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_anonymous&page=391",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_anonymous&page=389",
"results": [
{
"id": "jvasp-34134",
"created_at": "2022-09-04T14:38:39.982950Z",
"updated_at": "2022-09-04T14:38:39.982975Z",
"structure_string": "Te7 Mo8 S9\n1.0\n-1.842386 -2.802569 -0.000059\n0.107490 -0.070510 14.266992\n-7.719368 9.088451 -0.102039\nTe Mo S\n7 8 9\ndirect\n0.812428 0.606972 0.812439 Te\n0.039163 0.600069 0.539182 Te\n0.544293 0.893469 0.044278 Te\n0.453155 0.400629 0.953139 Te\n0.320946 0.886149 0.320935 Te\n0.179846 0.119176 0.179855 Te\n0.955003 0.110804 0.455015 Te\n0.364426 0.243916 0.364424 Mo\n0.857513 0.266597 0.857512 Mo\n0.887469 0.745846 0.387474 Mo\n0.117688 0.253064 0.617691 Mo\n0.386837 0.747209 0.886832 Mo\n0.612291 0.258915 0.112285 Mo\n0.137561 0.761182 0.137562 Mo\n0.636445 0.733495 0.636445 Mo\n0.292087 0.648201 0.292104 S\n0.208415 0.356915 0.208396 S\n0.560310 0.654809 0.060322 S\n0.946261 0.349095 0.446247 S\n0.064115 0.839865 0.564106 S\n0.702764 0.149810 0.702777 S\n0.688050 0.365593 0.688037 S\n0.796517 0.845377 0.796500 S\n0.436440 0.162837 0.936448 S\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Te",
"Mo",
"S"
],
"chemical_system": "Mo-S-Te",
"density": 5.91212268869155,
"density_atomic": 0.04383548191872779,
"volume": 547.5016801342956,
"volume_molar": 13.7380507671051,
"formula_full": "Te7 Mo8 S9",
"formula_reduced": "Te7Mo8S9",
"formula_anonymous": "A7B8C9",
"energy_above_hull": 3.766038398611111,
"spacegroup": 6
},
{
"id": "jvasp-33944",
"created_at": "2022-09-04T14:38:37.474715Z",
"updated_at": "2022-09-04T14:38:37.474736Z",
"structure_string": "Te9 Mo8 S7\n1.0\n1.868929 2.841536 0.000305\n-7.828683 9.219922 0.043413\n-1.534598 3.043426 14.407517\nTe Mo S\n9 8 7\ndirect\n0.271281 0.674618 0.108072 Te\n0.704891 0.350184 0.889981 Te\n0.033318 0.412245 0.108765 Te\n0.476769 0.075011 0.896573 Te\n0.702905 0.104275 0.385491 Te\n0.790618 0.144959 0.128723 Te\n0.478919 0.825847 0.390305 Te\n0.269657 0.922821 0.615205 Te\n0.046678 0.648655 0.609473 Te\n0.335891 0.033221 0.261636 Mo\n0.166783 0.456909 0.752763 Mo\n0.085914 0.787256 0.253508 Mo\n0.913686 0.203430 0.765925 Mo\n0.832931 0.547306 0.239384 Mo\n0.665950 0.957698 0.752848 Mo\n0.576678 0.300802 0.244919 Mo\n0.419738 0.710692 0.739266 Mo\n0.513627 0.155821 0.661275 S\n0.522322 0.899320 0.156571 S\n0.968131 0.359382 0.344832 S\n0.236236 0.590881 0.345602 S\n0.969708 0.608330 0.844044 S\n0.235254 0.840532 0.848559 S\n0.782138 0.389805 0.656285 S\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Te",
"Mo",
"S"
],
"chemical_system": "Mo-S-Te",
"density": 6.253780925266089,
"density_atomic": 0.04222940263514981,
"volume": 568.3244020132908,
"volume_molar": 14.260539776111933,
"formula_full": "Te9 Mo8 S7",
"formula_reduced": "Te9Mo8S7",
"formula_anonymous": "A7B8C9",
"energy_above_hull": 3.665396545833333,
"spacegroup": 8
},
{
"id": "jvasp-112208",
"created_at": "2022-09-04T14:38:44.361853Z",
"updated_at": "2022-09-04T14:38:44.361878Z",
"structure_string": "H36 C28\n1.0\n8.430374 0.000000 -3.405586\n0.000000 5.243231 0.000000\n-0.117156 0.000000 11.703117\nH C\n36 28\ndirect\n0.480407 0.248953 0.427571 H\n0.851711 0.693579 0.606665 H\n0.148289 0.306421 0.393334 H\n0.148288 0.193579 0.893334 H\n0.851711 0.806421 0.106665 H\n0.740240 0.885518 0.468987 H\n0.259759 0.114482 0.531013 H\n0.259760 0.385518 0.031013 H\n0.740240 0.614482 0.968987 H\n0.045493 0.058519 0.691704 H\n0.954506 0.941481 0.308296 H\n0.954506 0.558519 0.808296 H\n0.935314 0.247472 0.553133 H\n0.064685 0.752527 0.446867 H\n0.064685 0.747472 0.946867 H\n0.935314 0.252527 0.053133 H\n0.879813 0.380239 0.355564 H\n0.120186 0.619761 0.644436 H\n0.045493 0.441481 0.191704 H\n0.879813 0.119761 0.855564 H\n0.120186 0.880239 0.144436 H\n0.519592 0.751047 0.572429 H\n0.519592 0.748953 0.072429 H\n0.635332 0.468922 0.452439 H\n0.364668 0.531078 0.547561 H\n0.364668 0.968922 0.047561 H\n0.635331 0.031078 0.952439 H\n0.480407 0.251047 0.927571 H\n0.436811 0.653021 0.233612 H\n0.436811 0.846979 0.733612 H\n0.563188 0.153021 0.266388 H\n0.737004 0.868343 0.795728 H\n0.262995 0.131657 0.204271 H\n0.262995 0.368343 0.704271 H\n0.563188 0.346979 0.766388 H\n0.737004 0.631657 0.295728 H\n0.773153 0.441060 0.276563 C\n0.783624 0.083006 0.647541 C\n0.216376 0.916994 0.352458 C\n0.216375 0.583006 0.852458 C\n0.783624 0.416994 0.147541 C\n0.184472 0.382713 0.932585 C\n0.184472 0.117287 0.432585 C\n0.815527 0.617287 0.067414 C\n0.931076 0.101107 0.617909 C\n0.226846 0.558940 0.723437 C\n0.068924 0.898893 0.382091 C\n0.815527 0.882712 0.567414 C\n0.226846 0.941060 0.223437 C\n0.353344 0.734660 0.387161 C\n0.638674 0.246146 0.225802 C\n0.361325 0.753854 0.774198 C\n0.361326 0.746146 0.274198 C\n0.638673 0.253854 0.725802 C\n0.646655 0.234660 0.112839 C\n0.353344 0.765340 0.887161 C\n0.646655 0.265340 0.612839 C\n0.553830 0.106614 0.993618 C\n0.446169 0.893386 0.006382 C\n0.446169 0.606614 0.506382 C\n0.553831 0.393386 0.493618 C\n0.068923 0.601107 0.882091 C\n0.773153 0.058940 0.776563 C\n0.931076 0.398893 0.117909 C\n",
"nsites": 64,
"nelements": 2,
"elements": [
"H",
"C"
],
"chemical_system": "C-H",
"density": 1.2008463195748105,
"density_atomic": 0.12422025844241791,
"volume": 515.2138693196093,
"volume_molar": 4.847953816479583,
"formula_full": "H36 C28",
"formula_reduced": "H9C7",
"formula_anonymous": "A7B9",
"energy_above_hull": 5.1042875,
"spacegroup": 14
},
{
"id": "jvasp-85363",
"created_at": "2022-09-04T14:35:58.703600Z",
"updated_at": "2022-09-04T14:35:58.703626Z",
"structure_string": "Fe9 Co7\n1.0\n5.671880 -0.000011 -0.000003\n-0.000011 5.671883 -0.000040\n-0.000002 -0.000040 5.671885\nFe Co\n9 7\ndirect\n0.250032 0.250031 0.250031 Fe\n0.749972 0.250029 0.250029 Fe\n0.749972 0.749972 0.749973 Fe\n0.250029 0.749971 0.250029 Fe\n0.250029 0.250029 0.749972 Fe\n0.250032 0.749969 0.749969 Fe\n0.749969 0.749968 0.250033 Fe\n0.749969 0.250032 0.749969 Fe\n0.500001 0.499998 0.500003 Fe\n0.500001 0.000002 0.999999 Co\n1.000000 0.499999 0.500003 Co\n1.000000 0.000002 0.500004 Co\n1.000000 0.499998 0.999999 Co\n0.500001 0.499999 1.000000 Co\n1.000000 0.000002 0.999999 Co\n0.500001 0.000001 0.500002 Co\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Fe",
"Co"
],
"chemical_system": "Co-Fe",
"density": 8.328248421205162,
"density_atomic": 0.08768761711584552,
"volume": 182.46590027486027,
"volume_molar": 6.86772084597082,
"formula_full": "Fe9 Co7",
"formula_reduced": "Fe9Co7",
"formula_anonymous": "A7B9",
"energy_above_hull": 4.2022566125,
"spacegroup": 221
},
{
"id": "jvasp-52218",
"created_at": "2022-09-04T14:36:19.121637Z",
"updated_at": "2022-09-04T14:36:19.121655Z",
"structure_string": "Ti8 O13\n1.0\n6.485873 -0.003506 -0.002804\n1.826584 6.223354 -0.002804\n1.826584 1.366753 6.071420\nTi O\n8 13\ndirect\n0.058797 0.316845 0.875036 Ti\n0.277167 0.277167 0.277167 Ti\n0.316845 0.875035 0.058799 Ti\n0.124963 0.941201 0.683155 Ti\n0.875036 0.058797 0.316847 Ti\n0.683153 0.124963 0.941203 Ti\n0.722832 0.722831 0.722834 Ti\n0.941201 0.683153 0.124965 Ti\n0.741588 0.419329 0.828974 O\n0.795893 0.041055 0.643557 O\n0.643556 0.795892 0.041057 O\n0.419329 0.828972 0.741590 O\n0.580669 0.171026 0.258412 O\n0.041055 0.643556 0.795894 O\n0.204106 0.958943 0.356444 O\n0.258411 0.580669 0.171027 O\n0.958944 0.356442 0.204108 O\n0.171026 0.258411 0.580670 O\n0.000000 0.000000 0.000000 O\n0.356442 0.204106 0.958945 O\n0.828972 0.741588 0.419331 O\n",
"nsites": 21,
"nelements": 2,
"elements": [
"Ti",
"O"
],
"chemical_system": "O-Ti",
"density": 4.002612552039837,
"density_atomic": 0.08566019023860934,
"volume": 245.15472054759385,
"volume_molar": 7.0302677862670215,
"formula_full": "Ti8 O13",
"formula_reduced": "Ti8O13",
"formula_anonymous": "A8B13",
"energy_above_hull": 3.590924388888889,
"spacegroup": 148
},
{
"id": "jvasp-29442",
"created_at": "2022-09-04T14:37:54.220511Z",
"updated_at": "2022-09-04T14:37:54.220534Z",
"structure_string": "Bi14 Te13 S8\n1.0\n10.073923 0.076939 6.717690\n3.634512 9.395754 6.717689\n0.111343 0.076941 12.107803\nBi Te S\n14 13 8\ndirect\n0.392555 0.392555 0.392555 Bi\n0.886125 0.186279 0.742352 Bi\n0.536857 0.680959 0.952930 Bi\n0.113874 0.813720 0.257648 Bi\n0.463142 0.319041 0.047071 Bi\n0.680959 0.952929 0.536858 Bi\n0.047070 0.463142 0.319041 Bi\n0.186279 0.742352 0.886126 Bi\n0.813720 0.257648 0.113875 Bi\n0.319041 0.047071 0.463142 Bi\n0.952929 0.536858 0.680959 Bi\n0.607445 0.607445 0.607445 Bi\n0.257648 0.113874 0.813721 Bi\n0.742352 0.886125 0.186280 Bi\n0.485578 0.790129 0.367325 Te\n0.066666 0.358607 0.929439 Te\n0.632675 0.514421 0.209870 Te\n0.358607 0.929439 0.066667 Te\n0.070561 0.933333 0.641393 Te\n0.641392 0.070561 0.933334 Te\n0.514421 0.209870 0.632676 Te\n0.209870 0.632675 0.514422 Te\n0.790129 0.367324 0.485579 Te\n0.933333 0.641392 0.070561 Te\n0.929439 0.066666 0.358607 Te\n0.367324 0.485578 0.790130 Te\n0.000000 0.000000 0.000000 Te\n0.861290 0.707608 0.428630 S\n0.292391 0.571371 0.138710 S\n0.769373 0.769373 0.769374 S\n0.571371 0.138709 0.292392 S\n0.707608 0.428629 0.861291 S\n0.428629 0.861290 0.707609 S\n0.138709 0.292391 0.571371 S\n0.230626 0.230626 0.230626 S\n",
"nsites": 35,
"nelements": 3,
"elements": [
"Bi",
"Te",
"S"
],
"chemical_system": "Bi-S-Te",
"density": 7.099203080525267,
"density_atomic": 0.030909314482253758,
"volume": 1132.344750644498,
"volume_molar": 19.483255649223622,
"formula_full": "Bi14 Te13 S8",
"formula_reduced": "Bi14Te13S8",
"formula_anonymous": "A8B13C14",
"energy_above_hull": 1.4548611761904762,
"spacegroup": 148
},
{
"id": "jvasp-48315",
"created_at": "2022-09-04T14:36:05.843622Z",
"updated_at": "2022-09-04T14:36:05.843651Z",
"structure_string": "Fe8 O9\n1.0\n5.210430 0.032209 -0.016197\n0.875558 5.140936 -0.015582\n1.755237 0.627726 6.455747\nFe O\n8 9\ndirect\n0.896286 0.786688 0.424177 Fe\n0.441701 0.897235 0.205723 Fe\n0.795038 0.549126 0.892206 Fe\n0.322716 0.681642 0.674351 Fe\n0.204963 0.450876 0.107795 Fe\n0.677285 0.318360 0.325649 Fe\n0.558299 0.102767 0.794277 Fe\n0.103714 0.213314 0.575823 Fe\n0.065083 0.120351 0.290258 O\n0.596980 0.235893 0.058460 O\n0.279068 0.555768 0.390785 O\n0.817720 0.660981 0.172789 O\n0.720933 0.444234 0.609215 O\n0.934917 0.879651 0.709742 O\n0.182280 0.339021 0.827211 O\n0.403020 0.764109 0.941541 O\n0.500000 0.000001 0.500000 O\n",
"nsites": 17,
"nelements": 2,
"elements": [
"Fe",
"O"
],
"chemical_system": "Fe-O",
"density": 5.672580763833398,
"density_atomic": 0.0983045002695421,
"volume": 172.93206265621134,
"volume_molar": 6.126007195487319,
"formula_full": "Fe8 O9",
"formula_reduced": "Fe8O9",
"formula_anonymous": "A8B9",
"energy_above_hull": 3.5570391470588234,
"spacegroup": 2
},
{
"id": "jvasp-12449",
"created_at": "2022-09-04T14:37:20.137404Z",
"updated_at": "2022-09-04T14:37:20.137420Z",
"structure_string": "Co9 Se8\n1.0\n6.328406 0.000000 3.653707\n2.109468 5.966477 3.653707\n-0.000000 -0.000000 7.307413\nCo Se\n9 8\ndirect\n0.500000 0.500000 0.500000 Co\n0.123318 0.123318 0.630046 Co\n0.123318 0.630046 0.123318 Co\n0.630047 0.123318 0.123318 Co\n0.876682 0.876682 0.876682 Co\n0.369954 0.876682 0.876682 Co\n0.876682 0.876682 0.369954 Co\n0.123318 0.123318 0.123318 Co\n0.876682 0.369954 0.876681 Co\n0.264196 0.735804 0.264196 Se\n0.250000 0.250000 0.250000 Se\n0.750001 0.750000 0.750000 Se\n0.735804 0.264196 0.264196 Se\n0.735805 0.735804 0.264196 Se\n0.264196 0.264196 0.735804 Se\n0.735804 0.264196 0.735804 Se\n0.264196 0.735804 0.735804 Se\n",
"nsites": 17,
"nelements": 2,
"elements": [
"Co",
"Se"
],
"chemical_system": "Co-Se",
"density": 6.993727410036256,
"density_atomic": 0.061613086244974635,
"volume": 275.91541076854554,
"volume_molar": 9.77412612647883,
"formula_full": "Co9 Se8",
"formula_reduced": "Co9Se8",
"formula_anonymous": "A8B9",
"energy_above_hull": 2.982897943137255,
"spacegroup": 225
},
{
"id": "jvasp-5833",
"created_at": "2022-09-04T14:36:02.002449Z",
"updated_at": "2022-09-04T14:36:02.002472Z",
"structure_string": "As16 S18\n1.0\n0.000000 9.177984 0.095146\n9.707466 0.000000 0.000000\n0.000000 -2.076701 -9.716529\nAs S\n16 18\ndirect\n0.177542 0.024178 0.372378 As\n0.448320 0.774751 0.021406 As\n0.051680 0.774751 0.978594 As\n0.551679 0.225249 0.978593 As\n0.948320 0.225249 0.021406 As\n0.141472 0.579549 0.828983 As\n0.641472 0.420451 0.828982 As\n0.858528 0.420451 0.171017 As\n0.358528 0.579549 0.171017 As\n0.561413 0.676827 0.562839 As\n0.061413 0.323173 0.562840 As\n0.438587 0.323173 0.437160 As\n0.677541 0.975823 0.372378 As\n0.822458 0.975823 0.627621 As\n0.322458 0.024178 0.627622 As\n0.938586 0.676827 0.437160 As\n0.822445 0.832253 0.275961 S\n0.250000 0.431378 -0.000000 S\n0.750000 0.568622 -0.000000 S\n0.136600 0.675032 0.187956 S\n0.363400 0.675032 0.812044 S\n0.863400 0.324969 0.812044 S\n0.636599 0.324969 0.187956 S\n0.677555 0.832253 0.724038 S\n0.981765 0.166307 0.389234 S\n0.322445 0.167748 0.275961 S\n0.750000 0.554312 0.500000 S\n0.250000 0.445689 0.500000 S\n0.481765 0.833693 0.389235 S\n0.018235 0.833693 0.610765 S\n0.518235 0.166307 0.610765 S\n0.250000 0.920920 -0.000000 S\n0.177555 0.167748 0.724038 S\n0.750000 0.079081 -0.000000 S\n",
"nsites": 34,
"nelements": 2,
"elements": [
"As",
"S"
],
"chemical_system": "As-S",
"density": 3.4140542440134722,
"density_atomic": 0.03936206865417512,
"volume": 863.7757405159557,
"volume_molar": 15.299350277824471,
"formula_full": "As16 S18",
"formula_reduced": "As8S9",
"formula_anonymous": "A8B9",
"energy_above_hull": 2.6139672941176477,
"spacegroup": 13
},
{
"id": "jvasp-9095",
"created_at": "2022-09-04T14:37:06.683545Z",
"updated_at": "2022-09-04T14:37:06.683564Z",
"structure_string": "Co9 S8\n1.0\n6.008958 0.000000 3.469273\n2.002987 5.665299 3.469273\n-0.000000 -0.000000 6.938546\nCo S\n9 8\ndirect\n0.126433 0.126433 0.620703 Co\n0.126433 0.620703 0.126432 Co\n0.873568 0.379298 0.873567 Co\n0.500000 0.500000 0.500000 Co\n0.620703 0.126433 0.126432 Co\n0.873568 0.873567 0.379296 Co\n0.873568 0.873567 0.873566 Co\n0.126433 0.126433 0.126433 Co\n0.379298 0.873567 0.873567 Co\n0.750001 0.750000 0.749999 S\n0.738100 0.261901 0.261900 S\n0.261901 0.738100 0.738099 S\n0.261901 0.738100 0.261900 S\n0.738100 0.261901 0.738099 S\n0.261901 0.261901 0.738099 S\n0.738100 0.738100 0.261900 S\n0.250000 0.250000 0.250000 S\n",
"nsites": 17,
"nelements": 2,
"elements": [
"Co",
"S"
],
"chemical_system": "Co-S",
"density": 5.532080836632535,
"density_atomic": 0.0719711505150255,
"volume": 236.20575575557723,
"volume_molar": 8.367437114601566,
"formula_full": "Co9 S8",
"formula_reduced": "Co9S8",
"formula_anonymous": "A8B9",
"energy_above_hull": 3.263548711764705,
"spacegroup": 225
},
{
"id": "jvasp-116636",
"created_at": "2022-09-04T14:38:44.415541Z",
"updated_at": "2022-09-04T14:38:44.415567Z",
"structure_string": "Ti9 O10\n1.0\n5.064735 0.023325 0.539945\n-2.674692 4.300942 0.539945\n0.037034 0.067006 10.006371\nTi O\n9 10\ndirect\n0.841469 0.158529 0.500000 Ti\n0.574852 0.895840 0.255301 Ti\n0.351964 0.648035 -0.000000 Ti\n0.104159 0.425147 0.744698 Ti\n0.425146 0.104159 0.744698 Ti\n0.158530 0.841470 0.500000 Ti\n0.895840 0.574852 0.255301 Ti\n0.648035 0.351963 -0.000000 Ti\n0.000000 0.000000 0.000000 Ti\n0.059201 0.712042 0.880688 O\n0.287958 0.940798 0.119311 O\n0.549641 0.191055 0.375568 O\n0.808943 0.450358 0.624431 O\n0.450358 0.808944 0.624431 O\n0.940797 0.287957 0.119311 O\n0.191055 0.549642 0.375568 O\n0.397371 0.397372 0.863865 O\n0.712041 0.059202 0.880688 O\n0.602628 0.602628 0.136134 O\n",
"nsites": 19,
"nelements": 2,
"elements": [
"Ti",
"O"
],
"chemical_system": "O-Ti",
"density": 4.4954717895344505,
"density_atomic": 0.08706457789431606,
"volume": 218.22881887813529,
"volume_molar": 6.916866658803558,
"formula_full": "Ti9 O10",
"formula_reduced": "Ti9O10",
"formula_anonymous": "A9B10",
"energy_above_hull": 3.748148947368421,
"spacegroup": 12
},
{
"id": "jvasp-52129",
"created_at": "2022-09-04T14:37:08.673272Z",
"updated_at": "2022-09-04T14:37:08.673303Z",
"structure_string": "Ti9 O10\n1.0\n4.440107 -0.028589 -0.001970\n-2.045836 5.119285 0.013460\n-0.080730 -1.533027 8.849803\nTi O\n9 10\ndirect\n0.292913 0.964909 0.398012 Ti\n0.864453 0.289590 0.228941 Ti\n0.135547 0.710410 0.771058 Ti\n0.707087 0.035091 0.601988 Ti\n0.500000 0.500000 0.500000 Ti\n0.771595 0.016303 0.911270 Ti\n0.432215 0.344870 0.839062 Ti\n0.567785 0.655130 0.160938 Ti\n0.228405 0.983697 0.088730 Ti\n0.383467 0.703161 0.958315 O\n0.713290 0.724548 0.715740 O\n0.242206 0.723029 0.558376 O\n0.901173 0.321930 0.792122 O\n0.286710 0.275452 0.284260 O\n0.757794 0.276972 0.441624 O\n0.714145 0.811535 0.391128 O\n0.616533 0.296839 0.041684 O\n0.285855 0.188465 0.608872 O\n0.098827 0.678070 0.207877 O\n",
"nsites": 19,
"nelements": 2,
"elements": [
"Ti",
"O"
],
"chemical_system": "O-Ti",
"density": 4.887500040019882,
"density_atomic": 0.09465705667054168,
"volume": 200.72460171807782,
"volume_molar": 6.362062134427382,
"formula_full": "Ti9 O10",
"formula_reduced": "Ti9O10",
"formula_anonymous": "A9B10",
"energy_above_hull": 3.745671052631579,
"spacegroup": 2
}
]
}