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=-id&page=1523",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-id&page=1521",
"results": [
{
"id": "jvasp-55688",
"created_at": "2022-09-04T14:38:10.749312Z",
"updated_at": "2022-09-04T14:38:10.749341Z",
"structure_string": "Tl2 B12 H12\n1.0\n6.529639 -0.000000 3.769889\n2.176547 6.156203 3.769889\n-0.000000 -0.000000 7.539778\nTl B H\n2 12 12\ndirect\n0.250000 0.250000 0.250000 Tl\n0.750001 0.750000 0.750000 Tl\n0.218256 0.781744 0.052514 B\n0.947486 0.781744 0.218255 B\n0.218255 0.052514 0.947486 B\n0.947486 0.218255 0.052514 B\n0.052515 0.947485 0.218255 B\n0.781745 0.218255 0.947486 B\n0.052515 0.781744 0.947486 B\n0.781745 0.052514 0.218255 B\n0.947486 0.052514 0.781745 B\n0.218256 0.947485 0.781745 B\n0.052515 0.218255 0.781745 B\n0.781745 0.947485 0.052514 B\n0.907147 0.626864 0.373136 H\n0.373136 0.092853 0.907147 H\n0.907147 0.373136 0.092853 H\n0.092854 0.907147 0.373136 H\n0.626864 0.373136 0.907147 H\n0.092853 0.626864 0.907147 H\n0.626864 0.092853 0.373136 H\n0.907147 0.092853 0.626864 H\n0.373137 0.907147 0.626864 H\n0.626864 0.907147 0.092853 H\n0.373137 0.626864 0.092853 H\n0.092853 0.373136 0.626864 H\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Tl",
"B",
"H"
],
"chemical_system": "B-H-Tl",
"density": 3.016614504620397,
"density_atomic": 0.08578526271773142,
"volume": 303.0823614255356,
"volume_molar": 7.020017855299114,
"formula_full": "Tl2 B12 H12",
"formula_reduced": "Tl(BH)6",
"formula_anonymous": "AB6C6",
"energy_above_hull": 3.920815238461538,
"spacegroup": 202
},
{
"id": "jvasp-55675",
"created_at": "2022-09-04T14:38:10.082494Z",
"updated_at": "2022-09-04T14:38:10.082517Z",
"structure_string": "Ba4 Zn4 Cl16\n1.0\n6.540304 -0.000000 0.000000\n0.000000 6.765391 0.000000\n0.000000 0.000000 15.440093\nBa Zn Cl\n4 4 16\ndirect\n0.500000 0.750000 0.629433 Ba\n0.000000 0.250000 0.870567 Ba\n0.500000 0.250000 0.370567 Ba\n0.000000 0.750000 0.129433 Ba\n0.000000 0.750000 0.388880 Zn\n0.500000 0.250000 0.111120 Zn\n0.000000 0.250000 0.611120 Zn\n0.500000 0.750000 0.888880 Zn\n0.743193 0.595157 0.462367 Cl\n0.243194 0.404843 0.037632 Cl\n0.243194 0.904843 0.962367 Cl\n0.743193 0.095157 0.537632 Cl\n0.256806 0.404843 0.537632 Cl\n0.756806 0.595157 0.962367 Cl\n0.862438 0.987125 0.298549 Cl\n0.137562 0.012875 0.701451 Cl\n0.637561 0.487125 0.201451 Cl\n0.137562 0.512875 0.298549 Cl\n0.256806 0.904843 0.462367 Cl\n0.637561 0.987125 0.798549 Cl\n0.362438 0.512875 0.798549 Cl\n0.862438 0.487125 0.701451 Cl\n0.362438 0.012875 0.201451 Cl\n0.756806 0.095157 0.037632 Cl\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Ba",
"Zn",
"Cl"
],
"chemical_system": "Ba-Cl-Zn",
"density": 3.3497937939509654,
"density_atomic": 0.03512938066879242,
"volume": 683.1888164006452,
"volume_molar": 17.14274674176034,
"formula_full": "Ba4 Zn4 Cl16",
"formula_reduced": "BaZnCl4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 60
},
{
"id": "jvasp-55673",
"created_at": "2022-09-04T14:38:10.120203Z",
"updated_at": "2022-09-04T14:38:10.120214Z",
"structure_string": "Na6 In2 Cl12\n1.0\n3.438068 -5.954909 0.000000\n3.438068 5.954909 0.000000\n-0.000000 0.000000 12.414931\nNa In Cl\n6 2 12\ndirect\n0.333333 0.666667 0.038671 Na\n0.333333 0.666667 0.461329 Na\n0.000000 0.000000 0.750000 Na\n0.000000 0.000000 0.250000 Na\n0.666667 0.333333 0.961329 Na\n0.666667 0.333333 0.538671 Na\n0.333333 0.666667 0.750000 In\n0.666667 0.333333 0.250000 In\n0.955862 0.640397 0.372577 Cl\n0.359603 0.315466 0.372577 Cl\n0.044138 0.684534 0.872577 Cl\n0.315466 0.359603 0.872577 Cl\n0.640397 0.955862 0.872577 Cl\n0.955862 0.315466 0.127422 Cl\n0.640397 0.684534 0.627422 Cl\n0.684534 0.640397 0.127422 Cl\n0.044138 0.359603 0.627422 Cl\n0.359603 0.044138 0.127422 Cl\n0.315466 0.955862 0.627422 Cl\n0.684534 0.044138 0.372577 Cl\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Na",
"In",
"Cl"
],
"chemical_system": "Cl-In-Na",
"density": 2.5903843127756887,
"density_atomic": 0.03934287549491477,
"volume": 508.3512516156854,
"volume_molar": 15.306813963759176,
"formula_full": "Na6 In2 Cl12",
"formula_reduced": "Na3InCl6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 163
},
{
"id": "jvasp-55672",
"created_at": "2022-09-04T14:38:12.345196Z",
"updated_at": "2022-09-04T14:38:12.345223Z",
"structure_string": "Nb4 Se4 Br12\n1.0\n0.000000 6.611256 0.092565\n6.942064 0.000000 0.000000\n0.000000 -1.846377 -12.505570\nNb Se Br\n4 4 12\ndirect\n0.071675 0.642351 0.149587 Nb\n0.928326 0.642351 0.350412 Nb\n0.928325 0.357648 0.850412 Nb\n0.071674 0.357648 0.649587 Nb\n0.166051 0.083500 0.800305 Se\n0.166051 0.916500 0.300305 Se\n0.833949 0.916500 0.199694 Se\n0.833949 0.083500 0.699694 Se\n0.158372 0.687796 0.543881 Br\n0.158372 0.312204 0.043881 Br\n0.257294 0.564803 0.807365 Br\n0.742706 0.564803 0.692634 Br\n0.742707 0.435196 0.192634 Br\n0.634493 0.799097 0.426688 Br\n0.365507 0.200903 0.573312 Br\n0.634493 0.200903 0.926688 Br\n0.841628 0.687796 0.956119 Br\n0.365507 0.799097 0.073312 Br\n0.257294 0.435196 0.307365 Br\n0.841628 0.312204 0.456119 Br\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Nb",
"Se",
"Br"
],
"chemical_system": "Br-Nb-Se",
"density": 4.772921156650841,
"density_atomic": 0.0349182615613415,
"volume": 572.7662004268358,
"volume_molar": 17.246393407703888,
"formula_full": "Nb4 Se4 Br12",
"formula_reduced": "NbSeBr3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.241267016333333,
"spacegroup": 13
},
{
"id": "jvasp-55665",
"created_at": "2022-09-04T14:38:06.587436Z",
"updated_at": "2022-09-04T14:38:06.587464Z",
"structure_string": "As4 Cl8 F12\n1.0\n8.584784 -0.000000 0.000000\n0.000000 8.584784 -0.000000\n-0.000000 -0.000000 6.238052\nAs Cl F\n4 8 12\ndirect\n-0.000000 0.500000 0.678456 As\n0.500000 0.000000 0.321544 As\n0.000000 0.000000 0.000000 As\n0.500000 0.500000 0.000000 As\n0.046434 0.808212 0.199114 Cl\n0.808212 0.953566 0.800885 Cl\n0.453566 0.691788 0.800885 Cl\n0.308212 0.453566 0.199114 Cl\n0.191788 0.046434 0.800885 Cl\n0.691788 0.546433 0.199114 Cl\n0.953566 0.191788 0.199114 Cl\n0.546433 0.308212 0.800885 Cl\n-0.000000 0.500000 0.959956 F\n-0.000000 0.500000 0.392628 F\n0.500000 0.000000 0.607371 F\n0.923719 0.307280 0.675780 F\n0.807280 0.576280 0.675780 F\n0.192719 0.423719 0.675780 F\n0.076280 0.692719 0.675780 F\n0.576280 0.192719 0.324219 F\n0.692719 0.923719 0.324219 F\n0.307280 0.076280 0.324219 F\n0.500000 0.000000 0.040043 F\n0.423719 0.807280 0.324219 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"As",
"Cl",
"F"
],
"chemical_system": "As-Cl-F",
"density": 2.9303409063684636,
"density_atomic": 0.052203966961619094,
"volume": 459.7351771685292,
"volume_molar": 11.53579145513509,
"formula_full": "As4 Cl8 F12",
"formula_reduced": "AsCl2F3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.1433462839062502,
"spacegroup": 85
},
{
"id": "jvasp-55661",
"created_at": "2022-09-04T14:38:06.618000Z",
"updated_at": "2022-09-04T14:38:06.618010Z",
"structure_string": "Al4 Cu2 Cl16\n1.0\n0.000000 6.361378 -0.127935\n7.344998 0.000000 0.000000\n0.000000 -0.967152 -12.074172\nAl Cu Cl\n4 2 16\ndirect\n0.810639 0.736044 0.812492 Al\n0.810639 0.763956 0.312492 Al\n0.189362 0.263956 0.187509 Al\n0.189362 0.236044 0.687509 Al\n0.000000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.646569 -0.004976 0.362645 Cl\n0.353431 0.495024 0.137355 Cl\n0.353431 0.004976 0.637355 Cl\n0.646569 0.504976 0.862645 Cl\n0.169361 0.229446 0.361219 Cl\n0.830640 0.729446 0.138782 Cl\n0.830640 0.770554 0.638782 Cl\n0.309633 0.010294 0.113613 Cl\n0.690367 0.510294 0.386387 Cl\n0.129260 0.761068 0.896699 Cl\n0.309633 0.489706 0.613613 Cl\n0.690367 0.989706 0.886387 Cl\n0.870741 0.238932 0.103301 Cl\n0.129260 0.738932 0.396699 Cl\n0.169361 0.270554 0.861218 Cl\n0.870741 0.261068 0.603301 Cl\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Al",
"Cu",
"Cl"
],
"chemical_system": "Al-Cl-Cu",
"density": 2.357589954175605,
"density_atomic": 0.03893349441202668,
"volume": 565.0661553051896,
"volume_molar": 15.467763299817602,
"formula_full": "Al4 Cu2 Cl16",
"formula_reduced": "Al2CuCl8",
"formula_anonymous": "AB2C8",
"energy_above_hull": 0.2954289627272727,
"spacegroup": 14
},
{
"id": "jvasp-55660",
"created_at": "2022-09-04T14:38:08.116300Z",
"updated_at": "2022-09-04T14:38:08.116330Z",
"structure_string": "Sb8 Cl4 O10\n1.0\n0.000000 6.265493 0.053829\n5.149485 0.000000 0.000000\n0.000000 -1.461658 -13.607540\nSb Cl O\n8 4 10\ndirect\n0.794213 0.620697 0.702417 Sb\n0.205786 0.120697 0.797583 Sb\n0.205786 0.379304 0.297583 Sb\n0.794213 0.879304 0.202417 Sb\n0.191059 0.721456 0.549341 Sb\n0.808940 0.221456 0.950659 Sb\n0.808941 0.278544 0.450659 Sb\n0.191059 0.778545 0.049341 Sb\n0.497895 0.791954 0.383109 Cl\n0.502104 0.291954 0.116891 Cl\n0.497895 0.708047 0.883109 Cl\n0.502104 0.208046 0.616891 Cl\n0.000000 0.500000 0.000000 O\n0.070891 0.506788 0.417634 O\n0.929108 0.006787 0.082365 O\n0.929108 0.493213 0.582365 O\n0.070891 0.993213 0.917634 O\n0.079554 0.833532 0.710358 O\n0.920445 0.333532 0.789642 O\n0.920445 0.166469 0.289642 O\n0.079554 0.666469 0.210358 O\n-0.000000 0.000000 0.500000 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Sb",
"Cl",
"O"
],
"chemical_system": "Cl-O-Sb",
"density": 4.830179534242341,
"density_atomic": 0.05015624149408944,
"volume": 438.6293578754809,
"volume_molar": 12.006762429975275,
"formula_full": "Sb8 Cl4 O10",
"formula_reduced": "Sb4Cl2O5",
"formula_anonymous": "A2B4C5",
"energy_above_hull": 1.932375457727273,
"spacegroup": 14
},
{
"id": "jvasp-5566",
"created_at": "2022-09-04T14:37:42.089808Z",
"updated_at": "2022-09-04T14:37:42.089817Z",
"structure_string": "Al12 Te12 I4\n1.0\n4.141898 0.000000 0.000000\n0.000000 11.357082 0.000000\n0.000000 0.000000 19.904395\nAl Te I\n12 12 4\ndirect\n0.750000 0.837851 0.632950 Al\n0.750000 0.949815 0.101410 Al\n0.250000 0.050185 0.898590 Al\n0.750000 0.449815 0.398590 Al\n0.750000 0.828961 0.992272 Al\n0.250000 0.171038 0.007728 Al\n0.250000 0.550185 0.601410 Al\n0.250000 0.671038 0.492272 Al\n0.250000 0.662149 0.132950 Al\n0.750000 0.337851 0.867050 Al\n0.250000 0.162149 0.367050 Al\n0.750000 0.328961 0.507728 Al\n0.250000 0.091302 0.135222 Te\n0.250000 0.673839 -0.001061 Te\n0.750000 0.326160 0.001061 Te\n0.250000 0.173839 0.501061 Te\n0.750000 0.826160 0.498939 Te\n0.750000 0.908698 0.864778 Te\n0.750000 0.271288 0.308039 Te\n0.750000 0.408698 0.635222 Te\n0.750000 0.771288 0.191961 Te\n0.250000 0.228712 0.808039 Te\n0.250000 0.728712 0.691961 Te\n0.250000 0.591302 0.364778 Te\n0.750000 0.551586 0.830730 I\n0.750000 0.051586 0.669271 I\n0.250000 0.948414 0.330730 I\n0.250000 0.448414 0.169271 I\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Al",
"Te",
"I"
],
"chemical_system": "Al-I-Te",
"density": 4.190091262369966,
"density_atomic": 0.0299049367826359,
"volume": 936.3002571621556,
"volume_molar": 20.137614079481065,
"formula_full": "Al12 Te12 I4",
"formula_reduced": "Al3Te3I",
"formula_anonymous": "AB3C3",
"energy_above_hull": 1.1434154250000002,
"spacegroup": 62
},
{
"id": "jvasp-55658",
"created_at": "2022-09-04T14:38:11.131253Z",
"updated_at": "2022-09-04T14:38:11.131277Z",
"structure_string": "Nb4 Bi4 O16\n1.0\n5.073012 -0.000000 0.000000\n-0.000000 5.783494 0.000000\n0.000000 0.000000 11.746358\nNb Bi O\n4 4 16\ndirect\n0.750000 0.845134 0.250000 Nb\n0.750000 0.654865 0.750000 Nb\n0.250000 0.154865 0.750000 Nb\n0.250000 0.345135 0.250000 Nb\n0.275238 0.749999 0.000000 Bi\n0.224762 0.749999 0.500000 Bi\n0.724762 0.250000 0.000000 Bi\n0.775238 0.250000 0.500000 Bi\n0.496166 0.638391 0.309705 O\n0.496166 0.861608 0.690296 O\n0.996165 0.361608 0.809705 O\n0.996165 0.138392 0.190296 O\n0.503834 0.361608 0.690296 O\n0.503834 0.138392 0.309705 O\n0.416871 0.420032 0.099244 O\n0.583129 0.579967 0.900756 O\n0.083129 0.420032 0.400756 O\n0.083129 0.079968 0.599244 O\n0.003834 0.861608 0.809705 O\n0.583129 0.920031 0.099244 O\n0.916870 0.579967 0.599244 O\n0.916870 0.920031 0.400756 O\n0.416871 0.079968 0.900756 O\n0.003834 0.638391 0.190296 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Nb",
"Bi",
"O"
],
"chemical_system": "Bi-Nb-O",
"density": 7.051695427491517,
"density_atomic": 0.06963888834337953,
"volume": 344.6350246382364,
"volume_molar": 8.647669288323032,
"formula_full": "Nb4 Bi4 O16",
"formula_reduced": "NbBiO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.59404795,
"spacegroup": 52
},
{
"id": "jvasp-55652",
"created_at": "2022-09-04T14:38:12.588560Z",
"updated_at": "2022-09-04T14:38:12.588586Z",
"structure_string": "K8 Cd2 Cl12\n1.0\n8.534477 0.008841 0.040875\n0.040722 8.534384 0.040875\n0.008875 0.008841 8.534569\nK Cd Cl\n8 2 12\ndirect\n0.629458 0.870541 0.250001 K\n0.249999 0.629458 0.870542 K\n0.870541 0.250000 0.629459 K\n0.370541 0.129458 0.750000 K\n0.750000 0.370541 0.129459 K\n0.129458 0.750000 0.370542 K\n0.750000 0.749999 0.750001 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500001 Cd\n0.000000 0.000000 0.000000 Cd\n0.942227 0.070708 0.298792 Cl\n0.570708 0.442227 0.798792 Cl\n0.201208 0.429291 0.557773 Cl\n0.557773 0.201208 0.429292 Cl\n0.429291 0.557772 0.201209 Cl\n0.929291 0.701208 0.057774 Cl\n0.057772 0.929291 0.701209 Cl\n0.701208 0.057773 0.929292 Cl\n0.798791 0.570708 0.442228 Cl\n0.442227 0.798791 0.570709 Cl\n0.298791 0.942227 0.070709 Cl\n0.070708 0.298791 0.942227 Cl\n",
"nsites": 22,
"nelements": 3,
"elements": [
"K",
"Cd",
"Cl"
],
"chemical_system": "Cd-Cl-K",
"density": 2.5725935326205835,
"density_atomic": 0.035391457371574474,
"volume": 621.6189338862843,
"volume_molar": 17.015803267928806,
"formula_full": "K8 Cd2 Cl12",
"formula_reduced": "K4CdCl6",
"formula_anonymous": "AB4C6",
"energy_above_hull": 0.0,
"spacegroup": 167
},
{
"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-55650",
"created_at": "2022-09-04T14:38:08.508084Z",
"updated_at": "2022-09-04T14:38:08.508119Z",
"structure_string": "Rb4 Cd4 Cl12\n1.0\n4.062515 0.000000 0.000000\n0.000000 8.926731 0.000000\n0.000000 0.000000 14.963538\nRb Cd Cl\n4 4 12\ndirect\n0.750001 0.075005 0.326284 Rb\n0.250000 0.924995 0.673716 Rb\n0.750001 0.575005 0.173716 Rb\n0.250000 0.424995 0.826284 Rb\n0.750001 0.333140 0.557352 Cd\n0.250000 0.666860 0.442648 Cd\n0.750001 0.833140 0.942648 Cd\n0.250000 0.166860 0.057352 Cd\n0.250000 0.027373 0.898453 Cl\n0.750001 0.972627 0.101547 Cl\n0.250000 0.527373 0.601547 Cl\n0.250000 0.788958 0.289660 Cl\n0.750001 0.711042 0.789660 Cl\n0.750001 0.832340 0.504465 Cl\n0.750001 0.332340 0.995535 Cl\n0.250000 0.667660 0.004465 Cl\n0.750001 0.211042 0.710340 Cl\n0.750001 0.472627 0.398453 Cl\n0.250000 0.288958 0.210340 Cl\n0.250000 0.167660 0.495535 Cl\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Rb",
"Cd",
"Cl"
],
"chemical_system": "Cd-Cl-Rb",
"density": 3.723921731375186,
"density_atomic": 0.036856006803418606,
"volume": 542.6523851776825,
"volume_molar": 16.339645236448707,
"formula_full": "Rb4 Cd4 Cl12",
"formula_reduced": "RbCdCl3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 62
}
]
}