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=221",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nelements&page=219",
"results": [
{
"id": "jvasp-91688",
"created_at": "2022-09-04T14:36:11.289421Z",
"updated_at": "2022-09-04T14:36:11.289449Z",
"structure_string": "Pr6 Al2\n1.0\n0.000000 0.000000 -5.447442\n-3.568248 -6.180493 0.000000\n-3.568248 6.180493 0.000000\nPr Al\n6 2\ndirect\n0.750000 0.178004 0.356008 Pr\n0.750000 0.178014 0.821987 Pr\n0.750000 0.643993 0.821996 Pr\n0.250000 0.821996 0.643993 Pr\n0.250000 0.821987 0.178014 Pr\n0.250000 0.356008 0.178004 Pr\n0.750000 0.666670 0.333331 Al\n0.250000 0.333331 0.666670 Al\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Pr",
"Al"
],
"chemical_system": "Al-Pr",
"density": 6.215921983950361,
"density_atomic": 0.033295782543775694,
"volume": 240.27067060165908,
"volume_molar": 18.086797485784814,
"formula_full": "Pr6 Al2",
"formula_reduced": "Pr3Al",
"formula_anonymous": "AB3",
"energy_above_hull": 1.6394780875,
"spacegroup": 194
},
{
"id": "jvasp-90843",
"created_at": "2022-09-04T14:36:09.453745Z",
"updated_at": "2022-09-04T14:36:09.453772Z",
"structure_string": "K2 Se6\n1.0\n-0.000000 -5.385399 -0.000000\n8.307272 -2.692700 -4.068385\n4.626407 -2.692700 3.157990\nK Se\n2 6\ndirect\n-0.014296 0.249697 0.610783 K\n0.846183 0.750302 0.389218 K\n0.304262 0.491977 0.737121 Se\n0.533359 0.508023 0.262880 Se\n0.193178 0.863800 0.737036 Se\n0.794013 0.136200 0.262965 Se\n0.266743 0.199341 0.072472 Se\n0.538558 0.800658 -0.072471 Se\n",
"nsites": 8,
"nelements": 2,
"elements": [
"K",
"Se"
],
"chemical_system": "K-Se",
"density": 3.7772936260864363,
"density_atomic": 0.03296982975256293,
"volume": 242.646081585487,
"volume_molar": 18.26561072712808,
"formula_full": "K2 Se6",
"formula_reduced": "KSe3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.8900258541666667,
"spacegroup": 5
},
{
"id": "jvasp-4083",
"created_at": "2022-09-04T14:36:35.947051Z",
"updated_at": "2022-09-04T14:36:35.947076Z",
"structure_string": "Cl4 F4\n1.0\n0.000000 6.225525 -0.145101\n3.779303 0.000000 0.000000\n0.000000 -1.784178 -6.199934\nCl F\n4 4\ndirect\n0.838929 0.498730 0.208390 Cl\n0.161070 0.998729 0.291610 Cl\n0.161070 0.501270 0.791609 Cl\n0.838928 0.001270 0.708389 Cl\n0.620486 0.217528 0.150861 F\n0.379513 0.717527 0.349139 F\n0.379513 0.782471 0.849138 F\n0.620485 0.282472 0.650860 F\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Cl",
"F"
],
"chemical_system": "Cl-F",
"density": 2.4628627001281944,
"density_atomic": 0.05447685453898892,
"volume": 146.8513567404011,
"volume_molar": 11.054494263595878,
"formula_full": "Cl4 F4",
"formula_reduced": "ClF",
"formula_anonymous": "AB",
"energy_above_hull": 0.0,
"spacegroup": 14
},
{
"id": "jvasp-79187",
"created_at": "2022-09-04T14:36:36.102865Z",
"updated_at": "2022-09-04T14:36:36.102895Z",
"structure_string": "Mg3 W1\n1.0\n6.102460 0.268048 -0.000000\n-1.409546 2.441406 0.000000\n0.000000 -0.000000 4.910651\nMg W\n3 1\ndirect\n0.650674 0.650675 0.250000 Mg\n0.329959 0.329960 0.750000 Mg\n0.868163 0.368165 0.750000 Mg\n0.151205 0.651206 0.250000 W\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"W"
],
"chemical_system": "Mg-W",
"density": 5.683392838427137,
"density_atomic": 0.05332116870824249,
"volume": 75.01711040669055,
"volume_molar": 11.294089956938784,
"formula_full": "Mg3 W1",
"formula_reduced": "Mg3W",
"formula_anonymous": "AB3",
"energy_above_hull": 1.4385567875,
"spacegroup": 25
},
{
"id": "jvasp-90829",
"created_at": "2022-09-04T14:36:16.055689Z",
"updated_at": "2022-09-04T14:36:16.055723Z",
"structure_string": "Tb2 Sn6\n1.0\n4.431591 0.000000 0.000000\n0.000000 4.457196 0.000000\n0.000000 -2.228598 11.087169\nTb Sn\n2 6\ndirect\n0.500000 0.482332 0.964665 Tb\n0.000000 0.209637 0.419272 Tb\n0.500000 0.098213 0.196428 Sn\n0.500000 0.734592 0.469183 Sn\n0.500000 0.868597 0.737195 Sn\n0.000000 0.975472 0.950944 Sn\n0.000000 0.358985 0.717970 Sn\n0.000000 0.598172 0.196344 Sn\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Tb",
"Sn"
],
"chemical_system": "Sn-Tb",
"density": 7.810717393804865,
"density_atomic": 0.03652985225632803,
"volume": 218.99896949663045,
"volume_molar": 16.485532757545688,
"formula_full": "Tb2 Sn6",
"formula_reduced": "TbSn3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.571758375,
"spacegroup": 38
},
{
"id": "jvasp-18619",
"created_at": "2022-09-04T14:36:09.331528Z",
"updated_at": "2022-09-04T14:36:09.331555Z",
"structure_string": "Mn2 Au1\n1.0\n2.551623 0.000000 -0.926587\n-0.336477 2.529341 -0.926587\n0.616067 0.703450 5.673131\nMn Au\n2 1\ndirect\n0.692611 0.692612 0.385222 Mn\n0.307388 0.307388 0.614776 Mn\n0.000000 0.000000 0.000000 Au\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Mn",
"Au"
],
"chemical_system": "Au-Mn",
"density": 12.757147548600052,
"density_atomic": 0.07511211626572528,
"volume": 39.94029391192833,
"volume_molar": 8.01753573111345,
"formula_full": "Mn2 Au1",
"formula_reduced": "Mn2Au",
"formula_anonymous": "AB2",
"energy_above_hull": 2.7102440175862066,
"spacegroup": 139
},
{
"id": "jvasp-102964",
"created_at": "2022-09-04T14:36:35.591119Z",
"updated_at": "2022-09-04T14:36:35.591148Z",
"structure_string": "Na1 Sn3\n1.0\n4.313869 -0.019479 -4.029227\n-0.826867 4.233927 -4.029227\n0.016117 0.019479 5.902870\nNa Sn\n1 3\ndirect\n0.000000 0.000000 0.000000 Na\n0.750000 0.250000 0.500000 Sn\n0.250000 0.750001 0.500000 Sn\n0.500000 0.500000 -0.000000 Sn\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Na",
"Sn"
],
"chemical_system": "Na-Sn",
"density": 5.807690047320975,
"density_atomic": 0.03690097937538446,
"volume": 108.39820697735412,
"volume_molar": 16.319731513731018,
"formula_full": "Na1 Sn3",
"formula_reduced": "NaSn3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.271278605,
"spacegroup": 139
},
{
"id": "jvasp-52899",
"created_at": "2022-09-04T14:36:14.270900Z",
"updated_at": "2022-09-04T14:36:14.270916Z",
"structure_string": "H8 O4\n1.0\n-2.349207 2.349207 3.389515\n2.349207 -2.349207 3.389515\n2.349207 2.349207 -3.389515\nH O\n8 4\ndirect\n0.802081 0.721514 0.419435 H\n0.721515 0.802081 0.919436 H\n0.382646 0.802081 0.580566 H\n0.802081 0.382646 0.080566 H\n0.197919 0.278486 0.580566 H\n0.278485 0.197919 0.080566 H\n0.617354 0.197919 0.419435 H\n0.197919 0.617354 0.919436 H\n0.889904 0.639904 0.250000 O\n0.639905 0.889905 0.750001 O\n0.110096 0.360096 0.750001 O\n0.360095 0.110095 0.250000 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
"H",
"O"
],
"chemical_system": "H-O",
"density": 1.5992265132554102,
"density_atomic": 0.1603766442699132,
"volume": 74.82386263054646,
"volume_molar": 3.754998608067122,
"formula_full": "H8 O4",
"formula_reduced": "H2O",
"formula_anonymous": "AB2",
"energy_above_hull": 1.9077478333333333,
"spacegroup": 141
},
{
"id": "jvasp-79563",
"created_at": "2022-09-04T14:36:39.594455Z",
"updated_at": "2022-09-04T14:36:39.594471Z",
"structure_string": "Mo2 N2\n1.0\n-1.432497 -2.481155 0.000000\n-1.432497 2.481155 0.000000\n0.000000 0.000000 -5.697724\nMo N\n2 2\ndirect\n1.000000 0.000002 0.944115 Mo\n0.000002 1.000000 0.444116 Mo\n0.666668 0.333334 0.694133 N\n0.333334 0.666668 0.194134 N\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mo",
"N"
],
"chemical_system": "Mo-N",
"density": 9.015343343135514,
"density_atomic": 0.09875997484390726,
"volume": 40.50223793922695,
"volume_molar": 6.097754449125926,
"formula_full": "Mo2 N2",
"formula_reduced": "MoN",
"formula_anonymous": "AB",
"energy_above_hull": 3.429929575,
"spacegroup": 194
},
{
"id": "jvasp-93799",
"created_at": "2022-09-04T14:36:11.307216Z",
"updated_at": "2022-09-04T14:36:11.307237Z",
"structure_string": "Re2 N4\n1.0\n0.000000 0.000000 2.835179\n3.861840 2.867977 0.000000\n-3.861840 2.867977 0.000000\nRe N\n2 4\ndirect\n0.000000 0.000000 0.500000 Re\n0.000000 0.500000 0.000000 Re\n0.500000 0.312054 0.687947 N\n0.500000 0.687947 0.312054 N\n0.000000 0.886587 0.886587 N\n0.000000 0.113415 0.113415 N\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Re",
"N"
],
"chemical_system": "N-Re",
"density": 11.328163256437172,
"density_atomic": 0.09553683081457218,
"volume": 62.803004337096176,
"volume_molar": 6.3034755378147285,
"formula_full": "Re2 N4",
"formula_reduced": "ReN2",
"formula_anonymous": "AB2",
"energy_above_hull": 5.165851499999999,
"spacegroup": 65
},
{
"id": "jvasp-93955",
"created_at": "2022-09-04T14:36:20.359428Z",
"updated_at": "2022-09-04T14:36:20.359449Z",
"structure_string": "Cu2 O4\n1.0\n3.079206 -0.000811 -0.010025\n1.538977 2.929829 -0.600454\n0.023127 -1.523296 7.396140\nCu O\n2 4\ndirect\n-0.013895 0.027780 0.754260 Cu\n0.013919 -0.027787 0.245739 Cu\n0.558768 0.882471 0.895035 O\n0.475040 0.049946 0.415506 O\n0.441215 0.117524 0.104969 O\n0.524962 0.950064 0.584490 O\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Cu",
"O"
],
"chemical_system": "Cu-O",
"density": 4.9625248319925,
"density_atomic": 0.09383563440474565,
"volume": 63.94159359673445,
"volume_molar": 6.417754617637493,
"formula_full": "Cu2 O4",
"formula_reduced": "CuO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.265014270833333,
"spacegroup": 12
},
{
"id": "jvasp-86721",
"created_at": "2022-09-04T14:36:20.364488Z",
"updated_at": "2022-09-04T14:36:20.364516Z",
"structure_string": "Fe4 C2\n1.0\n3.691192 -0.000000 0.000000\n-1.845596 3.196665 -0.000000\n-0.000000 0.000000 5.237383\nFe C\n4 2\ndirect\n0.333333 0.666668 0.000000 Fe\n0.666667 0.333334 0.000000 Fe\n0.333333 0.666668 0.500000 Fe\n0.666667 0.333334 0.500000 Fe\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Fe",
"C"
],
"chemical_system": "C-Fe",
"density": 6.647726664747652,
"density_atomic": 0.09708969890134113,
"volume": 61.798523096636366,
"volume_molar": 6.202656747467588,
"formula_full": "Fe4 C2",
"formula_reduced": "Fe2C",
"formula_anonymous": "AB2",
"energy_above_hull": 4.159683666666667,
"spacegroup": 191
}
]
}