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=created_at&page=4021",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=created_at&page=4019",
"results": [
{
"id": "jvasp-20774",
"created_at": "2022-09-04T14:38:35.376294Z",
"updated_at": "2022-09-04T14:38:35.376319Z",
"structure_string": "As2 Pd10\n1.0\n4.788577 0.019938 -0.424800\n-1.593070 4.515860 -0.424800\n0.025528 0.036236 8.577043\nAs Pd\n2 10\ndirect\n0.251077 0.205411 0.712342 As\n0.794590 0.748925 0.287657 As\n0.226939 0.702662 0.826520 Pd\n0.297339 0.773062 0.173480 Pd\n0.748328 0.181273 0.826520 Pd\n0.818729 0.251674 0.173480 Pd\n0.670114 0.624447 0.647424 Pd\n0.375554 0.329887 0.352576 Pd\n0.765857 0.720190 0.991874 Pd\n0.279811 0.234145 0.008126 Pd\n0.837365 0.162637 0.500000 Pd\n0.208303 0.791698 0.500000 Pd\n",
"nsites": 12,
"nelements": 2,
"elements": [
"As",
"Pd"
],
"chemical_system": "As-Pd",
"density": 10.844704828592741,
"density_atomic": 0.06455289795388466,
"volume": 185.8940555786135,
"volume_molar": 9.329001409513948,
"formula_full": "As2 Pd10",
"formula_reduced": "AsPd5",
"formula_anonymous": "AB5",
"energy_above_hull": 1.928768375,
"spacegroup": 12
},
{
"id": "jvasp-33312",
"created_at": "2022-09-04T14:38:35.381871Z",
"updated_at": "2022-09-04T14:38:35.381905Z",
"structure_string": "B6 H14 C2 O2\n1.0\n7.782414 -0.065746 1.959358\n-1.109224 5.305745 -1.221220\n-0.013989 -0.023699 5.583632\nB H C O\n6 14 2 2\ndirect\n0.638776 0.823674 0.735081 B\n0.769884 0.577350 0.610990 B\n0.762134 0.773141 0.409051 B\n0.355554 0.163989 0.259415 B\n0.224469 0.410331 0.383524 B\n0.232186 0.214509 0.585447 B\n0.326623 0.304206 0.734170 H\n0.130361 0.017306 0.612680 H\n0.127262 0.369071 0.603837 H\n0.313977 0.619734 0.409421 H\n0.116567 0.364926 0.253755 H\n0.452746 0.079395 0.338769 H\n0.444439 0.301704 0.113852 H\n0.863943 0.970355 0.381790 H\n0.867086 0.618622 0.390676 H\n0.680389 0.367936 0.585121 H\n0.877793 0.622783 0.740750 H\n0.541571 0.908240 0.655722 H\n0.549904 0.685946 0.880636 H\n0.667689 0.683415 0.260342 H\n0.748146 0.044657 0.885102 C\n0.246175 0.943022 0.109386 C\n0.162113 0.779465 0.998832 O\n0.832210 0.208223 0.995650 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"B",
"H",
"C",
"O"
],
"chemical_system": "B-C-H-O",
"density": 0.9741371788378188,
"density_atomic": 0.1042934388501453,
"volume": 230.11994104906785,
"volume_molar": 5.774227819501619,
"formula_full": "B6 H14 C2 O2",
"formula_reduced": "B3H7CO",
"formula_anonymous": "ABC3D7",
"energy_above_hull": 4.043854270833334,
"spacegroup": 2
},
{
"id": "jvasp-56567",
"created_at": "2022-09-04T14:38:35.384302Z",
"updated_at": "2022-09-04T14:38:35.384316Z",
"structure_string": "Mo12 Pt8 N4\n1.0\n6.895414 -0.000000 0.000000\n0.000000 6.895414 -0.000000\n-0.000000 0.000000 6.895414\nMo Pt N\n12 8 4\ndirect\n0.625000 0.700564 0.950564 Mo\n0.799435 0.049435 0.125000 Mo\n0.125000 0.799435 0.049435 Mo\n0.299435 0.450564 0.875000 Mo\n0.049435 0.125000 0.799435 Mo\n0.875000 0.299435 0.450564 Mo\n0.950564 0.625000 0.700564 Mo\n0.375000 0.200565 0.549435 Mo\n0.549435 0.375000 0.200565 Mo\n0.700564 0.950564 0.625000 Mo\n0.450564 0.875000 0.299435 Mo\n0.200565 0.549435 0.375000 Mo\n0.943434 0.443434 0.056565 Pt\n0.056565 0.943434 0.443434 Pt\n0.556565 0.556565 0.556565 Pt\n0.693434 0.306565 0.806565 Pt\n0.806565 0.693434 0.306565 Pt\n0.306565 0.806565 0.693434 Pt\n0.193435 0.193435 0.193435 Pt\n0.443434 0.056565 0.943434 Pt\n0.125000 0.375000 0.625000 N\n0.375000 0.625000 0.125000 N\n0.875000 0.875000 0.875000 N\n0.625000 0.125000 0.375000 N\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Mo",
"Pt",
"N"
],
"chemical_system": "Mo-N-Pt",
"density": 14.019444901042123,
"density_atomic": 0.0732032230307395,
"volume": 327.8544168734472,
"volume_molar": 8.22660602999841,
"formula_full": "Mo12 Pt8 N4",
"formula_reduced": "Mo3Pt2N",
"formula_anonymous": "AB2C3",
"energy_above_hull": 5.175263958333334,
"spacegroup": 213
},
{
"id": "jvasp-20424",
"created_at": "2022-09-04T14:38:35.384879Z",
"updated_at": "2022-09-04T14:38:35.384893Z",
"structure_string": "Np1 As1\n1.0\n3.558409 -0.000000 2.054448\n1.186137 3.354900 2.054448\n0.000000 0.000000 4.108896\nNp As\n1 1\ndirect\n0.500001 0.500000 0.500001 Np\n0.000000 0.000000 0.000000 As\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Np",
"As"
],
"chemical_system": "As-Np",
"density": 10.559271454904849,
"density_atomic": 0.04077269355277873,
"volume": 49.05243744593608,
"volume_molar": 14.770034146026099,
"formula_full": "Np1 As1",
"formula_reduced": "NpAs",
"formula_anonymous": "AB",
"energy_above_hull": 2.779595875,
"spacegroup": 225
},
{
"id": "jvasp-119549",
"created_at": "2022-09-04T14:38:35.386989Z",
"updated_at": "2022-09-04T14:38:35.387016Z",
"structure_string": "Li1 V1 Cr1 P4 O14\n1.0\n4.576259 -0.005905 -1.461799\n-0.104196 7.938473 -0.034037\n-0.052974 -0.009015 6.939679\nLi V Cr P O\n1 1 1 4 14\ndirect\n0.838735 0.369713 0.321587 Li\n0.221380 0.507757 0.730432 V\n0.785987 0.999245 0.272798 Cr\n0.402046 0.176759 0.515347 P\n0.204836 0.780934 0.090522 P\n0.779552 0.277403 0.908480 P\n0.606330 0.686465 0.482326 P\n0.837647 0.547972 0.515207 O\n0.730977 0.862422 0.488354 O\n0.616495 0.188586 0.391983 O\n0.394424 0.936506 0.093845 O\n0.390582 0.645365 0.257974 O\n0.588490 0.141698 0.749262 O\n0.258567 0.350387 0.514494 O\n0.424527 0.670969 0.628423 O\n0.880139 0.190796 0.112420 O\n0.181070 0.034508 0.458399 O\n0.130164 0.676789 0.894026 O\n0.037085 0.330703 0.835669 O\n0.590575 0.430396 0.921187 O\n0.924373 0.816601 0.140096 O\n",
"nsites": 21,
"nelements": 5,
"elements": [
"Li",
"V",
"Cr",
"P",
"O"
],
"chemical_system": "Cr-Li-O-P-V",
"density": 3.0225773278166055,
"density_atomic": 0.0835035229192669,
"volume": 251.48639561355125,
"volume_molar": 7.211840350523106,
"formula_full": "Li1 V1 Cr1 P4 O14",
"formula_reduced": "LiVCr(P2O7)2",
"formula_anonymous": "ABCD4E14",
"energy_above_hull": 3.2397215523809524,
"spacegroup": 1
},
{
"id": "jvasp-58532",
"created_at": "2022-09-04T14:38:35.389841Z",
"updated_at": "2022-09-04T14:38:35.389870Z",
"structure_string": "Ca2 Ti4 O8\n1.0\n3.039531 0.001562 0.001805\n1.515593 7.200919 0.072620\n1.514649 1.179974 7.584060\nCa Ti O\n2 4 8\ndirect\n0.348826 0.151685 0.143229 Ca\n0.637811 0.884600 0.832391 Ca\n0.631679 0.563961 0.165308 Ti\n0.133070 0.212769 0.513704 Ti\n0.853591 0.823501 0.461915 Ti\n0.354975 0.472314 0.810305 Ti\n0.852107 0.617601 0.670777 O\n0.458586 0.778061 0.297367 O\n0.528073 0.258215 0.678252 O\n0.134535 0.418675 0.304847 O\n0.163345 0.676115 0.989813 O\n0.762822 0.101982 0.364968 O\n0.823323 0.360157 0.985796 O\n0.223841 0.934287 0.610652 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ca",
"Ti",
"O"
],
"chemical_system": "Ca-O-Ti",
"density": 4.004708268360602,
"density_atomic": 0.08448964330140483,
"volume": 165.70078240308084,
"volume_molar": 7.127667397667742,
"formula_full": "Ca2 Ti4 O8",
"formula_reduced": "CaTi2O4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.3140972980952377,
"spacegroup": 12
},
{
"id": "jvasp-21671",
"created_at": "2022-09-04T14:38:35.391193Z",
"updated_at": "2022-09-04T14:38:35.391219Z",
"structure_string": "Tb8 Al8\n1.0\n5.620582 -0.000000 0.000000\n-0.000000 5.854183 0.000000\n0.000000 0.000000 11.471698\nTb Al\n8 8\ndirect\n0.250000 0.161365 0.014739 Tb\n0.750000 0.838635 0.985261 Tb\n0.750000 0.161365 0.485261 Tb\n0.250000 0.838635 0.514739 Tb\n0.250000 0.400406 0.331875 Tb\n0.750000 0.599593 0.668125 Tb\n0.750000 0.400406 0.168125 Tb\n0.250000 0.599593 0.831875 Tb\n0.000000 0.930841 0.250000 Al\n0.500000 0.069158 0.750000 Al\n0.000000 0.069158 0.750000 Al\n0.500000 0.930841 0.250000 Al\n0.250000 0.661003 0.098208 Al\n0.750000 0.338997 0.901792 Al\n0.750000 0.661003 0.401792 Al\n0.250000 0.338997 0.598208 Al\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Tb",
"Al"
],
"chemical_system": "Al-Tb",
"density": 6.542734225736532,
"density_atomic": 0.04238817267395357,
"volume": 377.46378271766326,
"volume_molar": 14.207125195798897,
"formula_full": "Tb8 Al8",
"formula_reduced": "TbAl",
"formula_anonymous": "AB",
"energy_above_hull": 0.8155756000000001,
"spacegroup": 57
},
{
"id": "jvasp-21542",
"created_at": "2022-09-04T14:38:35.397447Z",
"updated_at": "2022-09-04T14:38:35.397474Z",
"structure_string": "Nd8 Si12 Rh4\n1.0\n4.142351 -7.174763 -0.000000\n4.142351 7.174763 0.000000\n0.000000 -0.000000 8.422604\nNd Si Rh\n8 12 4\ndirect\n-0.000016 0.499992 0.750000 Nd\n0.499992 -0.000016 0.250000 Nd\n0.499992 0.500008 0.250000 Nd\n0.000016 0.500008 0.250000 Nd\n0.500008 0.000016 0.750000 Nd\n0.500008 0.499992 0.750000 Nd\n0.000000 0.000000 0.750000 Nd\n0.000000 0.000000 0.250000 Nd\n0.166933 0.833067 -0.000010 Si\n0.166933 0.833067 0.500010 Si\n0.666132 0.833067 0.500010 Si\n0.666132 0.833067 -0.000010 Si\n0.166933 0.333867 -0.000010 Si\n0.833067 0.666132 0.000010 Si\n0.166933 0.333867 0.500010 Si\n0.333867 0.166933 0.000010 Si\n0.333867 0.166933 0.499990 Si\n0.833067 0.666132 0.499990 Si\n0.833067 0.166933 0.499990 Si\n0.833067 0.166933 0.000010 Si\n0.333333 0.666667 0.500000 Rh\n0.666667 0.333333 0.000000 Rh\n0.333333 0.666667 -0.000000 Rh\n0.666667 0.333333 0.499999 Rh\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Nd",
"Si",
"Rh"
],
"chemical_system": "Nd-Rh-Si",
"density": 6.31047577775076,
"density_atomic": 0.047938054867676924,
"volume": 500.646095596641,
"volume_molar": 12.562338577614117,
"formula_full": "Nd8 Si12 Rh4",
"formula_reduced": "Nd2Si3Rh",
"formula_anonymous": "AB2C3",
"energy_above_hull": 2.7323569666666665,
"spacegroup": 191
},
{
"id": "jvasp-21728",
"created_at": "2022-09-04T14:38:35.400942Z",
"updated_at": "2022-09-04T14:38:35.400973Z",
"structure_string": "Er4 Co4 Sn4\n1.0\n4.554293 -0.000000 0.000000\n0.000000 7.123168 0.000000\n0.000000 0.000000 7.300140\nEr Co Sn\n4 4 4\ndirect\n0.250000 0.478576 0.702143 Er\n0.250000 0.978576 0.797857 Er\n0.750000 0.021424 0.202143 Er\n0.750000 0.521424 0.297857 Er\n0.750000 0.835418 0.561091 Co\n0.250000 0.164582 0.438909 Co\n0.750000 0.335418 0.938909 Co\n0.250000 0.664582 0.061091 Co\n0.750000 0.703076 0.894940 Sn\n0.250000 0.796924 0.394940 Sn\n0.250000 0.296924 0.105060 Sn\n0.750000 0.203076 0.605060 Sn\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Er",
"Co",
"Sn"
],
"chemical_system": "Co-Er-Sn",
"density": 9.673412403800373,
"density_atomic": 0.05067058313039791,
"volume": 236.82379910881764,
"volume_molar": 11.88488544626052,
"formula_full": "Er4 Co4 Sn4",
"formula_reduced": "ErCoSn",
"formula_anonymous": "ABC",
"energy_above_hull": 1.3295708666666668,
"spacegroup": 62
},
{
"id": "jvasp-26046",
"created_at": "2022-09-04T14:38:35.401543Z",
"updated_at": "2022-09-04T14:38:35.401560Z",
"structure_string": "Al6 B4 Ru8\n1.0\n8.557340 0.000000 0.000000\n-0.000000 8.557340 -0.000000\n-0.000000 0.000000 2.943564\nAl B Ru\n6 4 8\ndirect\n0.000000 0.000000 0.499999 Al\n0.500000 0.500000 0.499999 Al\n0.000000 0.346740 0.499999 Al\n0.346740 0.000000 0.499999 Al\n0.653260 0.000000 0.499999 Al\n0.000000 0.653260 0.499999 Al\n0.693437 0.693437 0.499999 B\n0.693437 0.306564 0.499999 B\n0.306564 0.306564 0.499999 B\n0.306564 0.693437 0.499999 B\n0.243489 0.500000 0.000000 Ru\n0.823611 0.823611 0.000000 Ru\n0.823611 0.176389 0.000000 Ru\n0.176389 0.823611 0.000000 Ru\n0.176389 0.176389 0.000000 Ru\n0.500000 0.756511 0.000000 Ru\n0.756511 0.500000 0.000000 Ru\n0.500000 0.243489 0.000000 Ru\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Al",
"B",
"Ru"
],
"chemical_system": "Al-B-Ru",
"density": 7.809164762721847,
"density_atomic": 0.08350672407085118,
"volume": 215.55150438817265,
"volume_molar": 7.2115638914185185,
"formula_full": "Al6 B4 Ru8",
"formula_reduced": "Al3(BRu2)2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 4.149023951851852,
"spacegroup": 123
},
{
"id": "jvasp-56642",
"created_at": "2022-09-04T14:38:35.402125Z",
"updated_at": "2022-09-04T14:38:35.402157Z",
"structure_string": "Rb2 V4 Cr2 O14\n1.0\n0.000000 6.908747 -0.012272\n4.872850 0.000000 0.000000\n0.000000 -1.657182 -8.251816\nRb V Cr O\n2 4 2 14\ndirect\n0.250000 0.392183 0.500000 Rb\n0.750000 0.607818 0.500000 Rb\n0.376128 0.003063 0.170147 V\n0.623873 0.996937 0.829854 V\n0.876128 0.996937 0.170147 V\n0.123873 0.003063 0.829854 V\n0.500000 0.500000 -0.000000 Cr\n0.000000 0.500000 0.000000 Cr\n0.120968 0.875821 0.649811 O\n0.879033 0.124179 0.350189 O\n0.612593 0.838994 0.111433 O\n0.379033 0.875821 0.350189 O\n0.518263 0.673281 0.797301 O\n0.981738 0.673281 0.202699 O\n0.887408 0.838994 0.888567 O\n0.112592 0.161006 0.111433 O\n0.620968 0.124179 0.649811 O\n0.750000 0.289735 -0.000000 O\n0.387408 0.161006 0.888567 O\n0.018262 0.326719 0.797302 O\n0.481738 0.326719 0.202699 O\n0.250000 0.710265 -0.000000 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Rb",
"V",
"Cr",
"O"
],
"chemical_system": "Cr-O-Rb-V",
"density": 4.198781384947522,
"density_atomic": 0.07916549221684667,
"volume": 277.89885951493306,
"volume_molar": 7.6070274956472375,
"formula_full": "Rb2 V4 Cr2 O14",
"formula_reduced": "RbV2CrO7",
"formula_anonymous": "ABC2D7",
"energy_above_hull": 3.0182900272727275,
"spacegroup": 13
},
{
"id": "jvasp-49233",
"created_at": "2022-09-04T14:38:35.409167Z",
"updated_at": "2022-09-04T14:38:35.409189Z",
"structure_string": "Na8 Se16\n1.0\n8.567923 0.062027 -3.898978\n-5.035470 7.787809 -1.615318\n0.040106 -0.062027 9.413274\nNa Se\n8 16\ndirect\n0.496175 0.875000 0.871174 Na\n0.003826 0.128825 0.625000 Na\n0.996174 0.621175 0.125000 Na\n0.503826 0.375000 0.378825 Na\n0.500000 0.943354 0.443353 Na\n0.500000 0.556647 0.056647 Na\n0.000000 0.806646 0.806646 Na\n0.000000 0.193353 0.193352 Na\n0.743677 0.723110 0.432981 Se\n0.756323 0.729434 0.939304 Se\n0.243677 0.182982 0.973109 Se\n0.709872 0.020567 0.276890 Se\n0.790128 0.060695 0.817018 Se\n0.209872 0.026890 0.270566 Se\n0.240169 0.018710 0.536600 Se\n0.482110 0.463400 0.703569 Se\n0.740169 0.286600 0.268709 Se\n0.517891 0.221460 0.981290 Se\n0.256323 0.689305 0.979433 Se\n0.017891 0.731290 0.471459 Se\n0.982110 0.453569 0.713399 Se\n0.259831 0.528540 0.546430 Se\n0.759831 0.296431 0.778540 Se\n0.290128 0.567018 0.310695 Se\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Na",
"Se"
],
"chemical_system": "Na-Se",
"density": 3.8136020360733243,
"density_atomic": 0.03808425884880892,
"volume": 630.1816216321247,
"volume_molar": 15.81267679097382,
"formula_full": "Na8 Se16",
"formula_reduced": "NaSe2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.6058016833333334,
"spacegroup": 122
}
]
}