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=elements&page=3563",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=elements&page=3561",
"results": [
{
"id": "jvasp-15391",
"created_at": "2022-09-04T14:36:20.051903Z",
"updated_at": "2022-09-04T14:36:20.051920Z",
"structure_string": "Tl1 Co2 Se2\n1.0\n3.712389 0.000000 -1.014611\n-0.277297 3.702019 -1.014611\n-0.004337 -0.004674 7.283122\nTl Co Se\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Tl\n0.249999 0.750001 0.500000 Co\n0.750000 0.250001 0.500000 Co\n0.650923 0.650925 0.301848 Se\n0.349075 0.349077 0.698152 Se\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Tl",
"Co",
"Se"
],
"chemical_system": "Co-Se-Tl",
"density": 7.968690041182424,
"density_atomic": 0.049970431408732384,
"volume": 100.05917217529255,
"volume_molar": 12.051408383373744,
"formula_full": "Tl1 Co2 Se2",
"formula_reduced": "Tl(CoSe)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.811544226666667,
"spacegroup": 139
},
{
"id": "jvasp-51199",
"created_at": "2022-09-04T14:36:49.244927Z",
"updated_at": "2022-09-04T14:36:49.244949Z",
"structure_string": "Tl1 Co1 W1\n1.0\n-0.000000 3.077291 3.077291\n3.077291 0.000000 3.077291\n3.077291 3.077291 -0.000000\nTl Co W\n1 1 1\ndirect\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Co\n0.750000 0.750000 0.750000 W\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Tl",
"Co",
"W"
],
"chemical_system": "Co-Tl-W",
"density": 12.740103173600797,
"density_atomic": 0.05147372038162643,
"volume": 58.28216763346392,
"volume_molar": 11.69944724288786,
"formula_full": "Tl1 Co1 W1",
"formula_reduced": "TlCoW",
"formula_anonymous": "ABC",
"energy_above_hull": 3.547261166666666,
"spacegroup": 216
},
{
"id": "jvasp-101051",
"created_at": "2022-09-04T14:36:49.697567Z",
"updated_at": "2022-09-04T14:36:49.697591Z",
"structure_string": "Tl3 Cr1 F6\n1.0\n5.526392 -0.000000 3.190664\n1.842131 5.210332 3.190664\n-0.000000 -0.000000 6.381328\nTl Cr F\n3 1 6\ndirect\n0.250000 0.250000 0.250000 Tl\n0.750000 0.750000 0.750000 Tl\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Cr\n0.787113 0.212886 0.212886 F\n0.212886 0.787113 0.787114 F\n0.212886 0.787113 0.212886 F\n0.787113 0.212886 0.787114 F\n0.212886 0.212886 0.787114 F\n0.787113 0.787113 0.212886 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Tl",
"Cr",
"F"
],
"chemical_system": "Cr-F-Tl",
"density": 7.041163843242409,
"density_atomic": 0.0544229210032567,
"volume": 183.74610946372383,
"volume_molar": 11.06544935292913,
"formula_full": "Tl3 Cr1 F6",
"formula_reduced": "Tl3CrF6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0093736895000005,
"spacegroup": 225
},
{
"id": "jvasp-56764",
"created_at": "2022-09-04T14:37:06.296341Z",
"updated_at": "2022-09-04T14:37:06.296357Z",
"structure_string": "Tl8 Cr2 I12\n1.0\n9.118987 0.000000 0.000000\n0.000000 9.118987 -0.000000\n0.000000 0.000000 9.703996\nTl Cr I\n8 2 12\ndirect\n0.355706 0.144294 0.250000 Tl\n0.144294 0.644294 0.750000 Tl\n0.644294 0.855706 0.750000 Tl\n0.855706 0.355706 0.750000 Tl\n0.355706 0.144294 0.750000 Tl\n0.144294 0.644294 0.250000 Tl\n0.855706 0.355706 0.250000 Tl\n0.644294 0.855706 0.250000 Tl\n0.500000 0.500000 0.000000 Cr\n0.000000 0.000000 0.500000 Cr\n0.500000 0.500000 0.715442 I\n0.199717 0.361545 0.000000 I\n0.000000 0.000000 0.784559 I\n0.361545 0.800283 0.000000 I\n0.500000 0.500000 0.284559 I\n0.300283 0.861545 0.500000 I\n0.138455 0.300283 0.500000 I\n0.638455 0.199717 0.000000 I\n0.800283 0.638455 0.000000 I\n0.861545 0.699717 0.500000 I\n0.000000 0.000000 0.215441 I\n0.699717 0.138455 0.500000 I\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Tl",
"Cr",
"I"
],
"chemical_system": "Cr-I-Tl",
"density": 6.712395968199993,
"density_atomic": 0.027263328647038516,
"volume": 806.9447529617685,
"volume_molar": 22.08879494490544,
"formula_full": "Tl8 Cr2 I12",
"formula_reduced": "Tl4CrI6",
"formula_anonymous": "AB4C6",
"energy_above_hull": 0.0003590909090912,
"spacegroup": 128
},
{
"id": "jvasp-55651",
"created_at": "2022-09-04T14:38:36.853284Z",
"updated_at": "2022-09-04T14:38:36.853304Z",
"structure_string": "Tl8 Cr2 I12\n1.0\n9.177935 -0.052730 0.000000\n-0.300650 9.173161 0.000000\n0.000000 0.000000 9.670822\nTl Cr I\n8 2 12\ndirect\n0.140392 0.859608 0.250000 Tl\n0.859608 0.140392 0.750000 Tl\n0.140392 0.859608 0.750000 Tl\n0.350175 0.350175 0.250000 Tl\n0.649825 0.649825 0.250000 Tl\n0.649825 0.649825 0.750000 Tl\n0.350175 0.350175 0.750000 Tl\n0.859608 0.140392 0.250000 Tl\n0.500000 0.000000 0.000000 Cr\n-0.000000 0.500000 0.500000 Cr\n0.146480 0.180537 0.500000 I\n0.367241 0.715219 0.000000 I\n-0.000000 0.500000 0.216135 I\n0.500000 0.000000 0.716135 I\n-0.000000 0.500000 0.783865 I\n0.632759 0.284781 0.000000 I\n0.715219 0.367241 0.500000 I\n0.284781 0.632759 0.500000 I\n0.180537 0.146480 0.000000 I\n0.819463 0.853520 0.000000 I\n0.853521 0.819463 0.500000 I\n0.500000 0.000000 0.283865 I\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Tl",
"Cr",
"I"
],
"chemical_system": "Cr-I-Tl",
"density": 6.653892386417721,
"density_atomic": 0.02702570822286877,
"volume": 814.0397216818877,
"volume_molar": 22.283008128179784,
"formula_full": "Tl8 Cr2 I12",
"formula_reduced": "Tl4CrI6",
"formula_anonymous": "AB4C6",
"energy_above_hull": 0.0,
"spacegroup": 66
},
{
"id": "jvasp-98547",
"created_at": "2022-09-04T14:36:07.990406Z",
"updated_at": "2022-09-04T14:36:07.990419Z",
"structure_string": "Tl8 Cr12 O48\n1.0\n8.803193 -0.000000 0.000000\n-0.000000 8.710918 0.000000\n0.000000 0.000000 13.010389\nTl Cr O\n8 12 48\ndirect\n0.603284 0.247912 0.906931 Tl\n0.603284 0.747912 0.593069 Tl\n0.103284 0.752088 0.906931 Tl\n0.896716 0.747912 0.406931 Tl\n0.103284 0.252088 0.593069 Tl\n0.396716 0.252088 0.406931 Tl\n0.896716 0.247912 0.093069 Tl\n0.396716 0.752088 0.093069 Tl\n0.750000 0.113793 0.500000 Cr\n0.250000 0.386207 0.000000 Cr\n0.750000 0.613793 0.000000 Cr\n0.974812 0.119819 0.832631 Cr\n0.474812 0.380181 0.667369 Cr\n0.250000 0.886207 0.500000 Cr\n0.025187 0.380181 0.332631 Cr\n0.025187 0.880181 0.167369 Cr\n0.525187 0.619819 0.332631 Cr\n0.474812 0.880181 0.832631 Cr\n0.974812 0.619819 0.667369 Cr\n0.525187 0.119819 0.167369 Cr\n0.628885 0.516745 0.260153 O\n0.416084 0.737463 0.262558 O\n0.916084 0.762537 0.237442 O\n0.083916 0.737463 0.737442 O\n0.583916 0.762537 0.762558 O\n0.583916 0.262537 0.737442 O\n0.416084 0.237463 0.237442 O\n0.916084 0.262537 0.262558 O\n0.354193 0.772616 0.575622 O\n0.854193 0.727384 0.924378 O\n0.145807 0.772616 0.424378 O\n0.128885 0.983256 0.239847 O\n0.083916 0.237463 0.762558 O\n0.854193 0.227384 0.575622 O\n0.638004 0.505919 0.928154 O\n0.371114 0.483256 0.739847 O\n0.138004 -0.005919 0.571846 O\n0.861996 0.505919 0.071846 O\n0.361996 -0.005919 0.428154 O\n0.361996 0.494081 0.071846 O\n0.861996 0.005919 0.428154 O\n0.138004 0.494081 0.928154 O\n0.638004 0.005919 0.571846 O\n0.411060 0.010258 0.096572 O\n0.911060 0.489742 0.403428 O\n0.088939 0.010258 0.903428 O\n0.588939 0.489742 0.596572 O\n0.588939 0.989743 0.903428 O\n0.088939 0.510258 0.596572 O\n0.911060 0.989743 0.096572 O\n0.371114 0.983256 0.760153 O\n0.411060 0.510258 0.403428 O\n0.354193 0.272616 0.924378 O\n0.145807 0.272616 0.075622 O\n0.645807 0.227384 0.424378 O\n0.639476 0.727182 0.415637 O\n0.139476 0.772818 0.084363 O\n0.860524 0.727182 0.584363 O\n0.360524 0.772818 0.915637 O\n0.360524 0.272818 0.584363 O\n0.860524 0.227182 0.915637 O\n0.139476 0.272818 0.415637 O\n0.639476 0.227182 0.084363 O\n0.628885 0.016744 0.239847 O\n0.128885 0.483256 0.260153 O\n0.871114 0.016744 0.760153 O\n0.645807 0.727384 0.075622 O\n0.871114 0.516745 0.739847 O\n",
"nsites": 68,
"nelements": 3,
"elements": [
"Tl",
"Cr",
"O"
],
"chemical_system": "Cr-O-Tl",
"density": 5.038088217149439,
"density_atomic": 0.06815763021978875,
"volume": 997.6872696530023,
"volume_molar": 8.835607606338908,
"formula_full": "Tl8 Cr12 O48",
"formula_reduced": "Tl2Cr3O12",
"formula_anonymous": "A2B3C12",
"energy_above_hull": 3.007415847058823,
"spacegroup": 60
},
{
"id": "jvasp-57360",
"created_at": "2022-09-04T14:38:17.224765Z",
"updated_at": "2022-09-04T14:38:17.224781Z",
"structure_string": "Tl1 Cr3 O8\n1.0\n5.079313 -0.103468 -0.122642\n2.197220 4.580648 -0.122642\n-0.499331 -0.307233 7.766874\nTl Cr O\n1 3 8\ndirect\n0.000000 0.000000 0.000000 Tl\n0.377708 0.377709 0.700189 Cr\n0.622291 0.622292 0.299811 Cr\n-0.000000 0.000000 0.500000 Cr\n0.740047 0.233701 0.676740 O\n0.766299 0.259952 0.323260 O\n0.223541 0.223542 0.550940 O\n0.776458 0.776459 0.449060 O\n0.324735 0.324736 0.894607 O\n0.675264 0.675264 0.105393 O\n0.259952 0.766300 0.323260 O\n0.233700 0.740048 0.676740 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Tl",
"Cr",
"O"
],
"chemical_system": "Cr-O-Tl",
"density": 4.4538572577404025,
"density_atomic": 0.06590559884168047,
"volume": 182.07861260507775,
"volume_molar": 9.13752528744407,
"formula_full": "Tl1 Cr3 O8",
"formula_reduced": "TlCr3O8",
"formula_anonymous": "AB3C8",
"energy_above_hull": 3.2007619000000003,
"spacegroup": 12
},
{
"id": "jvasp-26042",
"created_at": "2022-09-04T14:38:34.888526Z",
"updated_at": "2022-09-04T14:38:34.888542Z",
"structure_string": "Tl1 Cr5 S8\n1.0\n3.420169 -0.000007 -0.660488\n-0.420894 8.350420 -2.179572\n-0.010551 -0.023612 9.131337\nTl Cr S\n1 5 8\ndirect\n0.000000 0.000000 0.000000 Tl\n0.500001 0.500000 -0.000000 Cr\n0.203748 0.835227 0.407486 Cr\n0.796254 0.164772 0.592514 Cr\n0.841962 0.528653 0.683935 Cr\n0.158040 0.471347 0.316066 Cr\n0.329297 0.010843 0.658575 S\n0.670705 0.989157 0.341426 S\n0.737664 0.656256 0.475317 S\n0.262338 0.343744 0.524683 S\n0.415225 0.675106 0.830436 S\n0.584777 0.324894 0.169564 S\n0.076452 0.650295 0.152886 S\n0.923550 0.349705 0.847114 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Tl",
"Cr",
"S"
],
"chemical_system": "Cr-S-Tl",
"density": 4.59436289911732,
"density_atomic": 0.05373273768503977,
"volume": 260.5487939598855,
"volume_molar": 11.207582229104773,
"formula_full": "Tl1 Cr5 S8",
"formula_reduced": "TlCr5S8",
"formula_anonymous": "AB5C8",
"energy_above_hull": 3.3411185428571435,
"spacegroup": 12
},
{
"id": "jvasp-8212",
"created_at": "2022-09-04T14:38:06.499439Z",
"updated_at": "2022-09-04T14:38:06.499466Z",
"structure_string": "Tl1 Cr1 S2\n1.0\n3.490560 -0.000667 6.857846\n1.644350 3.078981 6.857846\n-0.001113 -0.000667 7.695068\nTl Cr S\n1 1 2\ndirect\n0.166306 0.166305 0.166305 Tl\n0.999786 0.999782 0.999786 Cr\n0.609713 0.609710 0.609713 S\n0.390899 0.390898 0.390899 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tl",
"Cr",
"S"
],
"chemical_system": "Cr-S-Tl",
"density": 6.432254733949924,
"density_atomic": 0.04834297331112175,
"volume": 82.74211795491203,
"volume_molar": 12.45711702762509,
"formula_full": "Tl1 Cr1 S2",
"formula_reduced": "TlCrS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.81913,
"spacegroup": 160
},
{
"id": "jvasp-26175",
"created_at": "2022-09-04T14:38:01.623842Z",
"updated_at": "2022-09-04T14:38:01.623860Z",
"structure_string": "Tl2 Cr6 S10\n1.0\n3.501307 -0.000037 -0.000038\n-1.750592 9.683380 0.028923\n-1.750492 -3.261591 10.180538\nTl Cr S\n2 6 10\ndirect\n0.913998 0.654624 0.173398 Tl\n0.086004 0.345376 0.826601 Tl\n0.500000 -0.000000 -0.000000 Cr\n0.000001 0.500000 0.500000 Cr\n0.224323 0.060204 0.388447 Cr\n0.775678 0.939796 0.611552 Cr\n0.244688 0.263494 0.225878 Cr\n0.755314 0.736506 0.774121 Cr\n0.363062 0.107517 0.618618 S\n0.636939 0.892483 0.381382 S\n0.183175 0.758407 0.607932 S\n0.816827 0.241593 0.392068 S\n0.076348 0.000863 0.151824 S\n0.672297 0.264818 0.079780 S\n0.923653 -0.000863 0.848176 S\n0.429573 0.511292 0.347863 S\n0.327705 0.735182 0.920219 S\n0.570429 0.488708 0.652137 S\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Tl",
"Cr",
"S"
],
"chemical_system": "Cr-S-Tl",
"density": 5.005211822650687,
"density_atomic": 0.052099209263190026,
"volume": 345.4946870511843,
"volume_molar": 11.558986873635451,
"formula_full": "Tl2 Cr6 S10",
"formula_reduced": "TlCr3S5",
"formula_anonymous": "AB3C5",
"energy_above_hull": 2.9673672,
"spacegroup": 12
},
{
"id": "jvasp-78833",
"created_at": "2022-09-04T14:37:12.937005Z",
"updated_at": "2022-09-04T14:37:12.937029Z",
"structure_string": "Tl1 Cr1 Se2\n1.0\n-1.661128 -2.877157 0.000000\n-3.322255 0.000000 -0.000000\n-1.661128 -0.959052 -9.338133\nTl Cr Se\n1 1 2\ndirect\n0.161830 0.161831 0.514509 Tl\n0.996349 0.996349 0.010954 Cr\n0.384357 0.384358 0.846929 Se\n0.275464 0.275464 0.173608 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tl",
"Cr",
"Se"
],
"chemical_system": "Cr-Se-Tl",
"density": 7.707380891325747,
"density_atomic": 0.044812937343899524,
"volume": 89.25993780107628,
"volume_molar": 13.438397741673155,
"formula_full": "Tl1 Cr1 Se2",
"formula_reduced": "TlCrSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.6443191833333333,
"spacegroup": 160
},
{
"id": "jvasp-9405",
"created_at": "2022-09-04T14:37:07.749805Z",
"updated_at": "2022-09-04T14:37:07.749834Z",
"structure_string": "Tl1 Cr5 Se8\n1.0\n3.599155 -0.000000 -0.698789\n-0.430523 8.695999 -2.217439\n-0.004371 -0.003546 9.595726\nTl Cr Se\n1 5 8\ndirect\n0.000000 0.000000 0.000000 Tl\n0.500001 0.500000 -0.000000 Cr\n0.157377 0.474828 0.314753 Cr\n0.203953 0.835588 0.407904 Cr\n0.796049 0.164412 0.592097 Cr\n0.842626 0.525172 0.685248 Cr\n0.925332 0.343175 0.850661 Se\n0.330831 0.007177 0.661661 Se\n0.669171 0.992822 0.338339 Se\n0.415045 0.678808 0.830087 Se\n0.584957 0.321191 0.169913 Se\n0.737864 0.656556 0.475725 Se\n0.262138 0.343444 0.524275 Se\n0.074671 0.656825 0.149340 Se\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Tl",
"Cr",
"Se"
],
"chemical_system": "Cr-Se-Tl",
"density": 6.06121962137283,
"density_atomic": 0.04662416305782061,
"volume": 300.27348657471885,
"volume_molar": 12.916351447492337,
"formula_full": "Tl1 Cr5 Se8",
"formula_reduced": "TlCr5Se8",
"formula_anonymous": "AB5C8",
"energy_above_hull": 3.0026376095238105,
"spacegroup": 12
}
]
}