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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_anonymous&page=4488",
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"results": [
{
"id": "jvasp-5257",
"created_at": "2022-09-04T14:37:39.983340Z",
"updated_at": "2022-09-04T14:37:39.983368Z",
"structure_string": "Ga2 Se2 Br14\n1.0\n0.000000 6.553683 -0.139394\n6.507554 0.000000 0.000000\n0.000000 -3.187617 -14.112550\nGa Se Br\n2 2 14\ndirect\n0.333988 -0.004972 0.499093 Ga\n0.333988 0.004972 0.999093 Ga\n0.052081 0.581140 0.337534 Se\n0.052081 0.418859 0.837534 Se\n0.778305 0.628602 0.870560 Br\n0.778306 0.371398 0.370560 Br\n0.366667 0.353435 0.512125 Br\n0.366667 0.646565 0.012125 Br\n0.559614 0.840182 0.628444 Br\n0.559614 0.159817 0.128444 Br\n0.423529 0.125100 0.857239 Br\n0.850275 0.812126 0.226863 Br\n-0.007188 0.877531 0.498920 Br\n-0.007188 0.122469 -0.001080 Br\n0.195474 0.371928 0.232350 Br\n0.195474 0.628071 0.732350 Br\n0.423530 0.874899 0.357239 Br\n0.850275 0.187874 0.726863 Br\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ga",
"Se",
"Br"
],
"chemical_system": "Br-Ga-Se",
"density": 3.8880242058304626,
"density_atomic": 0.029763388066711884,
"volume": 604.7698588498952,
"volume_molar": 20.23338454110778,
"formula_full": "Ga2 Se2 Br14",
"formula_reduced": "GaSeBr7",
"formula_anonymous": "ABC7",
"energy_above_hull": 0.0,
"spacegroup": 7
},
{
"id": "jvasp-27257",
"created_at": "2022-09-04T14:37:50.815143Z",
"updated_at": "2022-09-04T14:37:50.815169Z",
"structure_string": "Fe2 Te2 Br14\n1.0\n6.747238 0.044797 -0.054240\n1.047412 8.690964 -0.023398\n2.309778 0.636040 10.070773\nFe Te Br\n2 2 14\ndirect\n0.498154 0.121204 0.119586 Fe\n0.769614 0.548329 0.557159 Fe\n0.951011 0.505446 0.082359 Te\n0.192978 0.936123 0.543699 Te\n0.331306 0.185594 0.572099 Br\n0.739196 0.340285 0.708199 Br\n0.670500 0.483974 0.364100 Br\n0.556952 0.762477 0.654758 Br\n0.113719 0.604399 0.501571 Br\n0.640650 0.626859 -0.005815 Br\n0.067575 0.756904 0.129627 Br\n0.975755 0.919966 0.776291 Br\n0.407130 0.050560 0.933998 Br\n0.492681 0.905064 0.275538 Br\n0.285854 0.332760 0.219557 Br\n0.843583 0.175865 0.065573 Br\n0.192947 0.476891 0.859287 Br\n0.910803 0.050599 0.424907 Br\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Fe",
"Te",
"Br"
],
"chemical_system": "Br-Fe-Te",
"density": 4.172342801467652,
"density_atomic": 0.030445091693269255,
"volume": 591.2283063998591,
"volume_molar": 19.780333791313115,
"formula_full": "Fe2 Te2 Br14",
"formula_reduced": "FeTeBr7",
"formula_anonymous": "ABC7",
"energy_above_hull": 0.4492891112962965,
"spacegroup": 1
},
{
"id": "jvasp-12881",
"created_at": "2022-09-04T14:36:31.661618Z",
"updated_at": "2022-09-04T14:36:31.661646Z",
"structure_string": "Fe2 Se2 Cl14\n1.0\n6.275703 0.048854 -0.101402\n0.929530 8.083430 -0.000785\n2.228524 0.544213 9.372093\nFe Se Cl\n2 2 14\ndirect\n0.495762 0.124633 0.121580 Fe\n0.763747 0.553654 0.555887 Fe\n0.952372 0.514878 0.077322 Se\n0.181790 0.948331 0.548535 Se\n0.108523 0.614464 0.507527 Cl\n0.661664 0.626922 -0.003633 Cl\n0.179813 0.481462 0.871028 Cl\n0.063718 0.747408 0.125034 Cl\n0.408494 0.045697 0.935355 Cl\n0.483651 0.911848 0.282988 Cl\n0.841828 0.183523 0.069512 Cl\n0.545123 0.767538 0.653276 Cl\n0.724471 0.344219 0.708808 Cl\n0.316398 0.180471 0.570460 Cl\n0.979362 0.930194 0.764503 Cl\n0.921987 0.048591 0.433402 Cl\n0.277551 0.339758 0.215259 Cl\n0.677338 0.486200 0.358458 Cl\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Fe",
"Se",
"Cl"
],
"chemical_system": "Cl-Fe-Se",
"density": 2.667610490083663,
"density_atomic": 0.0377523742550949,
"volume": 476.79120466365885,
"volume_molar": 15.951687486747346,
"formula_full": "Fe2 Se2 Cl14",
"formula_reduced": "FeSeCl7",
"formula_anonymous": "ABC7",
"energy_above_hull": 0.6677430376851851,
"spacegroup": 1
},
{
"id": "jvasp-24541",
"created_at": "2022-09-04T14:37:11.852173Z",
"updated_at": "2022-09-04T14:37:11.852198Z",
"structure_string": "B4 S4 F28\n1.0\n5.534003 0.000000 0.000000\n0.000000 8.998796 0.000000\n0.000000 0.000000 9.201644\nB S F\n4 4 28\ndirect\n0.750000 0.162811 0.481021 B\n0.750000 0.337189 0.981021 B\n0.250000 0.662811 0.018979 B\n0.250000 0.837190 0.518979 B\n0.250000 0.392033 0.771123 S\n0.750000 0.607968 0.228877 S\n0.750000 0.892033 0.728877 S\n0.250000 0.107968 0.271123 S\n0.250000 0.234032 0.706225 F\n0.750000 0.159816 0.635286 F\n0.250000 0.840184 0.364714 F\n0.250000 0.659817 0.864714 F\n0.750000 0.340184 0.135286 F\n0.750000 0.482066 0.926521 F\n0.250000 0.982067 0.573478 F\n0.250000 0.517934 0.073478 F\n0.750000 0.765969 0.293775 F\n0.541106 0.239745 0.430680 F\n0.041106 0.760255 0.569320 F\n0.750000 0.017934 0.426522 F\n0.750000 0.734032 0.793775 F\n0.459469 0.046834 0.175151 F\n0.540530 0.546835 0.324848 F\n0.040531 0.453166 0.675151 F\n0.458893 0.739745 0.069320 F\n0.959469 0.953166 0.824848 F\n0.459469 0.453166 0.675151 F\n0.959469 0.546835 0.324848 F\n0.540530 0.953166 0.824848 F\n0.040531 0.046834 0.175151 F\n0.541106 0.260255 0.930680 F\n0.958893 0.239745 0.430680 F\n0.458893 0.760255 0.569320 F\n0.041106 0.739745 0.069320 F\n0.250000 0.265968 0.206225 F\n0.958893 0.260255 0.930680 F\n",
"nsites": 36,
"nelements": 3,
"elements": [
"B",
"S",
"F"
],
"chemical_system": "B-F-S",
"density": 2.5491702581398115,
"density_atomic": 0.07856213494192092,
"volume": 458.23601951008493,
"volume_molar": 7.66544947442177,
"formula_full": "B4 S4 F28",
"formula_reduced": "BSF7",
"formula_anonymous": "ABC7",
"energy_above_hull": 0.4527260623148149,
"spacegroup": 62
},
{
"id": "jvasp-5683",
"created_at": "2022-09-04T14:36:50.627997Z",
"updated_at": "2022-09-04T14:36:50.628013Z",
"structure_string": "Ga2 Te2 I14\n1.0\n0.000000 7.236260 -0.131466\n7.211841 0.000000 0.000000\n0.000000 -3.787686 -15.378462\nGa Te I\n2 2 14\ndirect\n0.285443 0.490624 0.806823 Ga\n0.285443 0.509376 0.306823 Ga\n0.004778 0.084771 0.654878 Te\n0.004779 0.915229 0.154878 Te\n0.706034 0.125563 0.187305 I\n0.706034 0.874437 0.687305 I\n0.789038 0.669076 0.035513 I\n0.789038 0.330924 0.535512 I\n0.944444 0.616519 0.309703 I\n0.944444 0.383480 0.809703 I\n0.370818 0.378129 0.663968 I\n0.130179 0.862878 0.536643 I\n0.516244 0.678587 0.432465 I\n0.516244 0.321413 0.932465 I\n0.319320 0.156872 0.328653 I\n0.319320 0.843128 0.828653 I\n0.370819 0.621871 0.163968 I\n0.130179 0.137122 0.036643 I\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ga",
"Te",
"I"
],
"chemical_system": "Ga-I-Te",
"density": 4.472583420198663,
"density_atomic": 0.022328539072901298,
"volume": 806.1432027071326,
"volume_molar": 26.970599107886475,
"formula_full": "Ga2 Te2 I14",
"formula_reduced": "GaTeI7",
"formula_anonymous": "ABC7",
"energy_above_hull": 0.0,
"spacegroup": 7
},
{
"id": "jvasp-85754",
"created_at": "2022-09-04T14:35:59.260376Z",
"updated_at": "2022-09-04T14:35:59.260400Z",
"structure_string": "Al2 Se2 Cl14\n1.0\n6.272476 -0.022876 1.496909\n0.875423 8.128366 0.501073\n0.222430 -0.055909 9.742015\nAl Se Cl\n2 2 14\ndirect\n0.184324 0.974619 0.513887 Al\n0.477045 0.406389 0.943675 Al\n0.867265 0.370227 0.306571 Se\n0.010804 0.003867 0.979345 Se\n0.656414 0.175800 0.870384 Cl\n0.777243 0.010026 0.192949 Cl\n0.289796 0.892143 0.052742 Cl\n0.933643 0.781172 0.894718 Cl\n-0.067915 0.516550 0.724047 Cl\n-0.025140 0.597589 0.341519 Cl\n0.480441 0.588809 0.772898 Cl\n0.553239 0.509994 0.120135 Cl\n0.626870 0.336042 0.499296 Cl\n0.258423 0.171159 0.349676 Cl\n0.396792 0.762875 0.434464 Cl\n0.853673 0.937087 0.551681 Cl\n0.136913 0.356084 0.012860 Cl\n0.266971 0.069766 0.697356 Cl\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Al",
"Se",
"Cl"
],
"chemical_system": "Al-Cl-Se",
"density": 2.379265597957339,
"density_atomic": 0.03641623411057772,
"volume": 494.285047304537,
"volume_molar": 16.536967391284335,
"formula_full": "Al2 Se2 Cl14",
"formula_reduced": "AlSeCl7",
"formula_anonymous": "ABC7",
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"spacegroup": 1
},
{
"id": "jvasp-5506",
"created_at": "2022-09-04T14:36:02.120132Z",
"updated_at": "2022-09-04T14:36:02.120158Z",
"structure_string": "Au4 Se4 Cl28\n1.0\n0.000000 8.376473 0.032525\n9.991076 0.000000 0.000000\n0.000000 -3.859421 -11.602832\nAu Se Cl\n4 4 28\ndirect\n0.776453 0.079684 0.945292 Au\n0.223546 0.579685 0.554707 Au\n0.223546 0.920316 0.054707 Au\n0.776453 0.420316 0.445293 Au\n0.757104 0.705430 0.003014 Se\n0.242895 0.205430 0.496986 Se\n0.242895 0.294570 0.996986 Se\n0.757104 0.794570 0.503014 Se\n0.937541 0.252152 0.053253 Cl\n0.731796 0.299572 0.278188 Cl\n0.268204 0.799572 0.221811 Cl\n0.268204 0.700428 0.721811 Cl\n0.731796 0.200428 0.778188 Cl\n0.717076 0.950344 0.368755 Cl\n0.282924 0.049657 0.631244 Cl\n0.282924 0.450344 0.131244 Cl\n0.062459 0.752153 0.446746 Cl\n0.894393 0.911602 0.656592 Cl\n0.105607 0.411602 0.843407 Cl\n0.717076 0.549657 0.868755 Cl\n0.062459 0.747848 0.946746 Cl\n0.184595 0.040725 0.883445 Cl\n0.815405 0.959276 0.116555 Cl\n0.184595 0.459276 0.383445 Cl\n0.105607 0.088399 0.343408 Cl\n0.815405 0.540725 0.616554 Cl\n0.613753 0.907855 0.838330 Cl\n0.386247 0.407855 0.661669 Cl\n0.386246 0.092145 0.161670 Cl\n0.613753 0.592146 0.338330 Cl\n0.507794 0.810299 0.528872 Cl\n0.492205 0.310299 0.971127 Cl\n0.492205 0.189702 0.471127 Cl\n0.507794 0.689702 0.028872 Cl\n0.937541 0.247848 0.553253 Cl\n0.894393 0.588399 0.156592 Cl\n",
"nsites": 36,
"nelements": 3,
"elements": [
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"Se",
"Cl"
],
"chemical_system": "Au-Cl-Se",
"density": 3.5895917135696482,
"density_atomic": 0.037121568712647025,
"volume": 969.7866024647575,
"volume_molar": 16.22275396445815,
"formula_full": "Au4 Se4 Cl28",
"formula_reduced": "AuSeCl7",
"formula_anonymous": "ABC7",
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"spacegroup": 14
},
{
"id": "jvasp-97627",
"created_at": "2022-09-04T14:35:53.932848Z",
"updated_at": "2022-09-04T14:35:53.932863Z",
"structure_string": "Sr2 Ta2 F14\n1.0\n4.883474 -0.000465 0.000000\n-0.501539 6.723822 0.000000\n0.000000 0.000000 7.240070\nSr Ta F\n2 2 14\ndirect\n0.968749 0.683014 0.250000 Sr\n0.031250 0.316985 0.750000 Sr\n0.536351 0.216949 0.250000 Ta\n0.463648 0.783050 0.750000 Ta\n0.584771 0.505003 0.750000 F\n0.319721 0.212487 0.473948 F\n0.160006 0.954003 0.750000 F\n0.680278 0.787512 0.973948 F\n0.192084 0.640993 0.574118 F\n0.807915 0.359006 0.425882 F\n0.839993 0.045996 0.250000 F\n0.192084 0.640993 0.925882 F\n0.319721 0.212487 0.026052 F\n0.643792 0.056515 0.750000 F\n0.680278 0.787512 0.526052 F\n0.356207 0.943484 0.250000 F\n0.807915 0.359006 0.074118 F\n0.415227 0.494996 0.250000 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
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"F"
],
"chemical_system": "F-Sr-Ta",
"density": 5.609720249730357,
"density_atomic": 0.07571601295676886,
"volume": 237.73042579879845,
"volume_molar": 7.953589372750553,
"formula_full": "Sr2 Ta2 F14",
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"formula_anonymous": "ABC7",
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"spacegroup": 11
},
{
"id": "jvasp-5503",
"created_at": "2022-09-04T14:35:52.407980Z",
"updated_at": "2022-09-04T14:35:52.408000Z",
"structure_string": "Te2 Au2 Cl14\n1.0\n7.542840 0.171897 0.252868\n0.144380 7.512658 -0.075042\n-0.558678 -1.784864 8.868093\nTe Au Cl\n2 2 14\ndirect\n0.319498 0.224903 0.775220 Te\n0.680501 0.775099 0.224780 Te\n0.074355 0.781971 0.553420 Au\n0.925644 0.218030 0.446580 Au\n0.796876 0.675973 -0.017672 Cl\n0.203124 0.324028 0.017673 Cl\n0.101794 0.907097 0.809024 Cl\n0.898205 0.092904 0.190976 Cl\n0.777519 0.732442 0.576021 Cl\n0.222481 0.267560 0.423979 Cl\n0.951674 0.337085 0.703476 Cl\n0.579123 0.484691 0.231346 Cl\n0.371166 0.837582 0.533405 Cl\n0.628834 0.162419 0.466595 Cl\n0.408511 0.880684 0.131408 Cl\n0.591488 0.119318 0.868592 Cl\n0.048326 0.662916 0.296524 Cl\n0.420876 0.515311 0.768654 Cl\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Te",
"Au",
"Cl"
],
"chemical_system": "Au-Cl-Te",
"density": 3.7867989025550686,
"density_atomic": 0.035835212385016156,
"volume": 502.29924150041796,
"volume_molar": 16.8050929775375,
"formula_full": "Te2 Au2 Cl14",
"formula_reduced": "TeAuCl7",
"formula_anonymous": "ABC7",
"energy_above_hull": 0.2178804232407407,
"spacegroup": 2
},
{
"id": "jvasp-5653",
"created_at": "2022-09-04T14:38:07.341064Z",
"updated_at": "2022-09-04T14:38:07.341083Z",
"structure_string": "Al2 Te2 I14\n1.0\n0.000000 7.769011 -0.242164\n7.404501 0.000000 0.000000\n0.000000 -3.718428 -13.941911\nAl Te I\n2 2 14\ndirect\n0.694303 0.998598 0.349867 Al\n0.694303 0.001402 0.849867 Al\n0.002646 0.598360 0.492573 Te\n0.002646 0.401640 0.992573 Te\n0.469732 0.821527 0.224844 I\n0.469731 0.178473 0.724844 I\n0.651885 0.339871 0.327672 I\n0.651884 0.660128 0.827672 I\n0.666221 0.883161 0.513625 I\n0.666221 0.116839 0.013625 I\n0.008904 0.067768 0.827557 I\n0.950791 0.634565 0.134027 I\n0.217275 0.844849 0.612439 I\n0.217275 0.155151 0.112439 I\n0.276142 0.423031 0.432874 I\n0.950790 0.365434 0.634027 I\n0.276142 0.576969 0.932874 I\n0.008904 0.932232 0.327557 I\n",
"nsites": 18,
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"elements": [
"Al",
"Te",
"I"
],
"chemical_system": "Al-I-Te",
"density": 4.282996376835354,
"density_atomic": 0.022258357287127297,
"volume": 808.6850151520374,
"volume_molar": 27.055638843046125,
"formula_full": "Al2 Te2 I14",
"formula_reduced": "AlTeI7",
"formula_anonymous": "ABC7",
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"spacegroup": 7
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{
"id": "jvasp-99318",
"created_at": "2022-09-04T14:36:32.820433Z",
"updated_at": "2022-09-04T14:36:32.820455Z",
"structure_string": "Er4 Pt4 F28\n1.0\n5.375335 0.000000 0.000000\n0.000000 8.304495 -2.592377\n0.000000 0.054789 11.046861\nEr Pt F\n4 4 28\ndirect\n0.236795 0.423128 0.236705 Er\n0.736795 0.076872 0.263295 Er\n0.263204 0.923127 0.736705 Er\n0.763204 0.576872 0.763295 Er\n0.259595 0.270896 0.541668 Pt\n0.759594 0.229104 0.958332 Pt\n0.740405 0.729104 0.458332 Pt\n0.240405 0.770896 0.041668 Pt\n0.900642 0.304079 0.269174 F\n0.953528 0.350286 0.635668 F\n0.099357 0.695920 0.730825 F\n0.599356 0.804079 0.769174 F\n0.559591 0.575357 0.321156 F\n0.059591 0.924642 0.178843 F\n0.440408 0.424642 0.678843 F\n0.940408 0.075358 0.821156 F\n0.453529 0.149714 0.864331 F\n0.400643 0.195920 0.230826 F\n0.571427 0.386406 0.089917 F\n0.246709 0.432132 0.449936 F\n0.071428 0.113594 0.410083 F\n0.428572 0.613593 0.910083 F\n0.928571 0.886406 0.589917 F\n0.575998 0.192822 0.456826 F\n0.075998 0.307178 0.043174 F\n0.424001 0.807178 0.543174 F\n0.046471 0.649713 0.364331 F\n0.924001 0.692822 0.956825 F\n0.709137 0.886202 0.363149 F\n0.790862 0.386202 0.863149 F\n0.290862 0.113798 0.636850 F\n0.253291 0.932132 0.949936 F\n0.753290 0.567867 0.550063 F\n0.746708 0.067868 0.050064 F\n0.209137 0.613798 0.136850 F\n0.546471 0.850286 0.135668 F\n",
"nsites": 36,
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"elements": [
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"volume": 493.889196812562,
"volume_molar": 8.261861841801643,
"formula_full": "Er4 Pt4 F28",
"formula_reduced": "ErPtF7",
"formula_anonymous": "ABC7",
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"spacegroup": 14
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{
"id": "jvasp-101374",
"created_at": "2022-09-04T14:36:32.017805Z",
"updated_at": "2022-09-04T14:36:32.017827Z",
"structure_string": "Al4 Te4 Cl28\n1.0\n6.381655 -0.023744 -0.752371\n-1.127175 8.194025 -0.455226\n0.132808 0.069729 19.340826\nAl Te Cl\n4 4 28\ndirect\n0.307884 0.098354 0.396503 Al\n0.709723 0.334589 0.877226 Al\n0.692117 0.901647 0.603497 Al\n0.290278 0.665412 0.122774 Al\n0.714863 0.274899 0.108893 Te\n0.253060 0.281999 0.619801 Te\n0.285137 0.725102 0.891107 Te\n0.746941 0.718002 0.380199 Te\n0.613700 0.049980 0.367980 Cl\n0.134190 0.966874 0.878733 Cl\n0.381725 0.147528 0.056160 Cl\n0.661219 0.130760 0.804137 Cl\n0.117092 0.163020 0.309053 Cl\n0.624303 0.291116 0.222674 Cl\n0.865408 0.740441 0.270033 Cl\n0.093866 0.715211 0.029033 Cl\n0.829666 0.113553 0.553218 Cl\n0.860847 0.550011 0.832395 Cl\n0.405695 0.587532 0.338063 Cl\n0.112703 0.526114 0.598807 Cl\n0.627227 0.696491 0.524856 Cl\n0.170335 0.886448 0.446782 Cl\n0.139154 0.449990 0.167605 Cl\n0.411185 0.392992 0.909157 Cl\n0.386300 0.950021 0.632020 Cl\n0.882909 0.836981 0.690947 Cl\n0.906134 0.284790 0.970967 Cl\n0.375697 0.708885 0.777326 Cl\n0.588816 0.607009 0.090843 Cl\n0.865811 0.033127 0.121267 Cl\n0.134593 0.259560 0.729967 Cl\n0.338781 0.869241 0.195863 Cl\n0.618275 0.852473 0.943840 Cl\n0.594306 0.412469 0.661937 Cl\n0.887298 0.473887 0.401193 Cl\n0.372774 0.303510 0.475144 Cl\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Al",
"Te",
"Cl"
],
"chemical_system": "Al-Cl-Te",
"density": 2.64362295923531,
"density_atomic": 0.03557579717300393,
"volume": 1011.9239162774958,
"volume_molar": 16.92763406175982,
"formula_full": "Al4 Te4 Cl28",
"formula_reduced": "AlTeCl7",
"formula_anonymous": "ABC7",
"energy_above_hull": 0.3172065599074074,
"spacegroup": 2
}
]
}