 0.250000 0.721467 N\n0.971468 0.250000 0.221467 N\n0.250000 0.221467 0.971468 N\n0.221467 0.971468 0.250000 N\n0.500000 -0.000000 -0.000000 N\n0.000000 0.000000 0.500000 N\n-0.000000 0.500000 -0.000000 N\n",
"nsites": 40,
"nelements": 2,
"elements": [
"Cd",
"N"
],
"chemical_system": "Cd-N",
"density": 7.367901420777007,
"density_atomic": 0.06074055689126113,
"volume": 658.5385786239784,
"volume_molar": 9.914530040909813,
"formula_full": "Cd24 N16",
"formula_reduced": "Cd3N2",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.0751931499999998,
"spacegroup": 206
},
{
"id": "jvasp-85826",
"created_at": "2022-09-04T14:35:42.261209Z",
"updated_at": "2022-09-04T14:35:42.261255Z",
"structure_string": "Ni6 S4\n1.0\n-3.250068 0.000000 0.000000\n0.000000 -0.000019 6.861238\n-1.625034 5.577546 -0.000018\nNi S\n6 4\ndirect\n0.461964 0.250002 0.076072 Ni\n0.538035 0.749998 0.923929 Ni\n0.665005 0.432958 0.669990 Ni\n0.334998 0.567043 0.330004 Ni\n0.665000 0.067034 0.670000 Ni\n0.334996 0.932966 0.330006 Ni\n0.000000 0.000001 0.000000 S\n0.259891 0.250000 0.480217 S\n0.740108 0.750000 0.519785 S\n0.000000 0.500001 -0.000000 S\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Ni",
"S"
],
"chemical_system": "Ni-S",
"density": 6.414051539147123,
"density_atomic": 0.08040108460004418,
"volume": 124.3764316084177,
"volume_molar": 7.490123783724046,
"formula_full": "Ni6 S4",
"formula_reduced": "Ni3S2",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.41387544,
"spacegroup": 63
},
{
"id": "jvasp-97658",
"created_at": "2022-09-04T14:35:46.563608Z",
"updated_at": "2022-09-04T14:35:46.563634Z",
"structure_string": "Pb8 O12\n1.0\n5.763583 -0.798734 0.000462\n-0.969994 6.708040 -0.000085\n-0.000498 -0.000195 8.226025\nPb O\n8 12\ndirect\n-0.000001 0.000011 0.250000 Pb\n0.537649 0.140789 0.500007 Pb\n0.000007 0.500003 0.749992 Pb\n0.462356 0.859194 0.000011 Pb\n0.462345 0.359198 -0.000020 Pb\n-0.000017 -0.000007 0.750009 Pb\n-0.000002 0.500005 0.250002 Pb\n0.537641 0.640806 0.499987 Pb\n0.256463 0.811950 0.288940 O\n0.256461 0.311949 0.288954 O\n0.743540 0.688048 0.788952 O\n0.256457 0.311925 0.711055 O\n0.743547 0.688065 0.211059 O\n0.256454 0.811941 0.711050 O\n-0.155145 0.961677 0.500003 O\n0.743534 0.188055 0.788945 O\n0.155157 0.538332 -0.000003 O\n0.844859 0.461671 0.499999 O\n0.743542 0.188055 0.211053 O\n0.155150 0.038331 0.000001 O\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Pb",
"O"
],
"chemical_system": "O-Pb",
"density": 9.854585267621616,
"density_atomic": 0.06417163781514315,
"volume": 311.66416630370657,
"volume_molar": 9.384427396644849,
"formula_full": "Pb8 O12",
"formula_reduced": "Pb2O3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.4234724279999995,
"spacegroup": 63
},
{
"id": "jvasp-86687",
"created_at": "2022-09-04T14:35:45.061058Z",
"updated_at": "2022-09-04T14:35:45.061077Z",
"structure_string": "Ca9 N6\n1.0\n3.776799 0.000000 -0.000000\n-1.888400 7.324726 -1.359181\n-0.000000 0.013970 9.306858\nCa N\n9 6\ndirect\n0.126871 0.253742 0.278626 Ca\n0.790466 0.580931 0.378615 Ca\n0.827811 0.655622 0.034964 Ca\n0.209535 0.419070 0.621385 Ca\n0.172189 0.344378 0.965036 Ca\n0.873130 0.746259 0.721374 Ca\n0.469621 0.939241 0.340449 Ca\n0.500000 -0.000000 -0.000000 Ca\n0.530380 0.060760 0.659551 Ca\n0.359073 0.718145 0.512239 N\n0.030691 0.061383 0.811904 N\n0.969309 0.938617 0.188097 N\n0.317709 0.635419 0.869376 N\n0.640927 0.281855 0.487761 N\n0.682291 0.364582 0.130625 N\n",
"nsites": 15,
"nelements": 2,
"elements": [
"Ca",
"N"
],
"chemical_system": "Ca-N",
"density": 2.867597180761956,
"density_atomic": 0.05824410367903749,
"volume": 257.53679862016,
"volume_molar": 10.33948568113585,
"formula_full": "Ca9 N6",
"formula_reduced": "Ca3N2",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.718789552,
"spacegroup": 12
},
{
"id": "jvasp-98125",
"created_at": "2022-09-04T14:35:44.924687Z",
"updated_at": "2022-09-04T14:35:44.924700Z",
"structure_string": "Bi8 O12\n1.0\n5.527593 0.000000 0.000000\n-0.000000 8.238942 0.000000\n0.000000 0.000000 8.238942\nBi O\n8 12\ndirect\n0.219633 0.250984 0.514985 Bi\n0.780366 0.514985 0.749016 Bi\n0.219633 0.749016 0.485015 Bi\n0.219633 0.750984 0.985014 Bi\n0.219633 0.249016 0.014985 Bi\n0.780366 0.014985 0.750984 Bi\n0.780366 0.985014 0.249016 Bi\n0.780366 0.485015 0.250984 Bi\n0.000000 0.752072 0.252073 O\n0.500000 0.374283 0.125717 O\n0.500000 0.625717 0.874283 O\n0.500000 0.000000 0.000000 O\n0.000000 0.247927 0.747927 O\n0.500000 0.125717 0.625717 O\n0.000000 0.500000 0.000000 O\n0.000000 0.747927 0.752072 O\n0.000000 0.000000 0.500000 O\n0.000000 0.252073 0.247927 O\n0.500000 0.874283 0.374283 O\n0.500000 0.500000 0.500000 O\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Bi",
"O"
],
"chemical_system": "Bi-O",
"density": 8.248554421006222,
"density_atomic": 0.05330292558678556,
"volume": 375.2139264370555,
"volume_molar": 11.297955400581168,
"formula_full": "Bi8 O12",
"formula_reduced": "Bi2O3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.70285382,
"spacegroup": 117
},
{
"id": "jvasp-98977",
"created_at": "2022-09-04T14:35:44.934183Z",
"updated_at": "2022-09-04T14:35:44.934208Z",
"structure_string": "Sn8 S12\n1.0\n3.821539 -0.000000 0.000000\n0.000000 8.992395 0.000000\n0.000000 0.000000 14.072419\nSn S\n8 12\ndirect\n0.250000 0.012893 0.330709 Sn\n0.250000 0.512893 0.169291 Sn\n0.750000 0.487107 0.830709 Sn\n0.250000 0.666284 0.551308 Sn\n0.750000 0.333716 0.448692 Sn\n0.250000 0.166284 0.948692 Sn\n0.750000 0.833717 0.051308 Sn\n0.750000 0.987107 0.669291 Sn\n0.250000 0.788892 0.713308 S\n0.750000 0.211109 0.286693 S\n0.750000 0.982406 0.892386 S\n0.250000 0.159890 0.506420 S\n0.750000 0.840111 0.493581 S\n0.250000 0.659890 0.993581 S\n0.750000 0.340110 0.006420 S\n0.250000 0.517594 0.392386 S\n0.750000 0.482406 0.607614 S\n0.250000 0.017594 0.107614 S\n0.750000 0.711109 0.213307 S\n0.250000 0.288892 0.786693 S\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Sn",
"S"
],
"chemical_system": "S-Sn",
"density": 4.582180880487367,
"density_atomic": 0.04135686084200611,
"volume": 483.59569833902924,
"volume_molar": 14.561406831640662,
"formula_full": "Sn8 S12",
"formula_reduced": "Sn2S3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.29053068,
"spacegroup": 62
}
]
}