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=-density&page=1120",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density&page=1118",
"results": [
{
"id": "jvasp-92165",
"created_at": "2022-09-04T14:35:57.851324Z",
"updated_at": "2022-09-04T14:35:57.851334Z",
"structure_string": "Nd4 Bi2 N2\n1.0\n4.733068 -0.000000 -0.000000\n-0.000000 4.733068 0.000000\n-0.000000 0.000000 9.385960\nNd Bi N\n4 2 2\ndirect\n0.750000 0.250000 0.000000 Nd\n0.250000 0.750000 0.000000 Nd\n0.750000 0.750000 0.674908 Nd\n0.250000 0.250000 0.325092 Nd\n0.750000 0.750000 0.306603 Bi\n0.250000 0.250000 0.693397 Bi\n0.750000 0.750000 0.918065 N\n0.250000 0.250000 0.081935 N\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Nd",
"Bi",
"N"
],
"chemical_system": "Bi-N-Nd",
"density": 8.07859814583378,
"density_atomic": 0.038047471455961906,
"volume": 210.2636441756612,
"volume_molar": 15.827965774204825,
"formula_full": "Nd4 Bi2 N2",
"formula_reduced": "Nd2BiN",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.0114351375,
"spacegroup": 129
},
{
"id": "jvasp-15951",
"created_at": "2022-09-04T14:37:06.611982Z",
"updated_at": "2022-09-04T14:37:06.612014Z",
"structure_string": "Zn1 Co3 C1\n1.0\n3.738611 -0.000000 -0.000000\n0.000000 3.738611 0.000000\n-0.000000 0.000000 3.738611\nZn Co C\n1 3 1\ndirect\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Co\n0.500000 0.500000 0.000000 Co\n0.500000 0.000000 0.500000 Co\n0.500000 0.500000 0.500000 C\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Zn",
"Co",
"C"
],
"chemical_system": "C-Co-Zn",
"density": 8.078426017130466,
"density_atomic": 0.09568396554025799,
"volume": 52.2553593151018,
"volume_molar": 6.293782585198404,
"formula_full": "Zn1 Co3 C1",
"formula_reduced": "ZnCo3C",
"formula_anonymous": "ABC3",
"energy_above_hull": 3.04225462,
"spacegroup": 221
},
{
"id": "jvasp-16221",
"created_at": "2022-09-04T14:36:19.979852Z",
"updated_at": "2022-09-04T14:36:19.979879Z",
"structure_string": "Ti3 Tl1 N1\n1.0\n4.206064 0.000000 0.000000\n0.000000 4.206064 0.000000\n-0.000000 0.000000 4.206064\nTi Tl N\n3 1 1\ndirect\n0.000000 0.499999 0.499999 Ti\n0.499999 0.499999 0.000000 Ti\n0.499999 0.000000 0.499999 Ti\n0.000000 0.000000 0.000000 Tl\n0.499999 0.499999 0.499999 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ti",
"Tl",
"N"
],
"chemical_system": "N-Ti-Tl",
"density": 8.078286293415246,
"density_atomic": 0.06719583798400676,
"volume": 74.40937043139557,
"volume_molar": 8.96207405201692,
"formula_full": "Ti3 Tl1 N1",
"formula_reduced": "Ti3TlN",
"formula_anonymous": "ABC3",
"energy_above_hull": 3.24337417,
"spacegroup": 221
},
{
"id": "jvasp-102185",
"created_at": "2022-09-04T14:36:43.445515Z",
"updated_at": "2022-09-04T14:36:43.445542Z",
"structure_string": "Ni6 Sn1 Se2\n1.0\n3.629817 -0.018022 -9.028148\n-0.152622 3.626652 -9.028148\n0.017365 0.018022 9.730506\nNi Sn Se\n6 1 2\ndirect\n0.501387 0.501386 0.000000 Ni\n0.900022 0.400021 0.500001 Ni\n0.400022 0.900020 0.500001 Ni\n0.102144 0.602142 0.500001 Ni\n0.602144 0.102143 0.500001 Ni\n0.800773 0.800772 0.000001 Ni\n0.000522 0.000522 0.000000 Sn\n0.316308 0.316307 0.000000 Se\n0.678186 0.678185 0.000001 Se\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ni",
"Sn",
"Se"
],
"chemical_system": "Ni-Se-Sn",
"density": 8.078180830593345,
"density_atomic": 0.06963075113271558,
"volume": 129.25323730669058,
"volume_molar": 8.648679874961934,
"formula_full": "Ni6 Sn1 Se2",
"formula_reduced": "Ni6SnSe2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 1.2168980925925927,
"spacegroup": 107
},
{
"id": "jvasp-15449",
"created_at": "2022-09-04T14:35:43.140368Z",
"updated_at": "2022-09-04T14:35:43.140416Z",
"structure_string": "Nd2 Ag2 Sn2\n1.0\n2.398251 -4.153893 -0.000000\n2.398251 4.153893 0.000000\n0.000000 -0.000000 7.651703\nNd Ag Sn\n2 2 2\ndirect\n0.000000 0.000000 0.761068 Nd\n0.000000 0.000000 0.261068 Nd\n0.666667 0.333333 0.958110 Ag\n0.333333 0.666667 0.458110 Ag\n0.333333 0.666667 0.040821 Sn\n0.666667 0.333333 0.540821 Sn\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Nd",
"Ag",
"Sn"
],
"chemical_system": "Ag-Nd-Sn",
"density": 8.078010941620708,
"density_atomic": 0.03935620467930662,
"volume": 152.45372486729605,
"volume_molar": 15.301629842286152,
"formula_full": "Nd2 Ag2 Sn2",
"formula_reduced": "NdAgSn",
"formula_anonymous": "ABC",
"energy_above_hull": 0.31592682,
"spacegroup": 186
},
{
"id": "jvasp-9284",
"created_at": "2022-09-04T14:38:04.359961Z",
"updated_at": "2022-09-04T14:38:04.359988Z",
"structure_string": "Zn1 Bi4 O8\n1.0\n3.503546 -0.026217 -0.190215\n1.635342 6.870591 0.349383\n1.179116 2.562032 8.874157\nZn Bi O\n1 4 8\ndirect\n0.582821 0.808640 0.808876 Zn\n0.426383 0.731516 0.486020 Bi\n-0.010197 0.300094 0.854117 Bi\n0.084154 0.641218 0.120202 Bi\n0.723337 0.188803 0.479508 Bi\n0.168208 0.386697 0.327210 O\n0.509716 0.766729 0.201353 O\n0.546101 0.262377 0.720844 O\n0.903041 0.614872 0.697300 O\n0.855714 -0.061698 0.379160 O\n0.026906 0.878238 0.901994 O\n0.309996 0.970668 0.601444 O\n0.651424 0.521202 0.013183 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Zn",
"Bi",
"O"
],
"chemical_system": "Bi-O-Zn",
"density": 8.078008923623724,
"density_atomic": 0.06143922445160933,
"volume": 211.59121255248007,
"volume_molar": 9.801785119770107,
"formula_full": "Zn1 Bi4 O8",
"formula_reduced": "Zn(BiO2)4",
"formula_anonymous": "AB4C8",
"energy_above_hull": 1.9216388923076924,
"spacegroup": 1
},
{
"id": "jvasp-23412",
"created_at": "2022-09-04T14:37:32.368414Z",
"updated_at": "2022-09-04T14:37:32.368444Z",
"structure_string": "Ca4 In4 Au4\n1.0\n4.621424 0.000000 0.000000\n-0.000000 7.328328 0.000000\n0.000000 0.000000 8.543682\nCa In Au\n4 4 4\ndirect\n0.749999 0.973130 0.685501 Ca\n0.250000 0.026871 0.314499 Ca\n0.749999 0.473130 0.814499 Ca\n0.250000 0.526871 0.185501 Ca\n0.749999 0.340114 0.437127 In\n0.250000 0.159886 0.937127 In\n0.250000 0.659887 0.562873 In\n0.749999 0.840114 0.062873 In\n0.250000 0.763672 0.880228 Au\n0.250000 0.263672 0.619772 Au\n0.749999 0.736328 0.380228 Au\n0.749999 0.236328 0.119772 Au\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ca",
"In",
"Au"
],
"chemical_system": "Au-Ca-In",
"density": 8.077116893462383,
"density_atomic": 0.04147204548280372,
"volume": 289.3515345168053,
"volume_molar": 14.520963916518335,
"formula_full": "Ca4 In4 Au4",
"formula_reduced": "CaInAu",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-21818",
"created_at": "2022-09-04T14:37:29.506559Z",
"updated_at": "2022-09-04T14:37:29.506584Z",
"structure_string": "Tb4 Al4 Pd4\n1.0\n4.438949 0.000000 0.000000\n-0.000000 6.940754 0.000000\n0.000000 0.000000 7.802867\nTb Al Pd\n4 4 4\ndirect\n0.250000 0.532523 0.819675 Tb\n0.750000 0.467476 0.180325 Tb\n0.250000 0.032523 0.680326 Tb\n0.750000 0.967476 0.319675 Tb\n0.250000 0.644844 0.435995 Al\n0.750000 0.355155 0.564006 Al\n0.250000 0.144844 0.064006 Al\n0.750000 0.855155 0.935995 Al\n0.750000 0.727514 0.615837 Pd\n0.250000 0.272486 0.384163 Pd\n0.750000 0.227514 0.884164 Pd\n0.250000 0.772485 0.115837 Pd\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Tb",
"Al",
"Pd"
],
"chemical_system": "Al-Pd-Tb",
"density": 8.076753733806761,
"density_atomic": 0.04991605266137868,
"volume": 240.4036248900888,
"volume_molar": 12.064537235852953,
"formula_full": "Tb4 Al4 Pd4",
"formula_reduced": "TbAlPd",
"formula_anonymous": "ABC",
"energy_above_hull": 1.1136123000000002,
"spacegroup": 62
},
{
"id": "jvasp-50107",
"created_at": "2022-09-04T14:35:44.216632Z",
"updated_at": "2022-09-04T14:35:44.216662Z",
"structure_string": "Tb2 Se1 O2\n1.0\n1.928853 -3.340872 -0.000000\n1.928853 3.340872 0.000000\n0.000000 -0.000000 6.840616\nTb Se O\n2 1 2\ndirect\n0.666666 0.333332 0.289886 Tb\n0.333332 0.666666 0.710115 Tb\n0.000000 0.000000 0.000000 Se\n0.666666 0.333332 0.625855 O\n0.333332 0.666666 0.374145 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Tb",
"Se",
"O"
],
"chemical_system": "O-Se-Tb",
"density": 8.076613875002952,
"density_atomic": 0.05671341893806603,
"volume": 88.16255647469,
"volume_molar": 10.61854649704065,
"formula_full": "Tb2 Se1 O2",
"formula_reduced": "Tb2SeO2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.2691354333333331,
"spacegroup": 164
},
{
"id": "jvasp-15688",
"created_at": "2022-09-04T14:36:44.881477Z",
"updated_at": "2022-09-04T14:36:44.881497Z",
"structure_string": "Ho1 Ni2 B2 C1\n1.0\n3.368876 -0.000000 -1.067635\n-0.338346 3.351842 -1.067635\n-0.024952 -0.027597 5.770252\nHo Ni B C\n1 2 2 1\ndirect\n0.000000 0.000000 0.000000 Ho\n0.250000 0.749999 0.499999 Ni\n0.750001 0.249999 0.499999 Ni\n0.357328 0.357327 0.714654 B\n0.642673 0.642672 0.285344 B\n0.500000 0.500000 -0.000001 C\n",
"nsites": 6,
"nelements": 4,
"elements": [
"Ho",
"Ni",
"B",
"C"
],
"chemical_system": "B-C-Ho-Ni",
"density": 8.076609430347398,
"density_atomic": 0.09236620967830374,
"volume": 64.95882012369036,
"volume_molar": 6.519852639806399,
"formula_full": "Ho1 Ni2 B2 C1",
"formula_reduced": "HoNi2B2C",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 3.318959255555556,
"spacegroup": 139
},
{
"id": "jvasp-82066",
"created_at": "2022-09-04T14:37:16.806373Z",
"updated_at": "2022-09-04T14:37:16.806401Z",
"structure_string": "Sc2 Hg1 Pt1\n1.0\n-12.027820 -0.000000 -6.944266\n-7.334995 -0.455363 -1.183947\n-6.239611 2.642848 -3.081207\nSc Hg Pt\n2 1 1\ndirect\n0.818118 -0.000001 -0.000000 Sc\n0.181883 -0.000000 -0.000000 Sc\n0.500000 -0.000001 -0.000000 Hg\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Hg",
"Pt"
],
"chemical_system": "Hg-Pt-Sc",
"density": 8.076557075771051,
"density_atomic": 0.040065554782979476,
"volume": 99.83638119243685,
"volume_molar": 15.030718512746782,
"formula_full": "Sc2 Hg1 Pt1",
"formula_reduced": "Sc2HgPt",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.545606625,
"spacegroup": 139
},
{
"id": "jvasp-75543",
"created_at": "2022-09-04T14:35:42.154471Z",
"updated_at": "2022-09-04T14:35:42.154498Z",
"structure_string": "Co2 Sn1 As1\n1.0\n0.000000 3.175558 3.175558\n3.175558 0.000000 3.175558\n3.175558 3.175558 0.000000\nCo Sn As\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Co\n0.250000 0.250000 0.250000 Co\n0.750000 0.750000 0.750000 Sn\n0.500000 0.500000 0.500000 As\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Co",
"Sn",
"As"
],
"chemical_system": "As-Co-Sn",
"density": 8.076332724427145,
"density_atomic": 0.06245537893570664,
"volume": 64.04572461433169,
"volume_molar": 9.642309217592553,
"formula_full": "Co2 Sn1 As1",
"formula_reduced": "Co2SnAs",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.4634588125000003,
"spacegroup": 216
}
]
}