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{
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"results": [
{
"id": "jvasp-22210",
"created_at": "2022-09-04T14:37:35.423554Z",
"updated_at": "2022-09-04T14:37:35.423582Z",
"structure_string": "Lu4 Co6 Si10\n1.0\n5.159105 -0.002075 -1.773861\n-2.855305 7.229488 -0.490442\n-0.011700 0.014164 7.788354\nLu Co Si\n4 6 10\ndirect\n0.233656 0.870327 0.594401 Lu\n0.766343 0.129672 0.405599 Lu\n0.733657 0.594400 0.870327 Lu\n0.266343 0.405599 0.129673 Lu\n0.873990 0.539167 0.260395 Co\n0.250000 0.003626 0.996373 Co\n0.373990 0.260394 0.539167 Co\n0.126011 0.460832 0.739605 Co\n0.626010 0.739605 0.460832 Co\n0.750000 0.996373 0.003627 Co\n0.250000 0.771566 0.228434 Si\n0.667950 0.262975 0.067851 Si\n0.167949 0.067850 0.262976 Si\n0.750000 0.786506 0.213494 Si\n0.250000 0.213494 0.786506 Si\n0.750000 0.488732 0.511267 Si\n0.250000 0.511267 0.488733 Si\n0.750000 0.228433 0.771566 Si\n0.832050 0.932149 0.737024 Si\n0.332050 0.737024 0.932149 Si\n",
"nsites": 20,
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"elements": [
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"volume": 290.3989748183155,
"volume_molar": 8.744117514577956,
"formula_full": "Lu4 Co6 Si10",
"formula_reduced": "Lu2Co3Si5",
"formula_anonymous": "A2B3C5",
"energy_above_hull": 3.30759672,
"spacegroup": 15
},
{
"id": "jvasp-22277",
"created_at": "2022-09-04T14:37:53.148802Z",
"updated_at": "2022-09-04T14:37:53.148820Z",
"structure_string": "Tb4 Si10 Ru6\n1.0\n5.316168 -0.000000 1.924769\n2.061620 7.568599 2.609804\n0.013346 -0.009530 8.267090\nTb Si Ru\n4 10 6\ndirect\n0.635486 0.096789 0.632240 Tb\n0.864515 0.367760 0.903211 Tb\n0.135486 0.632240 0.096788 Tb\n0.364515 0.903211 0.367760 Tb\n0.095461 0.236157 0.572923 Si\n0.904540 0.763843 0.427077 Si\n0.250000 0.000000 0.000000 Si\n0.458751 0.291249 0.291249 Si\n0.041249 0.708751 0.708751 Si\n0.541250 0.708751 0.708751 Si\n0.958752 0.291249 0.291249 Si\n0.750000 0.000000 0.000000 Si\n0.404540 0.427077 0.763843 Si\n0.595461 0.572923 0.236157 Si\n0.854277 0.052039 0.239408 Ru\n0.750001 0.500000 0.500000 Ru\n0.354276 0.239409 0.052039 Ru\n0.645725 0.760592 0.947960 Ru\n0.145725 0.947961 0.760591 Ru\n0.250000 0.500000 0.500000 Ru\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Tb",
"Si",
"Ru"
],
"chemical_system": "Ru-Si-Tb",
"density": 7.6051190573482526,
"density_atomic": 0.06014419852564607,
"volume": 332.5341510947528,
"volume_molar": 10.012837326998548,
"formula_full": "Tb4 Si10 Ru6",
"formula_reduced": "Tb2Si5Ru3",
"formula_anonymous": "A2B3C5",
"energy_above_hull": 3.75922113,
"spacegroup": 72
},
{
"id": "jvasp-98994",
"created_at": "2022-09-04T14:36:03.946821Z",
"updated_at": "2022-09-04T14:36:03.946849Z",
"structure_string": "Nd4 Ge10 Rh6\n1.0\n5.729594 -0.041971 -2.126137\n-3.305182 7.790616 -0.275753\n-0.117865 0.056494 8.466221\nNd Ge Rh\n4 10 6\ndirect\n0.731625 0.598289 0.864868 Nd\n0.268375 0.401711 0.135132 Nd\n0.231626 0.864868 0.598289 Nd\n0.768375 0.135132 0.401711 Nd\n0.250000 0.223532 0.776468 Ge\n0.750000 0.776468 0.223532 Ge\n0.250000 0.499965 0.500036 Ge\n0.660184 0.258985 0.061560 Ge\n0.839817 0.938440 0.741015 Ge\n0.339817 0.741015 0.938440 Ge\n0.160184 0.061560 0.258985 Ge\n0.750000 0.500036 0.499965 Ge\n0.250001 0.776517 0.223483 Ge\n0.750000 0.223483 0.776517 Ge\n0.750000 0.000052 0.999947 Rh\n0.106563 0.466117 0.747135 Rh\n0.606563 0.747135 0.466117 Rh\n0.893437 0.533883 0.252865 Rh\n0.250001 0.999948 0.000053 Rh\n0.393438 0.252865 0.533883 Rh\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Nd",
"Ge",
"Rh"
],
"chemical_system": "Ge-Nd-Rh",
"density": 8.499491371928947,
"density_atomic": 0.0532956130779296,
"volume": 375.2654082570683,
"volume_molar": 11.29950555441466,
"formula_full": "Nd4 Ge10 Rh6",
"formula_reduced": "Nd2Ge5Rh3",
"formula_anonymous": "A2B3C5",
"energy_above_hull": 1.833365175,
"spacegroup": 72
},
{
"id": "jvasp-46874",
"created_at": "2022-09-04T14:35:49.310034Z",
"updated_at": "2022-09-04T14:35:49.310060Z",
"structure_string": "Mn2 Cd3 O5\n1.0\n4.674940 0.000007 0.000015\n-2.337341 -5.134697 -0.017905\n-2.337445 0.000199 -5.221551\nMn Cd O\n2 3 5\ndirect\n0.002076 0.004862 -0.000011 Mn\n0.600766 0.398058 0.804090 Mn\n0.801123 0.201453 0.402021 Cd\n0.403885 0.609209 0.199782 Cd\n0.198375 0.793706 0.604264 Cd\n0.300918 0.201410 0.401928 O\n0.898102 0.626655 0.171032 O\n0.509842 0.030888 0.991473 O\n0.703868 0.776210 0.633011 O\n0.090902 0.372030 0.812532 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
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"Cd",
"O"
],
"chemical_system": "Cd-Mn-O",
"density": 6.983250258381032,
"density_atomic": 0.07978302059232506,
"volume": 125.33995235775738,
"volume_molar": 7.548148359501089,
"formula_full": "Mn2 Cd3 O5",
"formula_reduced": "Mn2Cd3O5",
"formula_anonymous": "A2B3C5",
"energy_above_hull": 1.654456123275862,
"spacegroup": 12
},
{
"id": "jvasp-107745",
"created_at": "2022-09-04T14:36:00.256844Z",
"updated_at": "2022-09-04T14:36:00.256871Z",
"structure_string": "Nd2 Ga5 Cu3\n1.0\n4.224970 0.000000 0.000000\n0.000000 4.224970 0.000000\n-0.000000 -0.000000 10.253233\nNd Ga Cu\n2 5 3\ndirect\n0.500000 0.000000 0.743274 Nd\n-0.000000 0.500000 0.256726 Nd\n-0.000000 0.500000 0.862829 Ga\n0.500000 0.000000 0.380502 Ga\n0.500000 0.000000 0.137171 Ga\n-0.000000 0.500000 0.619497 Ga\n0.500000 0.500000 -0.000000 Ga\n0.000000 0.000000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.500000 Cu\n",
"nsites": 10,
"nelements": 3,
"elements": [
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"Ga",
"Cu"
],
"chemical_system": "Cu-Ga-Nd",
"density": 7.509886622390134,
"density_atomic": 0.05463763773674893,
"volume": 183.0240181352874,
"volume_molar": 11.021963996714934,
"formula_full": "Nd2 Ga5 Cu3",
"formula_reduced": "Nd2Ga5Cu3",
"formula_anonymous": "A2B3C5",
"energy_above_hull": 0.00650704,
"spacegroup": 115
},
{
"id": "jvasp-112519",
"created_at": "2022-09-04T14:38:41.572250Z",
"updated_at": "2022-09-04T14:38:41.572279Z",
"structure_string": "Pr4 Ge10 Ir6\n1.0\n8.194033 -0.018798 -2.235435\n-1.678792 5.479341 -6.268826\n-0.025526 0.018798 8.493450\nPr Ge Ir\n4 10 6\ndirect\n0.862136 0.632345 0.229791 Pr\n0.137863 0.367655 0.770209 Pr\n0.402554 0.132345 0.270209 Pr\n0.597446 0.867655 0.729791 Pr\n0.259253 0.600189 0.659065 Ge\n0.740746 0.399811 0.340935 Ge\n0.941123 0.100189 0.840935 Ge\n0.058877 0.899811 0.159065 Ge\n0.225996 0.475996 0.250000 Ge\n0.774003 0.524003 0.750000 Ge\n0.225996 0.975997 0.750000 Ge\n0.500000 0.250000 0.750000 Ge\n0.500000 0.750000 0.250000 Ge\n0.774003 0.024003 0.250000 Ge\n0.469059 0.359356 0.109702 Ir\n-0.000000 0.750000 0.750000 Ir\n-0.000000 0.250000 0.250000 Ir\n0.249654 0.859356 0.390297 Ir\n0.750345 0.140643 0.609702 Ir\n0.530941 0.640643 0.890297 Ir\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Pr",
"Ge",
"Ir"
],
"chemical_system": "Ge-Ir-Pr",
"density": 10.626898991476786,
"density_atomic": 0.05238474826643833,
"volume": 381.7905146413298,
"volume_molar": 11.495981100014644,
"formula_full": "Pr4 Ge10 Ir6",
"formula_reduced": "Pr2Ge5Ir3",
"formula_anonymous": "A2B3C5",
"energy_above_hull": 2.471694275,
"spacegroup": 72
},
{
"id": "jvasp-41824",
"created_at": "2022-09-04T14:38:30.643019Z",
"updated_at": "2022-09-04T14:38:30.643046Z",
"structure_string": "Pr10 Al4 Ru6\n1.0\n-4.964268 4.964268 4.964268\n4.964268 -4.964268 4.964268\n4.964268 4.964268 -4.964268\nPr Al Ru\n10 4 6\ndirect\n0.250000 0.684314 0.434314 Pr\n0.286163 0.500001 0.000000 Pr\n0.500001 0.000000 0.286163 Pr\n0.213837 0.213837 0.213837 Pr\n0.815687 0.065687 0.750000 Pr\n0.000000 0.286163 0.500001 Pr\n0.684314 0.434314 0.250000 Pr\n0.434314 0.250000 0.684314 Pr\n0.750000 0.815687 0.065687 Pr\n0.065687 0.750000 0.815687 Pr\n0.591854 0.591854 0.591854 Al\n0.500001 0.000000 0.908146 Al\n0.908146 0.500001 0.000000 Al\n0.000000 0.908146 0.500001 Al\n0.631315 0.750000 0.381314 Ru\n0.250001 0.118685 0.868686 Ru\n0.750000 0.381314 0.631315 Ru\n0.868686 0.250001 0.118685 Ru\n0.118685 0.868686 0.250001 Ru\n0.381314 0.631315 0.750000 Ru\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Pr",
"Al",
"Ru"
],
"chemical_system": "Al-Pr-Ru",
"density": 7.205429860491474,
"density_atomic": 0.040869972618280466,
"volume": 489.35682406242495,
"volume_molar": 14.734878381852392,
"formula_full": "Pr10 Al4 Ru6",
"formula_reduced": "Pr5Al2Ru3",
"formula_anonymous": "A2B3C5",
"energy_above_hull": 2.9951476350000004,
"spacegroup": 199
},
{
"id": "jvasp-116502",
"created_at": "2022-09-04T14:38:43.369817Z",
"updated_at": "2022-09-04T14:38:43.369857Z",
"structure_string": "Li6 Co4 O10\n1.0\n11.685941 0.021162 1.066717\n11.338349 2.829047 1.066717\n-0.036835 -0.004560 4.935571\nLi Co O\n6 4 10\ndirect\n-0.000000 -0.000000 0.500000 Li\n0.403091 0.403092 0.703179 Li\n0.801580 0.801581 0.897702 Li\n0.198420 0.198420 0.102299 Li\n0.596908 0.596908 0.296822 Li\n0.500000 0.500000 0.000001 Li\n0.299944 0.299945 0.398358 Co\n0.700055 0.700056 0.601643 Co\n0.097165 0.097166 0.806608 Co\n0.902834 0.902835 0.193393 Co\n0.248050 0.248050 0.724418 O\n0.945574 0.945575 0.869571 O\n0.351743 0.351743 0.078443 O\n0.751949 0.751950 0.275583 O\n0.153637 0.153637 0.483169 O\n0.555981 0.555982 0.663857 O\n0.054425 0.054425 0.130429 O\n0.444018 0.444018 0.336144 O\n0.846362 0.846363 0.516832 O\n0.648256 0.648257 0.921558 O\n",
"nsites": 20,
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"elements": [
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"Co",
"O"
],
"chemical_system": "Co-Li-O",
"density": 4.480462686448982,
"density_atomic": 0.12338205855905303,
"volume": 162.0981221546698,
"volume_molar": 4.880888542735479,
"formula_full": "Li6 Co4 O10",
"formula_reduced": "Li3Co2O5",
"formula_anonymous": "A2B3C5",
"energy_above_hull": 2.30810293,
"spacegroup": 12
},
{
"id": "jvasp-59061",
"created_at": "2022-09-04T14:38:31.508158Z",
"updated_at": "2022-09-04T14:38:31.508195Z",
"structure_string": "Rb10 Au6 O4\n1.0\n5.677734 0.000000 0.000000\n0.000000 7.363329 -0.000000\n0.000000 -0.000000 14.328166\nRb Au O\n10 6 4\ndirect\n0.500000 0.172480 0.896444 Rb\n0.500000 0.327520 0.396444 Rb\n0.000000 0.386930 0.735317 Rb\n0.000000 0.613071 0.264684 Rb\n0.000000 0.886930 0.764684 Rb\n0.500000 0.672480 0.603556 Rb\n0.000000 0.500000 0.000000 Rb\n0.000000 0.000000 0.500000 Rb\n0.500000 0.827520 0.103556 Rb\n0.000000 0.113071 0.235316 Rb\n0.500000 0.149550 0.643933 Au\n0.500000 0.850450 0.356068 Au\n0.500000 0.649550 0.856068 Au\n0.500000 0.350450 0.143933 Au\n0.000000 0.500000 0.500000 Au\n0.000000 0.000000 0.000000 Au\n0.000000 0.676575 0.608949 O\n0.000000 0.176575 0.891052 O\n0.000000 0.823425 0.108949 O\n0.000000 0.323425 0.391052 O\n",
"nsites": 20,
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"elements": [
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],
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"density": 5.822731512649393,
"density_atomic": 0.03338797991431874,
"volume": 599.0179714772986,
"volume_molar": 18.036852710029788,
"formula_full": "Rb10 Au6 O4",
"formula_reduced": "Rb5Au3O2",
"formula_anonymous": "A2B3C5",
"energy_above_hull": 0.2185911259999995,
"spacegroup": 55
},
{
"id": "jvasp-116501",
"created_at": "2022-09-04T14:38:42.399150Z",
"updated_at": "2022-09-04T14:38:42.399173Z",
"structure_string": "Li6 Mn4 O10\n1.0\n2.834096 0.073740 -0.028384\n1.131139 11.751220 1.137796\n0.053786 -0.046575 5.030816\nLi Mn O\n6 4 10\ndirect\n0.899881 0.200007 0.299995 Li\n0.399946 0.200002 0.800003 Li\n0.303749 0.392234 0.092794 Li\n0.496235 0.007773 0.507216 Li\n0.701828 0.596383 0.900323 Li\n0.098233 0.803623 0.699665 Li\n0.996734 0.006220 0.992473 Mn\n0.600916 0.798159 0.201280 Mn\n0.803280 0.393778 0.607538 Mn\n0.199147 0.601839 0.398712 Mn\n0.053952 0.891469 0.328910 O\n0.455152 0.088867 0.141360 O\n0.344848 0.311129 0.458651 O\n0.844753 0.310689 0.922644 O\n0.955224 0.089311 0.677375 O\n0.250409 0.498976 0.721112 O\n0.549603 0.901021 0.878886 O\n0.651066 0.697411 0.534272 O\n0.148970 0.702584 0.065724 O\n0.746103 0.508528 0.271087 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
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"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 4.182504419310138,
"density_atomic": 0.1195448399213864,
"volume": 167.3012403810332,
"volume_molar": 5.03755809448589,
"formula_full": "Li6 Mn4 O10",
"formula_reduced": "Li3Mn2O5",
"formula_anonymous": "A2B3C5",
"energy_above_hull": 2.4975401982758623,
"spacegroup": 12
},
{
"id": "jvasp-102733",
"created_at": "2022-09-04T14:38:42.540130Z",
"updated_at": "2022-09-04T14:38:42.540156Z",
"structure_string": "La2 Ga5 Cu3\n1.0\n4.312658 0.000000 0.000000\n0.000000 4.312658 0.000000\n0.000000 0.000000 10.209349\nLa Ga Cu\n2 5 3\ndirect\n0.500000 0.000000 0.744644 La\n-0.000000 0.500000 0.255356 La\n-0.000000 0.500000 0.865346 Ga\n0.500000 0.000000 0.382891 Ga\n0.500000 0.000000 0.134654 Ga\n-0.000000 0.500000 0.617109 Ga\n0.500000 0.500000 -0.000000 Ga\n0.000000 0.000000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.500000 Cu\n",
"nsites": 10,
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"elements": [
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],
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"density": 7.145243813405527,
"density_atomic": 0.052663765853768287,
"volume": 189.88387628349716,
"volume_molar": 11.435074310336455,
"formula_full": "La2 Ga5 Cu3",
"formula_reduced": "La2Ga5Cu3",
"formula_anonymous": "A2B3C5",
"energy_above_hull": 0.0515815599999997,
"spacegroup": 115
},
{
"id": "jvasp-112905",
"created_at": "2022-09-04T14:38:43.055021Z",
"updated_at": "2022-09-04T14:38:43.055048Z",
"structure_string": "Li6 Mn4 O10\n1.0\n4.712348 -0.000047 1.742933\n-0.058998 7.100673 2.455278\n-0.118253 0.000020 4.910606\nLi Mn O\n6 4 10\ndirect\n0.500000 0.800001 0.099999 Li\n0.000000 0.800001 0.600000 Li\n0.500010 0.196444 0.901784 Li\n0.499991 0.403554 0.298217 Li\n0.499996 0.610696 0.694642 Li\n0.500005 0.989302 0.505360 Li\n0.000006 0.993053 0.003466 Mn\n0.000004 0.197214 0.401382 Mn\n-0.000008 0.606948 0.196536 Mn\n-0.000005 0.402785 0.798620 Mn\n0.773768 0.587527 0.956580 O\n0.234327 0.799996 0.873142 O\n0.765674 0.800002 0.326859 O\n0.224615 0.198626 0.658499 O\n0.224618 0.401375 0.057126 O\n0.775381 0.198624 0.142874 O\n0.775387 0.401374 0.541501 O\n0.226224 0.587527 0.455905 O\n0.226234 0.012472 0.243421 O\n0.773776 0.012472 0.744096 O\n",
"nsites": 20,
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"elements": [
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],
"chemical_system": "Li-Mn-O",
"density": 4.220978936853461,
"density_atomic": 0.12064452316847016,
"volume": 165.7762779009176,
"volume_molar": 4.991640400941016,
"formula_full": "Li6 Mn4 O10",
"formula_reduced": "Li3Mn2O5",
"formula_anonymous": "A2B3C5",
"energy_above_hull": 2.494556198275862,
"spacegroup": 12
}
]
}