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=-volume&page=664",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=662",
"results": [
{
"id": "jvasp-101863",
"created_at": "2022-09-04T14:36:47.205372Z",
"updated_at": "2022-09-04T14:36:47.205391Z",
"structure_string": "H14 C16 N2 O2\n1.0\n5.731462 0.037925 -1.171356\n-2.298354 7.140469 -1.125092\n-0.341907 -0.128822 7.392738\nH C N O\n14 16 2 2\ndirect\n0.060469 0.252721 0.025075 H\n0.903135 0.418472 0.377185 H\n0.695392 0.485510 0.205333 H\n0.710699 0.737536 0.063328 H\n0.332514 0.558196 0.997489 H\n0.652413 0.685129 0.431936 H\n0.604747 0.759402 0.726171 H\n0.211324 0.560413 0.654050 H\n0.141382 0.985553 0.504443 H\n0.168776 0.228546 0.362223 H\n0.658845 0.046051 0.945871 H\n0.766839 0.022868 0.285898 H\n0.117200 0.190380 0.732548 H\n0.338584 0.908444 0.672447 H\n0.172687 0.601909 0.937457 C\n0.087654 0.623546 0.253129 C\n0.821939 0.699547 0.974730 C\n0.761525 0.712688 0.786258 C\n0.866335 0.540037 0.325522 C\n0.030159 0.644968 0.055788 C\n0.895933 0.657857 0.664830 C\n0.104215 0.602049 0.744561 C\n0.351183 0.150708 0.961744 C\n0.275938 0.187556 0.271292 C\n0.216575 0.204251 0.083656 C\n0.314540 0.033643 0.622280 C\n0.476745 0.123966 0.348286 C\n0.613531 0.074670 0.227772 C\n0.551951 0.085277 0.037608 C\n0.535687 0.103944 0.546370 C\n0.281981 0.163024 0.773939 N\n0.819820 0.661861 0.475151 N\n0.749611 0.123978 0.646190 O\n0.302383 0.650902 0.356975 O\n",
"nsites": 34,
"nelements": 4,
"elements": [
"H",
"C",
"N",
"O"
],
"chemical_system": "C-H-N-O",
"density": 1.4780546816196007,
"density_atomic": 0.11364701321350763,
"volume": 299.1719627169128,
"volume_molar": 5.2989872674315315,
"formula_full": "H14 C16 N2 O2",
"formula_reduced": "H7C8NO",
"formula_anonymous": "ABC7D8",
"energy_above_hull": 5.435025691176469,
"spacegroup": 1
},
{
"id": "jvasp-22221",
"created_at": "2022-09-04T14:37:37.919021Z",
"updated_at": "2022-09-04T14:37:37.919039Z",
"structure_string": "Dy4 Co6 Si10\n1.0\n5.220393 -0.003240 -1.820665\n-2.917150 7.289721 -0.460746\n-0.017904 0.020459 7.865198\nDy Co Si\n4 6 10\ndirect\n0.734766 0.598001 0.869510 Dy\n0.265234 0.401999 0.130490 Dy\n0.234766 0.869510 0.598001 Dy\n0.765234 0.130490 0.402000 Dy\n0.250001 0.004149 0.995851 Co\n0.625386 0.739429 0.463310 Co\n0.125386 0.463310 0.739429 Co\n0.374614 0.260571 0.536690 Co\n0.750000 0.995851 0.004149 Co\n0.874614 0.536690 0.260572 Co\n0.250000 0.768999 0.231001 Si\n0.665438 0.261236 0.062752 Si\n0.165438 0.062752 0.261236 Si\n0.750000 0.783594 0.216406 Si\n0.250000 0.216406 0.783595 Si\n0.750000 0.489688 0.510312 Si\n0.250000 0.510312 0.489688 Si\n0.750000 0.231001 0.768999 Si\n0.834562 0.937248 0.738764 Si\n0.334562 0.738764 0.937248 Si\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Dy",
"Co",
"Si"
],
"chemical_system": "Co-Dy-Si",
"density": 7.129640401162723,
"density_atomic": 0.0668543869943175,
"volume": 299.1576304738231,
"volume_molar": 9.00784680070714,
"formula_full": "Dy4 Co6 Si10",
"formula_reduced": "Dy2Co3Si5",
"formula_anonymous": "A2B3C5",
"energy_above_hull": 3.32247387,
"spacegroup": 15
},
{
"id": "jvasp-13803",
"created_at": "2022-09-04T14:37:11.564227Z",
"updated_at": "2022-09-04T14:37:11.564247Z",
"structure_string": "Tl4 Ag4 Se4\n1.0\n4.680446 0.000000 0.000000\n-0.000000 7.629126 0.000000\n0.000000 0.000000 8.377793\nTl Ag Se\n4 4 4\ndirect\n0.750001 0.180580 0.006003 Tl\n0.250000 0.819421 0.993996 Tl\n0.750001 0.319420 0.506003 Tl\n0.250000 0.680580 0.493997 Tl\n0.250000 0.086606 0.676685 Ag\n0.750001 0.913395 0.323315 Ag\n0.250000 0.413395 0.176685 Ag\n0.750001 0.586606 0.823315 Ag\n0.750001 0.598429 0.182303 Se\n0.250000 0.401571 0.817696 Se\n0.750001 0.901572 0.682303 Se\n0.250000 0.098429 0.317696 Se\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Tl",
"Ag",
"Se"
],
"chemical_system": "Ag-Se-Tl",
"density": 8.686184492144012,
"density_atomic": 0.04011341105547565,
"volume": 299.15182190326215,
"volume_molar": 15.012786500932465,
"formula_full": "Tl4 Ag4 Se4",
"formula_reduced": "TlAgSe",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0575977422222221,
"spacegroup": 62
},
{
"id": "jvasp-13127",
"created_at": "2022-09-04T14:37:08.084358Z",
"updated_at": "2022-09-04T14:37:08.084380Z",
"structure_string": "U3 Al12 Co3\n1.0\n4.589168 -7.948674 -0.000000\n4.589168 7.948674 -0.000000\n-0.000000 -0.000000 4.100397\nU Al Co\n3 12 3\ndirect\n0.589912 0.589912 0.000000 U\n0.000000 0.410088 0.000000 U\n0.410088 0.000000 0.000000 U\n0.184416 0.704798 0.500000 Al\n0.520383 0.815585 0.500000 Al\n0.295202 0.479617 0.500000 Al\n0.704798 0.184416 0.500000 Al\n0.479617 0.295202 0.500000 Al\n0.815585 0.520383 0.500000 Al\n0.168947 0.000000 0.500000 Al\n0.000000 0.168947 0.500000 Al\n0.831053 0.831053 0.500000 Al\n0.743548 0.000000 0.000000 Al\n0.000000 0.743548 0.000000 Al\n0.256452 0.256452 0.000000 Al\n0.333333 0.666667 0.000000 Co\n0.666667 0.333333 0.000000 Co\n0.000000 0.000000 0.000000 Co\n",
"nsites": 18,
"nelements": 3,
"elements": [
"U",
"Al",
"Co"
],
"chemical_system": "Al-Co-U",
"density": 6.742500555231598,
"density_atomic": 0.060171101269549145,
"volume": 299.1469263519908,
"volume_molar": 10.008360546739123,
"formula_full": "U3 Al12 Co3",
"formula_reduced": "UAl4Co",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.9046113500000006,
"spacegroup": 189
},
{
"id": "jvasp-107987",
"created_at": "2022-09-04T14:36:03.111713Z",
"updated_at": "2022-09-04T14:36:03.111744Z",
"structure_string": "Sr2 Nd6\n1.0\n7.584398 0.000000 0.000000\n-3.792199 6.568281 0.000000\n0.000000 -0.000000 6.004771\nSr Nd\n2 6\ndirect\n0.333333 0.666667 0.750000 Sr\n0.666667 0.333333 0.250000 Sr\n0.160794 0.321588 0.250000 Nd\n0.678412 0.839206 0.250000 Nd\n0.160793 0.839206 0.250000 Nd\n0.839207 0.678412 0.750000 Nd\n0.321588 0.160793 0.750000 Nd\n0.839207 0.160793 0.750000 Nd\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Sr",
"Nd"
],
"chemical_system": "Nd-Sr",
"density": 5.776995438639949,
"density_atomic": 0.026743651119363155,
"volume": 299.13641799671007,
"volume_molar": 22.51802019522982,
"formula_full": "Sr2 Nd6",
"formula_reduced": "SrNd3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.1137952025000002,
"spacegroup": 194
},
{
"id": "jvasp-20437",
"created_at": "2022-09-04T14:37:43.561417Z",
"updated_at": "2022-09-04T14:37:43.561444Z",
"structure_string": "Tm4 Mg8\n1.0\n2.989067 -5.177216 -0.000000\n2.989067 5.177216 -0.000000\n0.000000 0.000000 9.664464\nTm Mg\n4 8\ndirect\n0.666668 0.333333 0.063778 Tm\n0.333333 0.666668 0.563777 Tm\n0.333333 0.666668 0.936222 Tm\n0.666668 0.333333 0.436222 Tm\n0.171111 0.342221 0.250000 Mg\n0.342221 0.171111 0.750000 Mg\n0.828890 0.171111 0.750000 Mg\n0.171111 0.828890 0.250000 Mg\n0.000000 0.000000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.828890 0.657780 0.750000 Mg\n0.657780 0.828890 0.250000 Mg\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Tm",
"Mg"
],
"chemical_system": "Mg-Tm",
"density": 4.830776165064629,
"density_atomic": 0.04011820961283082,
"volume": 299.1160402173604,
"volume_molar": 15.010990814689713,
"formula_full": "Tm4 Mg8",
"formula_reduced": "TmMg2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.371510548611111,
"spacegroup": 194
},
{
"id": "jvasp-43381",
"created_at": "2022-09-04T14:38:12.497209Z",
"updated_at": "2022-09-04T14:38:12.497233Z",
"structure_string": "Li4 Ti6 Nb2 O16\n1.0\n5.945757 -0.000015 0.000004\n-2.972892 5.149200 -0.000007\n-0.000039 0.000068 9.769822\nLi Ti Nb O\n4 6 2 16\ndirect\n0.333348 0.666686 0.902984 Li\n0.000027 0.000020 0.994044 Li\n-0.000026 0.999994 0.494043 Li\n0.666652 0.333338 0.402984 Li\n0.169574 0.339163 0.216490 Ti\n0.169575 0.830432 0.216492 Ti\n0.830426 0.660857 0.716491 Ti\n0.339154 0.169591 0.716484 Ti\n0.660846 0.830435 0.216484 Ti\n0.830426 0.169589 0.716489 Ti\n0.333328 0.666674 0.486367 Nb\n0.666672 0.333346 0.986367 Nb\n0.325864 0.162942 0.096312 O\n0.837074 0.674160 0.096305 O\n0.666673 0.333349 0.605944 O\n0.515397 0.030809 0.837896 O\n0.515397 0.484610 0.837896 O\n0.674136 0.837078 0.596312 O\n0.484603 0.515412 0.337896 O\n0.030785 0.515402 0.337894 O\n0.162924 0.325857 0.596303 O\n0.000003 0.000013 0.812504 O\n-0.000003 0.000009 0.312504 O\n0.333327 0.666676 0.105944 O\n0.969215 0.484616 0.837895 O\n0.162927 0.837088 0.596305 O\n0.484604 0.969214 0.337896 O\n0.837077 0.162932 0.096302 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Ti",
"Nb",
"O"
],
"chemical_system": "Li-Nb-O-Ti",
"density": 4.201260275597622,
"density_atomic": 0.09361061452584578,
"volume": 299.1113790014618,
"volume_molar": 6.433181525944683,
"formula_full": "Li4 Ti6 Nb2 O16",
"formula_reduced": "Li2Ti3NbO8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 3.1175687428571432,
"spacegroup": 186
},
{
"id": "jvasp-50087",
"created_at": "2022-09-04T14:37:06.471777Z",
"updated_at": "2022-09-04T14:37:06.471801Z",
"structure_string": "Tb6 Sb2 O14\n1.0\n5.297648 3.742996 0.000000\n-5.297648 3.742996 0.000000\n0.000000 0.000000 7.540564\nTb Sb O\n6 2 14\ndirect\n0.000077 0.467655 0.500020 Tb\n0.532346 -0.000076 0.499980 Tb\n0.500031 0.500031 0.750000 Tb\n0.499970 0.499970 0.250000 Tb\n-0.000076 0.532346 0.000020 Tb\n0.467655 0.000077 -0.000020 Tb\n0.000006 0.000006 0.250000 Sb\n-0.000006 -0.000006 0.750000 Sb\n0.321761 0.072871 0.279959 O\n0.927130 0.678240 0.720040 O\n0.630172 0.369829 0.000000 O\n0.927182 0.678277 0.279997 O\n0.321724 0.072819 0.720002 O\n0.072819 0.321724 0.779997 O\n0.072871 0.321761 0.220040 O\n0.369829 0.630172 0.500000 O\n0.678240 0.927130 0.779959 O\n0.636470 0.363532 0.500000 O\n0.363532 0.636470 0.000000 O\n0.070006 0.929995 0.000000 O\n0.678277 0.927182 0.220002 O\n0.929995 0.070006 0.500000 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Tb",
"Sb",
"O"
],
"chemical_system": "O-Sb-Tb",
"density": 7.8908966611461215,
"density_atomic": 0.07356756699323708,
"volume": 299.0448223199011,
"volume_molar": 8.185863697998336,
"formula_full": "Tb6 Sb2 O14",
"formula_reduced": "Tb3SbO7",
"formula_anonymous": "AB3C7",
"energy_above_hull": 2.2150359818181817,
"spacegroup": 63
},
{
"id": "jvasp-62993",
"created_at": "2022-09-04T14:35:58.409315Z",
"updated_at": "2022-09-04T14:35:58.409339Z",
"structure_string": "Li12 Au4 O12\n1.0\n9.176269 0.000000 0.000000\n0.000000 9.176269 0.000000\n0.000000 0.000000 3.551404\nLi Au O\n12 4 12\ndirect\n0.140579 0.590398 0.000000 Li\n0.859422 0.409602 0.000000 Li\n0.090398 0.359422 0.499999 Li\n0.909602 0.640579 0.499999 Li\n0.640579 0.909602 0.499999 Li\n0.359422 0.090398 0.499999 Li\n0.590398 0.140579 0.000000 Li\n0.409602 0.859422 0.000000 Li\n0.167363 0.167363 0.000000 Li\n0.832637 0.832637 0.000000 Li\n0.667363 0.332637 0.499999 Li\n0.332637 0.667363 0.499999 Li\n0.118538 0.881462 0.499999 Au\n0.881462 0.118538 0.499999 Au\n0.618538 0.618538 0.000000 Au\n0.381462 0.381462 0.000000 Au\n0.380462 0.162391 0.000000 O\n0.619538 0.837609 0.000000 O\n0.662391 0.119538 0.499999 O\n0.337609 0.880462 0.499999 O\n0.880462 0.337609 0.499999 O\n0.119538 0.662391 0.499999 O\n0.162391 0.380462 0.000000 O\n0.837609 0.619538 0.000000 O\n0.606712 0.393289 0.000000 O\n0.393289 0.606712 0.000000 O\n0.893289 0.893289 0.499999 O\n0.106712 0.106712 0.499999 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Li",
"Au",
"O"
],
"chemical_system": "Au-Li-O",
"density": 5.903529372800279,
"density_atomic": 0.09363229732839451,
"volume": 299.042112592797,
"volume_molar": 6.431691768577115,
"formula_full": "Li12 Au4 O12",
"formula_reduced": "Li3AuO3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 1.3652525814285714,
"spacegroup": 136
},
{
"id": "jvasp-110702",
"created_at": "2022-09-04T14:38:38.385399Z",
"updated_at": "2022-09-04T14:38:38.385419Z",
"structure_string": "Rb2 Ag1 Sb1 Cl6\n1.0\n6.500365 -0.000000 3.752988\n2.166788 6.128603 3.752988\n-0.000000 -0.000000 7.505975\nRb Ag Sb Cl\n2 1 1 6\ndirect\n0.750001 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.500001 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Sb\n0.750385 0.249615 0.249615 Cl\n0.249616 0.249615 0.750385 Cl\n0.249616 0.750384 0.750385 Cl\n0.249616 0.750384 0.249616 Cl\n0.750385 0.249615 0.750385 Cl\n0.750386 0.750384 0.249616 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Ag",
"Sb",
"Cl"
],
"chemical_system": "Ag-Cl-Rb-Sb",
"density": 3.4056720704498606,
"density_atomic": 0.033442108664788875,
"volume": 299.0242062854421,
"volume_molar": 18.007658608982094,
"formula_full": "Rb2 Ag1 Sb1 Cl6",
"formula_reduced": "Rb2AgSbCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-86866",
"created_at": "2022-09-04T14:36:00.095252Z",
"updated_at": "2022-09-04T14:36:00.095278Z",
"structure_string": "K1 In9 Ni2\n1.0\n8.884820 0.000000 -0.000000\n-4.442410 7.694479 0.000000\n-0.000000 0.000000 4.373878\nK In Ni\n1 9 2\ndirect\n0.000000 0.000000 0.000000 K\n0.792264 0.584527 0.500000 In\n0.584527 0.792264 0.500000 In\n0.500000 0.500000 0.000000 In\n0.207736 0.415473 0.500000 In\n0.792264 0.207736 0.500000 In\n0.207736 0.792264 0.500000 In\n0.415473 0.207736 0.500000 In\n0.500000 0.000000 0.000000 In\n0.000000 0.500000 0.000000 In\n0.333333 0.666667 0.000000 Ni\n0.666667 0.333333 0.000000 Ni\n",
"nsites": 12,
"nelements": 3,
"elements": [
"K",
"In",
"Ni"
],
"chemical_system": "In-K-Ni",
"density": 6.607630304600623,
"density_atomic": 0.04013162343104211,
"volume": 299.0160619995729,
"volume_molar": 15.00597345718596,
"formula_full": "K1 In9 Ni2",
"formula_reduced": "KIn9Ni2",
"formula_anonymous": "AB2C9",
"energy_above_hull": 0.0,
"spacegroup": 191
},
{
"id": "jvasp-86264",
"created_at": "2022-09-04T14:35:45.615821Z",
"updated_at": "2022-09-04T14:35:45.615854Z",
"structure_string": "K1 In9 Ni2\n1.0\n8.884820 0.000000 -0.000000\n-4.442410 7.694479 0.000000\n0.000000 -0.000000 4.373878\nK In Ni\n1 9 2\ndirect\n0.000000 0.000000 0.000000 K\n0.792264 0.584527 0.500000 In\n0.584527 0.792264 0.500000 In\n0.500000 0.500000 0.000000 In\n0.207736 0.415473 0.500000 In\n0.792264 0.207736 0.500000 In\n0.207736 0.792264 0.500000 In\n0.415473 0.207736 0.500000 In\n0.500000 0.000000 0.000000 In\n0.000000 0.500000 0.000000 In\n0.333333 0.666667 0.000000 Ni\n0.666667 0.333333 0.000000 Ni\n",
"nsites": 12,
"nelements": 3,
"elements": [
"K",
"In",
"Ni"
],
"chemical_system": "In-K-Ni",
"density": 6.607630304600623,
"density_atomic": 0.04013162343104211,
"volume": 299.0160619995729,
"volume_molar": 15.00597345718596,
"formula_full": "K1 In9 Ni2",
"formula_reduced": "KIn9Ni2",
"formula_anonymous": "AB2C9",
"energy_above_hull": 3.816391647148976e-17,
"spacegroup": 191
}
]
}