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=342",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=340",
"results": [
{
"id": "jvasp-119509",
"created_at": "2022-09-04T14:38:34.508645Z",
"updated_at": "2022-09-04T14:38:34.508675Z",
"structure_string": "Ba2 Cu1 Ag3 Sn2 S8\n1.0\n6.341872 -0.054008 1.089640\n2.205048 5.945294 1.049271\n-0.096324 -0.097562 10.610822\nBa Cu Ag Sn S\n2 1 3 2 8\ndirect\n0.995027 0.000600 0.001222 Ba\n0.506167 0.501041 0.497758 Ba\n0.923149 0.884201 0.414841 Cu\n0.583558 0.593004 0.093141 Ag\n0.092263 0.092918 0.587596 Ag\n0.403874 0.406747 0.906456 Ag\n0.756593 0.750540 0.746893 Sn\n0.241245 0.253619 0.252103 Sn\n0.756987 0.368776 0.765731 S\n0.224231 0.874800 0.276821 S\n0.537283 0.927703 0.936528 S\n0.040627 0.441138 0.440622 S\n0.626240 0.241596 0.234936 S\n0.139805 0.746636 0.733830 S\n0.065859 0.460504 0.062685 S\n0.607099 0.956174 0.548833 S\n",
"nsites": 16,
"nelements": 5,
"elements": [
"Ba",
"Cu",
"Ag",
"Sn",
"S"
],
"chemical_system": "Ag-Ba-Cu-S-Sn",
"density": 4.769501724735845,
"density_atomic": 0.03976326361564373,
"volume": 402.3814582891846,
"volume_molar": 15.144986131447114,
"formula_full": "Ba2 Cu1 Ag3 Sn2 S8",
"formula_reduced": "Ba2CuAg3(SnS4)2",
"formula_anonymous": "AB2C2D3E8",
"energy_above_hull": 1.0583785981250002,
"spacegroup": 1
},
{
"id": "jvasp-32013",
"created_at": "2022-09-04T14:38:08.998100Z",
"updated_at": "2022-09-04T14:38:08.998125Z",
"structure_string": "Ni1 H16 C4 S4 N8 Cl2\n1.0\n-4.801061 4.801061 4.363707\n4.801061 -4.801061 4.363707\n4.801061 4.801061 -4.363707\nNi H C S N Cl\n1 16 4 4 8 2\ndirect\n-0.000161 -0.000161 -0.000000 Ni\n0.936261 0.943789 0.330968 H\n0.612819 0.605292 0.669031 H\n0.943789 0.612819 0.007527 H\n0.605292 0.936261 0.992473 H\n0.036031 0.028619 0.585608 H\n0.443012 0.450423 0.414391 H\n0.028619 0.443012 0.992588 H\n0.450423 0.036031 0.007412 H\n0.404751 0.616766 0.222088 H\n0.182662 0.404750 0.787984 H\n0.616766 0.394678 0.212016 H\n0.551911 0.198147 0.663595 H\n0.534552 0.888316 0.336405 H\n0.198147 0.534552 0.646236 H\n0.888316 0.551911 0.353764 H\n0.394678 0.182662 0.777912 H\n0.247353 0.074273 0.478127 C\n0.596146 0.769225 0.521873 C\n0.769225 0.247354 0.173080 C\n0.074273 0.596145 0.826920 C\n0.008318 0.284350 0.228953 S\n0.055396 0.779364 0.771046 S\n0.779364 0.008318 0.723968 S\n0.284350 0.055396 0.276032 S\n0.757482 0.410494 0.251453 N\n0.159041 0.506028 0.748547 N\n0.506029 0.757482 0.346986 N\n0.410494 0.159041 0.653013 N\n0.594800 0.060223 0.051442 N\n0.008780 0.543358 0.948558 N\n0.543358 0.594800 0.534578 N\n0.060222 0.008780 0.465422 N\n0.722544 0.722544 0.000000 Cl\n0.288557 0.288557 0.000000 Cl\n",
"nsites": 35,
"nelements": 6,
"elements": [
"Ni",
"H",
"C",
"S",
"N",
"Cl"
],
"chemical_system": "C-Cl-H-N-Ni-S",
"density": 1.791561387443792,
"density_atomic": 0.08699174103918862,
"volume": 402.33704466534317,
"volume_molar": 6.922658045534583,
"formula_full": "Ni1 H16 C4 S4 N8 Cl2",
"formula_reduced": "NiH16C4S4(N4Cl)2",
"formula_anonymous": "AB2C4D4E8F16",
"energy_above_hull": 4.253349043857144,
"spacegroup": 79
},
{
"id": "jvasp-120462",
"created_at": "2022-09-04T14:38:38.729070Z",
"updated_at": "2022-09-04T14:38:38.729097Z",
"structure_string": "Tm2 Al20 Fe4\n1.0\n6.730589 -0.002427 0.000000\n-0.830900 6.679104 0.000000\n-0.000000 0.000000 8.949967\nTm Al Fe\n2 20 4\ndirect\n0.872759 0.127241 0.750000 Tm\n0.127241 0.872758 0.250000 Tm\n0.478055 0.217796 0.250000 Al\n0.521945 0.782202 0.750000 Al\n0.782203 0.521945 0.250000 Al\n0.217797 0.478054 0.750000 Al\n0.581817 0.861713 0.250000 Al\n0.418183 0.138286 0.750000 Al\n0.138286 0.418183 0.250000 Al\n0.861714 0.581816 0.750000 Al\n0.845348 0.154651 0.403096 Al\n0.154652 0.845348 0.596905 Al\n0.845348 0.154651 0.096904 Al\n0.227622 0.227622 -0.000000 Al\n0.772378 0.772377 -0.000000 Al\n0.772378 0.772377 0.500000 Al\n0.227622 0.227622 0.500000 Al\n0.626873 0.373127 0.954254 Al\n0.373127 0.626872 0.045747 Al\n0.373127 0.626872 0.454254 Al\n0.626873 0.373127 0.545747 Al\n0.154652 0.845348 0.903096 Al\n0.500000 -0.000000 -0.000000 Fe\n-0.000000 0.500000 0.500000 Fe\n-0.000000 0.500000 -0.000000 Fe\n0.500000 -0.000000 0.500000 Fe\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Tm",
"Al",
"Fe"
],
"chemical_system": "Al-Fe-Tm",
"density": 4.54376154426024,
"density_atomic": 0.06462493496112177,
"volume": 402.3214880702247,
"volume_molar": 9.318602430505976,
"formula_full": "Tm2 Al20 Fe4",
"formula_reduced": "Tm(Al5Fe)2",
"formula_anonymous": "AB2C10",
"energy_above_hull": 2.3437725576923074,
"spacegroup": 63
},
{
"id": "jvasp-99680",
"created_at": "2022-09-04T14:36:35.615772Z",
"updated_at": "2022-09-04T14:36:35.615797Z",
"structure_string": "K2 Na1 Ta1 I6\n1.0\n7.175956 0.000000 4.143040\n2.391985 6.765556 4.143040\n0.000000 0.000000 8.286080\nK Na Ta I\n2 1 1 6\ndirect\n0.750001 0.750000 0.749999 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Ta\n0.759149 0.240852 0.240851 I\n0.240852 0.240852 0.759148 I\n0.240852 0.759149 0.759148 I\n0.240852 0.759149 0.240851 I\n0.759149 0.240852 0.759148 I\n0.759149 0.759149 0.240851 I\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Na",
"Ta",
"I"
],
"chemical_system": "I-K-Na-Ta",
"density": 4.307592223905246,
"density_atomic": 0.024858082082250613,
"volume": 402.28365031992104,
"volume_molar": 24.226087676731833,
"formula_full": "K2 Na1 Ta1 I6",
"formula_reduced": "K2NaTaI6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.1781641849999998,
"spacegroup": 225
},
{
"id": "jvasp-40542",
"created_at": "2022-09-04T14:37:47.390705Z",
"updated_at": "2022-09-04T14:37:47.390727Z",
"structure_string": "Rb2 Ta2 Ge2 S10\n1.0\n7.034489 0.024766 -0.045809\n1.795286 6.777878 -0.109876\n1.810642 2.664292 8.394517\nRb Ta Ge S\n2 2 2 10\ndirect\n0.582628 0.374073 0.314598 Rb\n0.417372 0.625928 0.685402 Rb\n0.239589 0.031811 0.005318 Ta\n0.760411 0.968190 0.994682 Ta\n0.979119 0.709439 0.378544 Ge\n0.020882 0.290562 0.621456 Ge\n0.070215 0.748192 -0.000127 S\n0.435681 0.238593 0.029582 S\n0.690335 0.882276 0.293755 S\n0.226976 0.873938 0.298841 S\n0.066183 0.384423 0.351098 S\n0.933817 0.615577 0.648902 S\n0.773024 0.126063 0.701159 S\n0.309665 0.117725 0.706245 S\n0.564319 0.761408 0.970418 S\n0.929786 0.251809 0.000127 S\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Rb",
"Ta",
"Ge",
"S"
],
"chemical_system": "Ge-Rb-S-Ta",
"density": 4.122853797544845,
"density_atomic": 0.03977471601071274,
"volume": 402.2655999779014,
"volume_molar": 15.140625412329845,
"formula_full": "Rb2 Ta2 Ge2 S10",
"formula_reduced": "RbTaGeS5",
"formula_anonymous": "ABCD5",
"energy_above_hull": 2.21952814375,
"spacegroup": 2
},
{
"id": "jvasp-116708",
"created_at": "2022-09-04T14:38:44.580310Z",
"updated_at": "2022-09-04T14:38:44.580336Z",
"structure_string": "Cr8 Se12\n1.0\n6.646715 -0.002251 -1.639681\n-1.951096 7.034475 -0.076447\n0.043847 0.001759 8.592873\nCr Se\n8 12\ndirect\n0.491556 0.239449 0.019632 Cr\n0.809337 0.563915 0.340714 Cr\n0.178489 0.906438 0.672826 Cr\n0.508445 0.760552 0.980368 Cr\n0.821512 0.093563 0.327174 Cr\n0.190664 0.436086 0.659285 Cr\n0.830674 0.326977 0.825299 Cr\n0.169326 0.673024 0.174701 Cr\n0.442873 0.231170 0.705888 Se\n0.225780 0.436815 0.970983 Se\n0.908655 0.107680 0.633160 Se\n0.557128 0.768831 0.294111 Se\n0.894358 0.596650 0.640554 Se\n0.105643 0.403350 0.359446 Se\n0.222752 0.927621 0.973549 Se\n0.455202 0.742257 0.686362 Se\n0.774221 0.563186 0.029016 Se\n0.777249 0.072380 0.026451 Se\n0.544799 0.257744 0.313638 Se\n0.091346 0.892321 0.366840 Se\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Cr",
"Se"
],
"chemical_system": "Cr-Se",
"density": 5.628736067544842,
"density_atomic": 0.04972104048285252,
"volume": 402.24419693907,
"volume_molar": 12.111855869301202,
"formula_full": "Cr8 Se12",
"formula_reduced": "Cr2Se3",
"formula_anonymous": "A2B3",
"energy_above_hull": 2.8246509800000004,
"spacegroup": 2
},
{
"id": "jvasp-22561",
"created_at": "2022-09-04T14:36:07.965755Z",
"updated_at": "2022-09-04T14:36:07.965780Z",
"structure_string": "Cs2 Te1 I6\n1.0\n7.175273 -0.000000 4.142646\n2.391758 6.764912 4.142646\n-0.000000 -0.000000 8.285291\nCs Te I\n2 1 6\ndirect\n0.250000 0.250000 0.250000 Cs\n0.750000 0.750000 0.750001 Cs\n0.000000 0.000000 0.000000 Te\n0.746439 0.253561 0.253562 I\n0.746439 0.746439 0.253562 I\n0.253561 0.253561 0.746439 I\n0.746439 0.253561 0.746439 I\n0.253561 0.746439 0.253562 I\n0.253561 0.746439 0.746439 I\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Cs",
"Te",
"I"
],
"chemical_system": "Cs-I-Te",
"density": 4.768279584290383,
"density_atomic": 0.022378664319658684,
"volume": 402.1687743040987,
"volume_molar": 26.910188534843932,
"formula_full": "Cs2 Te1 I6",
"formula_reduced": "Cs2TeI6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-119109",
"created_at": "2022-09-04T14:38:51.490965Z",
"updated_at": "2022-09-04T14:38:51.490990Z",
"structure_string": "Dy4 Mo4 O20\n1.0\n12.444645 0.000000 0.000000\n-0.000000 4.715951 2.417970\n-0.000000 0.025128 6.865394\nDy Mo O\n4 4 20\ndirect\n0.059475 0.657160 0.716779 Dy\n0.940526 0.342840 0.283221 Dy\n0.559475 0.342841 0.783220 Dy\n0.440525 0.657160 0.216779 Dy\n0.363729 0.913270 0.647817 Mo\n0.636272 0.086730 0.352183 Mo\n0.863729 0.086730 0.852183 Mo\n0.136271 0.913270 0.147817 Mo\n0.057372 0.707269 0.041615 O\n0.236134 0.768794 0.737728 O\n0.763867 0.231206 0.262272 O\n0.339563 0.232147 0.415259 O\n0.263866 0.768794 0.237728 O\n0.660437 0.767853 0.584740 O\n0.942628 0.292731 0.958384 O\n0.736134 0.231206 0.762271 O\n0.557372 0.292731 0.458384 O\n0.078195 0.018486 0.343633 O\n0.578196 0.981514 0.156367 O\n0.421805 0.018487 0.843632 O\n0.160437 0.232148 0.915259 O\n0.921805 0.981514 0.656367 O\n0.057488 0.456892 0.486831 O\n0.942513 0.543108 0.513168 O\n0.557488 0.543108 0.013169 O\n0.442512 0.456893 0.986831 O\n0.442628 0.707269 0.541615 O\n0.839563 0.767853 0.084741 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Dy",
"Mo",
"O"
],
"chemical_system": "Dy-Mo-O",
"density": 5.589660491097884,
"density_atomic": 0.06962360971981334,
"volume": 402.1624289904035,
"volume_molar": 8.64956698487041,
"formula_full": "Dy4 Mo4 O20",
"formula_reduced": "DyMoO5",
"formula_anonymous": "ABC5",
"energy_above_hull": 2.7902057,
"spacegroup": 14
},
{
"id": "jvasp-112534",
"created_at": "2022-09-04T14:38:41.254877Z",
"updated_at": "2022-09-04T14:38:41.254902Z",
"structure_string": "Rb4 La4 F16\n1.0\n3.856945 -0.000000 0.000000\n0.000000 6.488522 0.000000\n-0.000000 -0.000000 16.069729\nRb La F\n4 4 16\ndirect\n0.750001 0.274727 0.799717 Rb\n0.750001 0.774727 0.700283 Rb\n0.250000 0.725273 0.200283 Rb\n0.250000 0.225273 0.299717 Rb\n0.250000 0.252039 0.558833 La\n0.250000 0.752039 0.941167 La\n0.750001 0.747960 0.441167 La\n0.750001 0.247961 0.058833 La\n0.250000 0.594235 0.809997 F\n0.250000 0.094235 0.690003 F\n0.250000 0.108171 0.131106 F\n0.250000 0.608171 0.368894 F\n0.750001 0.891829 0.868894 F\n0.750001 0.391829 0.631106 F\n0.250000 0.499347 0.056593 F\n0.750001 0.364506 0.461073 F\n0.750001 0.500653 0.943407 F\n0.750001 0.000653 0.556593 F\n0.750001 0.905765 0.309997 F\n0.750001 0.864506 0.038927 F\n0.250000 0.635493 0.538927 F\n0.250000 0.135494 0.961073 F\n0.250000 -0.000653 0.443407 F\n0.750001 0.405765 0.190003 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Rb",
"La",
"F"
],
"chemical_system": "F-La-Rb",
"density": 4.9609329350747595,
"density_atomic": 0.059677890254280316,
"volume": 402.15898882716675,
"volume_molar": 10.091075160901939,
"formula_full": "Rb4 La4 F16",
"formula_reduced": "RbLaF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"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-28818",
"created_at": "2022-09-04T14:38:01.214145Z",
"updated_at": "2022-09-04T14:38:01.214171Z",
"structure_string": "Te6 W4 Se2\n1.0\n3.505441 -0.000000 -0.000000\n-1.752720 3.035971 -0.000007\n-0.000000 -0.000086 37.787080\nTe W Se\n6 4 2\ndirect\n0.333397 0.666796 0.326502 Te\n0.333317 0.666636 0.708013 Te\n0.666709 0.333419 0.419841 Te\n0.666650 0.333299 0.517340 Te\n0.333281 0.666563 0.229017 Te\n0.333351 0.666702 0.610584 Te\n0.333299 0.666596 0.097230 W\n0.333332 0.666664 0.468591 W\n0.666688 0.333376 0.277751 W\n0.666683 0.333366 0.659343 W\n0.666649 0.333298 0.054372 Se\n0.666640 0.333279 0.140165 Se\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Te",
"W",
"Se"
],
"chemical_system": "Se-Te-W",
"density": 6.849840435295942,
"density_atomic": 0.029839918474498836,
"volume": 402.1458708158063,
"volume_molar": 20.18149200087968,
"formula_full": "Te6 W4 Se2",
"formula_reduced": "Te3W2Se",
"formula_anonymous": "AB2C3",
"energy_above_hull": 3.690121111111112,
"spacegroup": 156
},
{
"id": "jvasp-40559",
"created_at": "2022-09-04T14:38:04.190731Z",
"updated_at": "2022-09-04T14:38:04.190747Z",
"structure_string": "Rb2 U2 Te6 Au2\n1.0\n4.401352 -0.000000 -0.000000\n2.200677 8.026364 0.000000\n-0.000000 -0.000000 11.382761\nRb U Te Au\n2 2 6 2\ndirect\n0.245145 0.509711 0.250000 Rb\n0.754856 0.490289 0.750000 Rb\n0.000000 0.000000 0.000000 U\n0.000000 0.000000 0.500000 U\n0.631465 0.737068 0.045317 Te\n0.927959 0.144081 0.250000 Te\n0.631465 0.737068 0.454683 Te\n0.368534 0.262932 0.545316 Te\n0.072041 0.855919 0.750000 Te\n0.368534 0.262932 0.954684 Te\n0.538942 0.922116 0.250000 Au\n0.461058 0.077883 0.750000 Au\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Rb",
"U",
"Te",
"Au"
],
"chemical_system": "Au-Rb-Te-U",
"density": 7.460035199455554,
"density_atomic": 0.029842051441040334,
"volume": 402.11712735998367,
"volume_molar": 20.180049524738905,
"formula_full": "Rb2 U2 Te6 Au2",
"formula_reduced": "RbUTe3Au",
"formula_anonymous": "ABCD3",
"energy_above_hull": 1.391399478333334,
"spacegroup": 63
}
]
}