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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=3868",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=3866",
"results": [
{
"id": "jvasp-112714",
"created_at": "2022-09-04T14:38:42.524901Z",
"updated_at": "2022-09-04T14:38:42.524933Z",
"structure_string": "Tb8 Mg4 Se16\n1.0\n4.019654 -0.000000 0.000000\n0.000000 13.181713 0.000000\n-0.000000 -0.000000 14.042948\nTb Mg Se\n8 4 16\ndirect\n0.250000 0.116275 0.075268 Tb\n0.749999 0.883725 0.924732 Tb\n0.749999 0.383725 0.575268 Tb\n0.250000 0.616275 0.424732 Tb\n0.250000 0.140755 0.703068 Tb\n0.749999 0.859245 0.296932 Tb\n0.749999 0.359245 0.203068 Tb\n0.250000 0.640754 0.796932 Tb\n0.749999 0.610791 0.044801 Mg\n0.250000 0.389208 0.955200 Mg\n0.250000 0.889208 0.544801 Mg\n0.749999 0.110792 0.455199 Mg\n0.250000 0.739309 0.987132 Se\n0.749999 0.260691 0.012868 Se\n0.250000 0.722585 0.249168 Se\n0.749999 0.277415 0.750832 Se\n0.749999 0.777415 0.749168 Se\n0.250000 0.222585 0.250832 Se\n0.250000 0.529915 0.618364 Se\n0.250000 0.993018 0.382412 Se\n0.749999 0.970085 0.118364 Se\n0.250000 0.029915 0.881636 Se\n0.749999 0.506982 0.882413 Se\n0.250000 0.493018 0.117588 Se\n0.250000 0.239309 0.512868 Se\n0.749999 0.006982 0.617588 Se\n0.749999 0.470085 0.381636 Se\n0.749999 0.760691 0.487132 Se\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Tb",
"Mg",
"Se"
],
"chemical_system": "Mg-Se-Tb",
"density": 5.873721259698155,
"density_atomic": 0.03763043338458218,
"volume": 744.0785949457619,
"volume_molar": 16.00337869738001,
"formula_full": "Tb8 Mg4 Se16",
"formula_reduced": "Tb2MgSe4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.986878473809524,
"spacegroup": 62
},
{
"id": "jvasp-119219",
"created_at": "2022-09-04T14:38:52.306786Z",
"updated_at": "2022-09-04T14:38:52.306804Z",
"structure_string": "Tm4 Mg2 Se8\n1.0\n6.999232 0.012446 -2.609468\n-3.371316 6.133811 -2.609468\n-0.007346 -0.012446 7.469841\nTm Mg Se\n4 2 8\ndirect\n0.874999 0.756514 0.381513 Tm\n0.506513 0.125000 0.881513 Tm\n0.374999 0.493486 0.618486 Tm\n0.243486 0.625000 0.118486 Tm\n0.000000 0.000000 0.000000 Mg\n0.749999 0.250000 0.500000 Mg\n0.512797 0.380197 0.261577 Se\n0.748779 0.487203 0.867398 Se\n0.118618 0.251219 0.738422 Se\n0.619803 0.881381 0.132600 Se\n0.237203 -0.001220 0.367399 Se\n0.001219 0.368619 0.238422 Se\n0.631380 0.869803 0.632600 Se\n0.130195 0.762797 0.761576 Se\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Tm",
"Mg",
"Se"
],
"chemical_system": "Mg-Se-Tm",
"density": 7.024507095309782,
"density_atomic": 0.04367435582401182,
"volume": 320.55424140458433,
"volume_molar": 13.788734021095905,
"formula_full": "Tm4 Mg2 Se8",
"formula_reduced": "Tm2MgSe4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.9670330023809524,
"spacegroup": 122
},
{
"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
},
{
"id": "jvasp-11406",
"created_at": "2022-09-04T14:37:32.611249Z",
"updated_at": "2022-09-04T14:37:32.611267Z",
"structure_string": "Y4 Mg2 Se8\n1.0\n7.119376 -0.000000 4.110374\n2.373125 6.712213 4.110374\n-0.000000 -0.000000 8.220748\nY Mg Se\n4 2 8\ndirect\n0.500001 0.500000 0.499999 Y\n0.500000 0.000000 0.500000 Y\n0.000000 0.500000 0.500000 Y\n0.500001 0.500000 -0.000001 Y\n0.875001 0.875000 0.874999 Mg\n0.125000 0.125000 0.125000 Mg\n0.254209 0.254208 0.737374 Se\n0.745793 0.745791 0.745791 Se\n0.745793 0.745791 0.262625 Se\n0.254209 0.737374 0.254208 Se\n0.254209 0.254208 0.254208 Se\n0.262627 0.745791 0.745791 Se\n0.745792 0.262626 0.745791 Se\n0.737374 0.254208 0.254208 Se\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Y",
"Mg",
"Se"
],
"chemical_system": "Mg-Se-Y",
"density": 4.378784308221622,
"density_atomic": 0.03563764853245809,
"volume": 392.84297860587145,
"volume_molar": 16.89825509815876,
"formula_full": "Y4 Mg2 Se8",
"formula_reduced": "Y2MgSe4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.4585933452380953,
"spacegroup": 227
},
{
"id": "jvasp-102812",
"created_at": "2022-09-04T14:37:14.714449Z",
"updated_at": "2022-09-04T14:37:14.714469Z",
"structure_string": "Y2 Mg2 Se6\n1.0\n6.913099 0.059370 2.091139\n-3.226581 6.114216 2.091139\n0.041449 0.069412 6.482840\nY Mg Se\n2 2 6\ndirect\n0.772381 0.772381 0.206369 Y\n0.227620 0.227620 0.793631 Y\n0.329781 0.670220 -0.000000 Mg\n0.670220 0.329781 0.000000 Mg\n0.188994 0.879157 0.222574 Se\n0.811007 0.120844 0.777426 Se\n0.120844 0.811007 0.777426 Se\n0.879156 0.188993 0.222574 Se\n0.593711 0.593711 0.701190 Se\n0.406289 0.406289 0.298810 Se\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Y",
"Mg",
"Se"
],
"chemical_system": "Mg-Se-Y",
"density": 4.254796641791996,
"density_atomic": 0.036594764317464244,
"volume": 273.2631343994656,
"volume_molar": 16.4562905987238,
"formula_full": "Y2 Mg2 Se6",
"formula_reduced": "YMgSe3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.07601892,
"spacegroup": 12
},
{
"id": "jvasp-35355",
"created_at": "2022-09-04T14:37:36.371833Z",
"updated_at": "2022-09-04T14:37:36.371850Z",
"structure_string": "Mg2 Si4\n1.0\n-3.917375 -0.000000 0.000000\n-1.958688 -3.269251 4.090656\n-1.958688 3.269251 4.090656\nMg Si\n2 4\ndirect\n0.416848 0.333153 0.833152 Mg\n0.583151 0.666848 0.166848 Mg\n0.853309 0.088410 0.204972 Si\n0.146690 0.911591 0.795029 Si\n0.853309 0.704973 0.588410 Si\n0.146690 0.295028 0.411591 Si\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.5508158525700613,
"density_atomic": 0.05726442214694399,
"volume": 104.7770985028651,
"volume_molar": 10.516373926810648,
"formula_full": "Mg2 Si4",
"formula_reduced": "MgSi2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.8117353238095235,
"spacegroup": 74
},
{
"id": "jvasp-112388",
"created_at": "2022-09-04T14:38:39.661694Z",
"updated_at": "2022-09-04T14:38:39.661719Z",
"structure_string": "Mg8 Si6\n1.0\n5.627553 0.136823 -1.475139\n-0.833267 7.688746 -4.060503\n0.013172 0.269036 6.373993\nMg Si\n8 6\ndirect\n0.295792 0.734703 0.573669 Mg\n0.116914 0.167337 0.874179 Mg\n0.304963 0.690296 0.044010 Mg\n0.353155 0.396873 0.566521 Mg\n0.840751 0.530231 0.546279 Mg\n0.621034 0.110064 -0.000157 Mg\n0.808431 0.487479 0.039315 Mg\n0.787503 0.850970 0.421995 Mg\n-0.030676 0.187484 0.416283 Si\n0.680785 0.187398 0.629423 Si\n0.703433 0.757590 0.927595 Si\n0.407029 0.440875 0.183684 Si\n0.311485 0.004063 0.469128 Si\n0.049354 0.954550 0.058144 Si\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.128603123254994,
"density_atomic": 0.04944509809475585,
"volume": 283.1423243042335,
"volume_molar": 12.179449514811878,
"formula_full": "Mg8 Si6",
"formula_reduced": "Mg4Si3",
"formula_anonymous": "A3B4",
"energy_above_hull": 1.2467558408163262,
"spacegroup": 1
},
{
"id": "jvasp-97624",
"created_at": "2022-09-04T14:35:48.758808Z",
"updated_at": "2022-09-04T14:35:48.758827Z",
"structure_string": "Mg18 Si10\n1.0\n7.146364 0.000000 -0.000000\n-3.573182 6.188933 -0.000000\n0.000000 0.000000 12.284887\nMg Si\n18 10\ndirect\n0.321800 0.916849 0.583549 Mg\n0.275236 0.928535 0.250000 Mg\n0.724764 0.071465 0.750000 Mg\n0.928535 0.653299 0.750000 Mg\n0.653299 0.724764 0.250000 Mg\n0.595049 0.678200 0.916452 Mg\n0.916849 0.595049 0.416452 Mg\n0.678200 0.083151 0.416452 Mg\n0.321800 0.916849 0.916452 Mg\n0.083151 0.404950 0.916452 Mg\n0.404950 0.321800 0.416452 Mg\n0.404950 0.321800 0.083548 Mg\n0.083151 0.404950 0.583549 Mg\n0.346700 0.275236 0.750000 Mg\n0.678200 0.083151 0.083548 Mg\n0.916849 0.595049 0.083548 Mg\n0.595049 0.678200 0.583549 Mg\n0.071465 0.346700 0.250000 Mg\n0.333333 0.666667 0.412771 Si\n0.666667 0.333333 0.912772 Si\n0.666667 0.333333 0.587229 Si\n0.333333 0.666667 0.087229 Si\n0.333333 0.666667 0.750000 Si\n0.666667 0.333333 0.250000 Si\n0.000000 0.000000 0.102145 Si\n0.000000 0.000000 0.602145 Si\n0.000000 0.000000 0.897856 Si\n0.000000 0.000000 0.397856 Si\n",
"nsites": 28,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.1953819553805105,
"density_atomic": 0.051533062321219104,
"volume": 543.3405029468005,
"volume_molar": 11.685974961981527,
"formula_full": "Mg18 Si10",
"formula_reduced": "Mg9Si5",
"formula_anonymous": "A5B9",
"energy_above_hull": 0.9932065673469388,
"spacegroup": 176
},
{
"id": "jvasp-56565",
"created_at": "2022-09-04T14:38:13.472735Z",
"updated_at": "2022-09-04T14:38:13.472750Z",
"structure_string": "Mg4 Si2\n1.0\n4.861398 0.000000 2.806729\n1.620467 4.583370 2.806729\n0.000000 0.000000 5.613457\nMg Si\n4 2\ndirect\n0.500000 -0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500001 0.500000 0.500000 Mg\n0.500001 0.500000 -0.000000 Mg\n0.875001 0.875000 0.875000 Si\n0.125000 0.125000 0.125000 Si\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.0364440386990297,
"density_atomic": 0.04797055624572446,
"volume": 125.07672350651073,
"volume_molar": 12.55382724593014,
"formula_full": "Mg4 Si2",
"formula_reduced": "Mg2Si",
"formula_anonymous": "AB2",
"energy_above_hull": 0.8627620476190475,
"spacegroup": 227
},
{
"id": "jvasp-111603",
"created_at": "2022-09-04T14:38:37.094854Z",
"updated_at": "2022-09-04T14:38:37.094876Z",
"structure_string": "Mg8 Si4\n1.0\n4.204488 -0.000000 0.000000\n-0.000000 7.053916 0.000000\n0.000000 0.000000 8.040913\nMg Si\n8 4\ndirect\n0.250000 0.032577 0.836075 Mg\n0.250000 0.532578 0.663925 Mg\n0.750000 0.967423 0.163925 Mg\n0.750000 0.467423 0.336075 Mg\n0.250000 0.139019 0.439146 Mg\n0.250000 0.639019 0.060854 Mg\n0.750000 0.860981 0.560853 Mg\n0.750000 0.360981 0.939146 Mg\n0.250000 0.253301 0.125792 Si\n0.250000 0.753301 0.374208 Si\n0.750000 0.746700 0.874208 Si\n0.750000 0.246700 0.625791 Si\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.136142436076543,
"density_atomic": 0.05031905563393349,
"volume": 238.47824345708906,
"volume_molar": 11.967912919134495,
"formula_full": "Mg8 Si4",
"formula_reduced": "Mg2Si",
"formula_anonymous": "AB2",
"energy_above_hull": 0.6879487142857141,
"spacegroup": 62
},
{
"id": "jvasp-98811",
"created_at": "2022-09-04T14:35:51.481309Z",
"updated_at": "2022-09-04T14:35:51.481326Z",
"structure_string": "Mg10 Si12\n1.0\n14.240157 0.000000 -5.311450\n0.000000 4.070807 0.000000\n-0.001853 0.000000 6.938149\nMg Si\n10 12\ndirect\n0.000000 0.000000 -0.000001 Mg\n0.500000 0.500000 0.000001 Mg\n0.344807 0.000000 0.064611 Mg\n0.655194 0.000000 0.935391 Mg\n0.844806 0.500000 0.064609 Mg\n0.155194 0.500000 0.935389 Mg\n0.424465 0.000000 0.631857 Mg\n0.575536 0.000000 0.368146 Mg\n0.924465 0.500000 0.631855 Mg\n0.075535 0.500000 0.368143 Mg\n0.792436 0.000000 0.368527 Si\n0.207565 0.000000 0.631472 Si\n0.308207 0.500000 0.742675 Si\n0.691794 0.500000 0.257326 Si\n0.808207 0.000000 0.742675 Si\n0.057773 0.000000 0.671225 Si\n0.442227 0.500000 0.328775 Si\n0.557773 0.500000 0.671227 Si\n0.942227 0.000000 0.328774 Si\n0.707565 0.500000 0.631474 Si\n0.191794 0.000000 0.257325 Si\n0.292436 0.500000 0.368528 Si\n",
"nsites": 22,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.395181052056545,
"density_atomic": 0.05470500138178264,
"volume": 402.1570138800186,
"volume_molar": 11.008391569121573,
"formula_full": "Mg10 Si12",
"formula_reduced": "Mg5Si6",
"formula_anonymous": "A5B6",
"energy_above_hull": 1.814884132467532,
"spacegroup": 12
},
{
"id": "jvasp-79660",
"created_at": "2022-09-04T14:37:14.289158Z",
"updated_at": "2022-09-04T14:37:14.289167Z",
"structure_string": "Mg2 Si2\n1.0\n3.947321 0.000000 -0.000000\n0.000000 4.241953 -0.000000\n0.000000 -0.000000 4.241953\nMg Si\n2 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Si\n0.500000 0.500000 0.000000 Si\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.4496130481215372,
"density_atomic": 0.056315227334797324,
"volume": 71.0287463854095,
"volume_molar": 10.693627718481933,
"formula_full": "Mg2 Si2",
"formula_reduced": "MgSi",
"formula_anonymous": "AB",
"energy_above_hull": 1.0483286857142853,
"spacegroup": 123
}
]
}