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_full&page=464",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_full&page=462",
"results": [
{
"id": "jvasp-122090",
"created_at": "2022-09-04T14:38:53.236586Z",
"updated_at": "2022-09-04T14:38:53.236622Z",
"structure_string": "Tm4 Ni4 As4\n1.0\n4.040324 0.000000 0.000000\n-2.020162 3.499024 0.000000\n0.000000 0.000000 14.965028\nTm Ni As\n4 4 4\ndirect\n0.000000 0.000000 0.250000 Tm\n0.000000 0.000000 0.750000 Tm\n0.000000 0.000000 0.000000 Tm\n0.000000 0.000000 0.500000 Tm\n0.333333 0.666666 0.136729 Ni\n0.666666 0.333333 0.863272 Ni\n0.666666 0.333333 0.636729 Ni\n0.333333 0.666666 0.363271 Ni\n0.333333 0.666666 0.619184 As\n0.666666 0.333333 0.380816 As\n0.666666 0.333333 0.119184 As\n0.333333 0.666666 0.880816 As\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Tm",
"Ni",
"As"
],
"chemical_system": "As-Ni-Tm",
"density": 9.49870639167154,
"density_atomic": 0.05672057145512859,
"volume": 211.56345382544586,
"volume_molar": 10.617207488404963,
"formula_full": "Tm4 Ni4 As4",
"formula_reduced": "TmNiAs",
"formula_anonymous": "ABC",
"energy_above_hull": null,
"spacegroup": 194
},
{
"id": "jvasp-16594",
"created_at": "2022-09-04T14:38:15.457348Z",
"updated_at": "2022-09-04T14:38:15.457368Z",
"structure_string": "Tm4 Ni4\n1.0\n4.147290 -0.000000 0.000000\n-0.000000 5.310729 0.000000\n0.000000 0.000000 6.844311\nTm Ni\n4 4\ndirect\n0.250000 0.135317 0.180655 Tm\n0.750000 0.864683 0.819345 Tm\n0.750000 0.635317 0.319345 Tm\n0.250000 0.364683 0.680655 Tm\n0.250000 0.633753 0.038377 Ni\n0.750000 0.366247 0.961623 Ni\n0.750000 0.133753 0.461623 Ni\n0.250000 0.866247 0.538377 Ni\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Tm",
"Ni"
],
"chemical_system": "Ni-Tm",
"density": 10.029649285194655,
"density_atomic": 0.05306909806745195,
"volume": 150.7468619465104,
"volume_molar": 11.347735272127164,
"formula_full": "Tm4 Ni4",
"formula_reduced": "TmNi",
"formula_anonymous": "AB",
"energy_above_hull": 0.505728325,
"spacegroup": 62
},
{
"id": "jvasp-97585",
"created_at": "2022-09-04T14:35:58.459794Z",
"updated_at": "2022-09-04T14:35:58.459825Z",
"structure_string": "Tm4 Ni34\n1.0\n8.212304 -0.000000 -0.000000\n-4.106152 7.112064 -0.000000\n0.000000 -0.000000 7.964674\nTm Ni\n4 34\ndirect\n0.666666 0.333333 0.250000 Tm\n0.000000 0.000000 0.250000 Tm\n0.333333 0.666666 0.750000 Tm\n0.000000 0.000000 0.750000 Tm\n0.164965 0.835035 0.522523 Ni\n0.164965 0.329929 0.522523 Ni\n0.670070 0.835035 0.522523 Ni\n0.329929 0.164965 0.022524 Ni\n0.835035 0.670070 0.477476 Ni\n0.835035 0.164965 0.022524 Ni\n0.041638 0.672603 0.250000 Ni\n0.164965 0.835035 0.977476 Ni\n0.670070 0.835035 0.977476 Ni\n0.329929 0.164965 0.477476 Ni\n0.835035 0.164965 0.477476 Ni\n0.164965 0.329929 0.977476 Ni\n0.327397 0.369035 0.250000 Ni\n0.630965 0.958362 0.250000 Ni\n0.835035 0.670070 0.022524 Ni\n0.333333 0.666666 0.100753 Ni\n0.672603 0.630965 0.750000 Ni\n0.666666 0.333333 0.600753 Ni\n0.666666 0.333333 0.899246 Ni\n0.333333 0.666666 0.399246 Ni\n0.500000 0.000000 0.000000 Ni\n0.500000 0.500000 0.500000 Ni\n-0.000000 0.500000 0.500000 Ni\n-0.000000 0.500000 0.000000 Ni\n0.500000 0.500000 0.000000 Ni\n0.500000 0.000000 0.500000 Ni\n0.327397 0.958362 0.250000 Ni\n0.369035 0.327397 0.750000 Ni\n0.958362 0.630965 0.750000 Ni\n0.041638 0.369035 0.250000 Ni\n0.630965 0.672603 0.250000 Ni\n0.369035 0.041638 0.750000 Ni\n0.672603 0.041638 0.750000 Ni\n0.958362 0.327397 0.750000 Ni\n",
"nsites": 38,
"nelements": 2,
"elements": [
"Tm",
"Ni"
],
"chemical_system": "Ni-Tm",
"density": 9.53553590805269,
"density_atomic": 0.08168737088075513,
"volume": 465.18818747969385,
"volume_molar": 7.372180907610489,
"formula_full": "Tm4 Ni34",
"formula_reduced": "Tm2Ni17",
"formula_anonymous": "A2B17",
"energy_above_hull": 1.3361252263157894,
"spacegroup": 194
},
{
"id": "jvasp-111723",
"created_at": "2022-09-04T14:38:38.095169Z",
"updated_at": "2022-09-04T14:38:38.095195Z",
"structure_string": "Tm4 Ni2 C5\n1.0\n3.550739 0.000000 0.000000\n0.000000 3.663469 0.000000\n0.000000 0.000000 11.458476\nTm Ni C\n4 2 5\ndirect\n0.500000 0.505998 0.202808 Tm\n0.500000 0.505998 0.797193 Tm\n0.500000 0.207291 0.500000 Tm\n0.000000 0.001882 0.000000 Tm\n0.000000 0.694919 0.385202 Ni\n0.000000 0.694919 0.614798 Ni\n0.000000 0.002723 0.227169 C\n0.000000 0.002723 0.772832 C\n0.000000 0.194465 0.331517 C\n0.000000 0.194465 0.668484 C\n0.500000 0.496116 0.000000 C\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Tm",
"Ni",
"C"
],
"chemical_system": "C-Ni-Tm",
"density": 9.504957454770857,
"density_atomic": 0.07379969287883716,
"volume": 149.05211080023838,
"volume_molar": 8.160116289219562,
"formula_full": "Tm4 Ni2 C5",
"formula_reduced": "Tm4Ni2C5",
"formula_anonymous": "A2B4C5",
"energy_above_hull": 4.093764709090909,
"spacegroup": 25
},
{
"id": "jvasp-21705",
"created_at": "2022-09-04T14:38:36.722916Z",
"updated_at": "2022-09-04T14:38:36.722947Z",
"structure_string": "Tm4 Ni2 As4\n1.0\n2.033414 -3.521976 -0.000000\n2.033414 3.521976 -0.000000\n-0.000000 -0.000000 13.925114\nTm Ni As\n4 2 4\ndirect\n0.333332 0.666666 0.882872 Tm\n0.666666 0.333332 0.382872 Tm\n0.666666 0.333332 0.117128 Tm\n0.333332 0.666666 0.617128 Tm\n0.000000 0.000000 0.750000 Ni\n0.000000 0.000000 0.250000 Ni\n0.000000 0.000000 0.000000 As\n0.333332 0.666666 0.250000 As\n0.666666 0.333332 0.750000 As\n0.000000 0.000000 0.500000 As\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Tm",
"Ni",
"As"
],
"chemical_system": "As-Ni-Tm",
"density": 9.098144231304097,
"density_atomic": 0.050137080763487156,
"volume": 199.4531761267322,
"volume_molar": 12.011351016642527,
"formula_full": "Tm4 Ni2 As4",
"formula_reduced": "Tm2NiAs2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.5340208799999997,
"spacegroup": 194
},
{
"id": "jvasp-56045",
"created_at": "2022-09-04T14:37:14.396156Z",
"updated_at": "2022-09-04T14:37:14.396190Z",
"structure_string": "Tm4 Ni2 As4\n1.0\n2.035054 -3.524818 -0.000000\n2.035054 3.524818 0.000000\n-0.000000 -0.000000 13.907065\nTm Ni As\n4 2 4\ndirect\n0.333332 0.666666 0.880297 Tm\n0.666666 0.333332 0.380297 Tm\n0.666666 0.333332 0.114663 Tm\n0.333332 0.666666 0.614663 Tm\n0.000000 0.000000 0.740828 Ni\n0.000000 0.000000 0.240828 Ni\n0.000000 0.000000 0.497930 As\n0.000000 0.000000 -0.002071 As\n0.666666 0.333332 0.749953 As\n0.333332 0.666666 0.249952 As\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Tm",
"Ni",
"As"
],
"chemical_system": "As-Ni-Tm",
"density": 9.095271307307138,
"density_atomic": 0.05012124896100074,
"volume": 199.51617741571013,
"volume_molar": 12.015145042945393,
"formula_full": "Tm4 Ni2 As4",
"formula_reduced": "Tm2NiAs2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.5340088799999998,
"spacegroup": 186
},
{
"id": "jvasp-46381",
"created_at": "2022-09-04T14:38:09.049859Z",
"updated_at": "2022-09-04T14:38:09.049885Z",
"structure_string": "Tm4 Mn4 O14\n1.0\n-0.000000 4.930425 4.930425\n4.930425 0.000000 4.930425\n4.930425 4.930425 0.000000\nTm Mn O\n4 4 14\ndirect\n0.500000 0.000000 0.500000 Tm\n0.500000 0.500000 0.000000 Tm\n0.000000 0.500000 0.500000 Tm\n0.500000 0.500000 0.500000 Tm\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.919560 0.330441 0.919560 O\n0.625001 0.625001 0.625001 O\n0.330441 0.330441 0.919560 O\n0.919560 0.919560 0.330441 O\n0.330441 0.919560 0.330441 O\n0.080441 0.669560 0.080441 O\n0.080441 0.080441 0.669560 O\n0.375000 0.375000 0.375000 O\n0.669560 0.669560 0.080441 O\n0.080441 0.669560 0.669560 O\n0.919560 0.330441 0.330441 O\n0.669560 0.080441 0.080441 O\n0.669560 0.080441 0.669560 O\n0.330441 0.919560 0.919560 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Tm",
"Mn",
"O"
],
"chemical_system": "Mn-O-Tm",
"density": 7.755014441855485,
"density_atomic": 0.09177821664998233,
"volume": 239.70829683804098,
"volume_molar": 6.561623204084298,
"formula_full": "Tm4 Mn4 O14",
"formula_reduced": "Tm2Mn2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 2.824146134796238,
"spacegroup": 227
},
{
"id": "jvasp-12291",
"created_at": "2022-09-04T14:38:00.845647Z",
"updated_at": "2022-09-04T14:38:00.845662Z",
"structure_string": "Tm4 Mn4 Ge4\n1.0\n4.028957 0.000000 0.000000\n0.000000 6.930400 0.000000\n0.000000 0.000000 7.839688\nTm Mn Ge\n4 4 4\ndirect\n0.250000 0.526030 0.183032 Tm\n0.750001 0.473970 0.816968 Tm\n0.250000 0.026030 0.316968 Tm\n0.750001 0.973970 0.683032 Tm\n0.750001 0.367061 0.443637 Mn\n0.250000 0.132939 0.943637 Mn\n0.750001 0.867061 0.056363 Mn\n0.250000 0.632939 0.556363 Mn\n0.250000 0.271467 0.618955 Ge\n0.750001 0.228533 0.118955 Ge\n0.250000 0.771467 0.881045 Ge\n0.750001 0.728533 0.381045 Ge\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Tm",
"Mn",
"Ge"
],
"chemical_system": "Ge-Mn-Tm",
"density": 8.997089145154442,
"density_atomic": 0.05481905354749554,
"volume": 218.90199161507104,
"volume_molar": 10.985488384585814,
"formula_full": "Tm4 Mn4 Ge4",
"formula_reduced": "TmMnGe",
"formula_anonymous": "ABC",
"energy_above_hull": 1.7325724804597695,
"spacegroup": 62
},
{
"id": "jvasp-53410",
"created_at": "2022-09-04T14:38:33.091356Z",
"updated_at": "2022-09-04T14:38:33.091373Z",
"structure_string": "Tm4 Mn2 S8\n1.0\n7.140443 -0.359100 -2.304625\n-3.881212 6.004256 -2.304625\n0.207326 0.359100 7.500284\nTm Mn S\n4 2 8\ndirect\n0.018367 0.750000 0.768367 Tm\n0.250000 0.518367 0.268367 Tm\n0.481634 0.250000 0.731633 Tm\n0.750000 0.981634 0.231634 Tm\n0.625000 0.375000 0.250000 Mn\n0.875000 0.125000 0.749999 Mn\n0.036351 0.991596 0.552007 S\n0.984344 0.439590 0.447993 S\n0.463650 0.015656 0.955245 S\n0.008404 0.060410 0.044755 S\n0.491596 0.536351 0.052006 S\n0.560411 0.508404 0.544754 S\n0.515656 0.963650 0.455246 S\n0.939590 0.484345 0.947993 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Tm",
"Mn",
"S"
],
"chemical_system": "Mn-S-Tm",
"density": 5.3531436055080555,
"density_atomic": 0.043307659452624304,
"volume": 323.2684512843523,
"volume_molar": 13.905486549296945,
"formula_full": "Tm4 Mn2 S8",
"formula_reduced": "Tm2MnS4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.120130820197044,
"spacegroup": 122
},
{
"id": "jvasp-112567",
"created_at": "2022-09-04T14:38:42.243302Z",
"updated_at": "2022-09-04T14:38:42.243320Z",
"structure_string": "Tm4 Mn2 C8\n1.0\n6.126046 0.003168 -2.142701\n-1.349973 4.389895 -4.585413\n-0.002005 -0.003168 6.489962\nTm Mn C\n4 2 8\ndirect\n0.508231 0.354269 0.153962 Tm\n0.491769 0.645730 0.846037 Tm\n0.200306 0.854268 0.346037 Tm\n0.799694 0.145731 0.653962 Tm\n-0.000000 0.250000 0.250000 Mn\n-0.000000 0.749999 0.749999 Mn\n0.251802 0.079636 0.172164 C\n0.748199 0.920363 0.827836 C\n0.907473 0.579636 0.327836 C\n0.092527 0.420363 0.672163 C\n0.473639 0.129941 0.343699 C\n0.526361 0.870058 0.656301 C\n0.786243 0.629941 0.156302 C\n0.213757 0.370058 0.843698 C\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Tm",
"Mn",
"C"
],
"chemical_system": "C-Mn-Tm",
"density": 8.392952432022486,
"density_atomic": 0.0802552742569807,
"volume": 174.44336374917145,
"volume_molar": 7.503732079609941,
"formula_full": "Tm4 Mn2 C8",
"formula_reduced": "Tm2MnC4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 5.006702248768473,
"spacegroup": 72
},
{
"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-11405",
"created_at": "2022-09-04T14:38:14.285198Z",
"updated_at": "2022-09-04T14:38:14.285228Z",
"structure_string": "Tm4 Mg2 Se8\n1.0\n7.046867 0.000000 4.068510\n2.348956 6.643850 4.068510\n-0.000000 -0.000000 8.137021\nTm Mg Se\n4 2 8\ndirect\n0.500001 0.500000 0.500000 Tm\n0.500000 0.000000 0.500000 Tm\n0.000000 0.500000 0.500000 Tm\n0.500001 0.500000 -0.000000 Tm\n0.875001 0.875000 0.874999 Mg\n0.125000 0.125000 0.125000 Mg\n0.255071 0.255071 0.734787 Se\n0.744930 0.744929 0.744928 Se\n0.744930 0.744929 0.265212 Se\n0.255072 0.734788 0.255071 Se\n0.255071 0.255071 0.255071 Se\n0.265213 0.744929 0.744928 Se\n0.744929 0.265212 0.744928 Se\n0.734788 0.255071 0.255071 Se\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Tm",
"Mg",
"Se"
],
"chemical_system": "Mg-Se-Tm",
"density": 5.910661016251853,
"density_atomic": 0.03674909981246372,
"volume": 380.9617125710328,
"volume_molar": 16.387178980524435,
"formula_full": "Tm4 Mg2 Se8",
"formula_reduced": "Tm2MgSe4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.9545815738095238,
"spacegroup": 227
}
]
}