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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=120",
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"results": [
{
"id": "jvasp-56548",
"created_at": "2022-09-04T14:38:35.555323Z",
"updated_at": "2022-09-04T14:38:35.555361Z",
"structure_string": "Tb16 Cd4 Co4\n1.0\n8.184293 -0.000000 4.725203\n2.728098 7.716224 4.725203\n0.000000 0.000000 9.450407\nTb Cd Co\n16 4 4\ndirect\n0.188528 0.811472 0.188528 Tb\n0.188528 0.811472 0.811472 Tb\n0.937836 0.562164 0.937836 Tb\n0.346686 0.959943 0.346685 Tb\n0.562164 0.937835 0.937836 Tb\n0.937836 0.937835 0.562164 Tb\n0.346686 0.346685 0.959943 Tb\n0.562164 0.937835 0.562164 Tb\n0.188528 0.188528 0.811472 Tb\n0.811472 0.188528 0.188528 Tb\n0.937836 0.562164 0.562164 Tb\n0.811472 0.811472 0.188528 Tb\n0.811472 0.188528 0.811472 Tb\n0.562164 0.562164 0.937836 Tb\n0.346686 0.346685 0.346686 Tb\n0.959943 0.346685 0.346685 Tb\n0.580946 0.257160 0.580946 Cd\n0.580946 0.580946 0.580946 Cd\n0.580946 0.580946 0.257160 Cd\n0.257161 0.580946 0.580946 Cd\n0.577202 0.140933 0.140933 Co\n0.140933 0.140933 0.140933 Co\n0.140933 0.140933 0.577202 Co\n0.140933 0.577202 0.140933 Co\n",
"nsites": 24,
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"formula_full": "Tb16 Cd4 Co4",
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"formula_anonymous": "ABC4",
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{
"id": "jvasp-112489",
"created_at": "2022-09-04T14:38:41.208495Z",
"updated_at": "2022-09-04T14:38:41.208513Z",
"structure_string": "Te12 Ir2 Cl6\n1.0\n8.560861 0.049799 -2.716356\n-3.725205 7.708026 -2.716356\n0.031041 0.049799 8.981423\nTe Ir Cl\n12 2 6\ndirect\n0.918016 0.174617 0.193621 Te\n0.325384 0.581984 0.306378 Te\n0.581984 0.306379 0.325383 Te\n0.825384 0.806379 0.081984 Te\n0.806379 0.081984 0.825383 Te\n0.081985 0.825384 0.806378 Te\n0.306379 0.325384 0.581984 Te\n0.418016 0.693622 0.674616 Te\n0.693622 0.674617 0.418015 Te\n0.174616 0.193621 0.918016 Te\n0.193622 0.918016 0.174616 Te\n0.674617 0.418016 0.693621 Te\n0.250000 0.250000 0.250000 Ir\n0.750001 0.750001 0.749999 Ir\n0.479436 0.750000 0.020565 Cl\n0.979435 0.520565 0.249999 Cl\n0.250001 0.979436 0.520565 Cl\n0.520565 0.250000 0.979434 Cl\n0.750000 0.020565 0.479434 Cl\n0.020565 0.479435 0.750000 Cl\n",
"nsites": 20,
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"elements": [
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"Ir",
"Cl"
],
"chemical_system": "Cl-Ir-Te",
"density": 5.923583541713803,
"density_atomic": 0.03352138547021129,
"volume": 596.6340507546432,
"volume_molar": 17.96507117926723,
"formula_full": "Te12 Ir2 Cl6",
"formula_reduced": "Te6IrCl3",
"formula_anonymous": "AB3C6",
"energy_above_hull": 1.2088669902500002,
"spacegroup": 167
},
{
"id": "jvasp-40138",
"created_at": "2022-09-04T14:37:28.338542Z",
"updated_at": "2022-09-04T14:37:28.338563Z",
"structure_string": "Ca8 Sn2 S12\n1.0\n3.830069 -6.255610 0.000000\n-3.153956 -6.231352 2.327709\n-3.182210 -6.248650 -11.344364\nCa Sn S\n8 2 12\ndirect\n0.675505 0.542313 0.846965 Ca\n0.935217 0.042313 0.346965 Ca\n0.193262 0.216347 0.046129 Ca\n0.544262 0.716347 0.546129 Ca\n0.018731 0.831215 0.885574 Ca\n0.264480 0.331215 0.385574 Ca\n0.333542 0.249715 0.704257 Ca\n0.712485 0.749715 0.204257 Ca\n0.340826 0.663075 0.110247 Sn\n0.885854 0.163074 0.610247 Sn\n0.364752 0.854856 0.743194 S\n0.037198 0.354856 0.243194 S\n0.986644 0.941404 0.083795 S\n-0.011842 0.441404 0.583795 S\n0.124038 0.858372 0.523421 S\n0.613605 0.952570 0.367967 S\n0.586736 0.331746 0.514532 S\n0.566987 0.831746 0.014532 S\n0.065858 0.452570 0.867967 S\n0.697664 0.164793 0.789717 S\n0.494168 0.358372 0.023421 S\n0.347826 0.664793 0.289718 S\n",
"nsites": 22,
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"elements": [
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],
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"density": 2.6241129857426713,
"density_atomic": 0.03687444433599925,
"volume": 596.6191598586927,
"volume_molar": 16.331475276281765,
"formula_full": "Ca8 Sn2 S12",
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"energy_above_hull": 0.9520248527272728,
"spacegroup": 9
},
{
"id": "jvasp-119583",
"created_at": "2022-09-04T14:38:52.233346Z",
"updated_at": "2022-09-04T14:38:52.233367Z",
"structure_string": "Nb9 Ir1 S20\n1.0\n6.731963 0.012384 1.011833\n3.137644 8.328547 1.756494\n0.020927 0.411473 10.713028\nNb Ir S\n9 1 20\ndirect\n0.500000 -0.000000 -0.000000 Nb\n0.708190 0.398049 0.394454 Nb\n0.571477 0.210516 0.220032 Nb\n0.291810 0.601951 0.605546 Nb\n0.193620 0.409523 0.412504 Nb\n0.900975 0.817926 0.819709 Nb\n0.099025 0.182074 0.180290 Nb\n0.806380 0.590476 0.587495 Nb\n0.428523 0.789484 0.779967 Nb\n0.000000 0.000000 0.000000 Ir\n0.148796 0.888940 0.629557 S\n0.045904 0.523173 0.769887 S\n0.335601 0.113129 0.371572 S\n0.546151 0.688010 0.426674 S\n0.453849 0.311989 0.573326 S\n0.664398 0.886870 0.628427 S\n0.954096 0.476827 0.230112 S\n0.750631 0.923916 0.167509 S\n0.851204 0.111060 0.370443 S\n0.250142 0.900305 0.167961 S\n0.164187 0.720320 0.971204 S\n0.045884 0.695619 0.426102 S\n0.441583 0.494909 0.230847 S\n0.954115 0.304380 0.573897 S\n0.749858 0.099694 0.832038 S\n0.656014 0.711404 0.968446 S\n0.835813 0.279680 0.028795 S\n0.249369 0.076084 0.832490 S\n0.343986 0.288596 0.031553 S\n0.558417 0.505091 0.769153 S\n",
"nsites": 30,
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"elements": [
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],
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"density": 4.6480383589180825,
"density_atomic": 0.05029329238623162,
"volume": 596.5010158732987,
"volume_molar": 11.974043603573328,
"formula_full": "Nb9 Ir1 S20",
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"formula_anonymous": "AB9C20",
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"spacegroup": 2
},
{
"id": "jvasp-113027",
"created_at": "2022-09-04T14:38:44.331615Z",
"updated_at": "2022-09-04T14:38:44.331640Z",
"structure_string": "Er16 Mg4 Ni4\n1.0\n8.182003 -0.000000 4.723882\n2.727334 7.714066 4.723882\n-0.000000 -0.000000 9.447763\nEr Mg Ni\n16 4 4\ndirect\n0.184260 0.815740 0.815739 Er\n0.062846 0.062847 0.437153 Er\n0.437153 0.437154 0.062846 Er\n0.062846 0.437154 0.062846 Er\n0.437153 0.062847 0.437153 Er\n0.062846 0.437154 0.437153 Er\n0.211972 0.596009 0.596009 Er\n0.596009 0.211973 0.596009 Er\n0.437153 0.062847 0.062846 Er\n0.596009 0.596009 0.596009 Er\n0.184261 0.184261 0.815739 Er\n0.815738 0.815740 0.184261 Er\n0.184260 0.815740 0.184261 Er\n0.815739 0.184261 0.815739 Er\n0.815739 0.184261 0.184261 Er\n0.596009 0.596009 0.211972 Er\n0.829697 0.829698 0.829697 Mg\n0.829697 0.829698 0.510906 Mg\n0.829697 0.510907 0.829697 Mg\n0.510906 0.829698 0.829697 Mg\n0.391913 0.824259 0.391913 Ni\n0.391913 0.391914 0.391913 Ni\n0.391913 0.391914 0.824259 Ni\n0.824258 0.391914 0.391913 Ni\n",
"nsites": 24,
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"elements": [
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],
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"density": 8.376735847252407,
"density_atomic": 0.04024753314390263,
"volume": 596.3098387717192,
"volume_molar": 14.962757440234162,
"formula_full": "Er16 Mg4 Ni4",
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"formula_anonymous": "ABC4",
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"spacegroup": 216
},
{
"id": "jvasp-95294",
"created_at": "2022-09-04T14:36:12.152686Z",
"updated_at": "2022-09-04T14:36:12.152718Z",
"structure_string": "Sc8 Te12\n1.0\n7.031736 0.003785 -1.309609\n-2.665714 6.506865 -1.309609\n-0.002114 -0.003153 13.028983\nSc Te\n8 12\ndirect\n0.207286 0.957284 0.914569 Sc\n0.042716 0.792715 0.585431 Sc\n0.792716 0.042716 0.085431 Sc\n0.957286 0.207285 0.414569 Sc\n0.875536 0.625535 0.251069 Sc\n0.374466 0.124466 0.248931 Sc\n0.124466 0.374466 0.748931 Sc\n0.625536 0.875535 0.751069 Sc\n0.292589 0.541399 0.583289 Te\n0.958112 0.209299 0.916711 Te\n0.541400 0.292588 0.083289 Te\n0.209299 0.958110 0.416711 Te\n0.707413 0.458601 0.416711 Te\n0.871385 0.621384 0.750000 Te\n0.128617 0.378616 0.250000 Te\n0.621385 0.871384 0.250000 Te\n0.790703 0.041890 0.583289 Te\n0.378617 0.128617 0.750000 Te\n0.041890 0.790702 0.083289 Te\n0.458602 0.707412 0.916711 Te\n",
"nsites": 20,
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"elements": [
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],
"chemical_system": "Sc-Te",
"density": 5.266319510898027,
"density_atomic": 0.033545297348773456,
"volume": 596.2087559415023,
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"formula_full": "Sc8 Te12",
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"spacegroup": 70
},
{
"id": "jvasp-26771",
"created_at": "2022-09-04T14:38:29.042955Z",
"updated_at": "2022-09-04T14:38:29.042990Z",
"structure_string": "Rb4 U2 Si8 O24\n1.0\n-6.878943 0.071499 -0.003927\n1.775297 8.012948 -0.013216\n-0.209584 -3.231670 -10.785711\nRb U Si O\n4 2 8 24\ndirect\n0.194061 0.298069 0.991157 Rb\n0.830862 0.743663 0.655243 Rb\n0.805937 0.701931 0.008844 Rb\n0.169137 0.256338 0.344758 Rb\n0.322392 0.713242 0.831201 U\n0.677607 0.286759 0.168800 U\n0.618719 0.131231 0.830651 Si\n0.700325 0.250321 0.482713 Si\n0.964935 0.325113 0.711020 Si\n0.678043 0.861163 0.380325 Si\n0.381280 0.868769 0.169350 Si\n0.321956 0.138838 0.619676 Si\n0.299673 0.749679 0.517288 Si\n0.035064 0.674888 0.288981 Si\n0.629269 0.264047 0.968452 O\n0.504570 0.568528 0.800095 O\n0.146327 0.865764 0.864746 O\n0.168278 0.628426 0.390694 O\n0.853672 0.134236 0.135254 O\n0.534438 0.797835 0.483667 O\n0.728184 0.345767 0.375958 O\n0.830182 0.168854 0.760237 O\n0.440614 0.167287 0.749538 O\n0.145276 0.244889 0.635486 O\n0.781505 0.067125 0.439844 O\n0.577184 0.927825 0.826884 O\n0.831720 0.371575 0.609306 O\n0.854722 0.755112 0.364515 O\n0.465560 0.202166 0.516334 O\n0.370729 0.735953 0.031549 O\n0.495429 0.431473 0.199905 O\n0.169816 0.831146 0.239764 O\n0.948795 0.505018 0.176193 O\n0.422815 0.072176 0.173116 O\n0.559384 0.832713 0.250462 O\n0.051204 0.494983 0.823808 O\n0.218493 0.932876 0.560156 O\n0.271815 0.654233 0.624043 O\n",
"nsites": 38,
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"elements": [
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"O"
],
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"density": 3.973409363886416,
"density_atomic": 0.06373764463605174,
"volume": 596.1939795074601,
"volume_molar": 9.448326486469684,
"formula_full": "Rb4 U2 Si8 O24",
"formula_reduced": "Rb2U(SiO3)4",
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},
{
"id": "jvasp-98503",
"created_at": "2022-09-04T14:38:18.084073Z",
"updated_at": "2022-09-04T14:38:18.084091Z",
"structure_string": "Nb4 Pd6 Se16\n1.0\n3.606989 0.000000 0.000000\n0.000000 10.770274 0.000000\n0.000000 -0.000000 15.330467\nNb Pd Se\n4 6 16\ndirect\n0.500000 0.786288 0.883615 Nb\n0.500000 0.213712 0.116385 Nb\n0.500000 0.286288 0.616386 Nb\n0.500000 0.713712 0.383615 Nb\n0.000000 0.878787 0.283628 Pd\n0.000000 0.378787 0.216373 Pd\n0.000000 0.121213 0.716373 Pd\n0.000000 0.500000 0.500000 Pd\n0.000000 0.000000 0.000000 Pd\n0.000000 0.621212 0.783628 Pd\n0.500000 0.751372 0.716466 Se\n0.500000 0.455213 0.116291 Se\n0.500000 0.544786 0.883709 Se\n0.500000 0.748628 0.216466 Se\n0.500000 0.251372 0.783534 Se\n0.500000 0.248628 0.283534 Se\n0.000000 0.543304 0.342677 Se\n0.000000 0.268779 0.490336 Se\n0.000000 0.043304 0.157323 Se\n0.000000 0.956696 0.842677 Se\n0.000000 0.731220 0.509664 Se\n0.500000 0.044786 0.616292 Se\n0.000000 0.231220 0.990336 Se\n0.000000 0.768779 0.009664 Se\n0.000000 0.456696 0.657323 Se\n0.500000 0.955213 0.383709 Se\n",
"nsites": 26,
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],
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"density_atomic": 0.043656246542724715,
"volume": 595.561965560983,
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"formula_full": "Nb4 Pd6 Se16",
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"formula_anonymous": "A2B3C8",
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},
{
"id": "jvasp-57109",
"created_at": "2022-09-04T14:38:31.468371Z",
"updated_at": "2022-09-04T14:38:31.468407Z",
"structure_string": "K4 Ge4 Pb2 S12\n1.0\n8.546502 -0.006100 -0.046185\n-3.515192 7.790132 -0.046185\n-0.000408 -0.000631 8.941315\nK Ge Pb S\n4 4 2 12\ndirect\n0.457949 0.735721 0.517154 K\n0.542051 0.264279 0.482847 K\n0.264278 0.542051 0.982847 K\n0.735721 0.457949 0.017154 K\n0.342605 0.025495 0.061866 Ge\n0.657395 0.974505 0.938134 Ge\n0.974505 0.657395 0.438134 Ge\n0.025494 0.342605 0.561866 Ge\n0.981005 0.018995 0.250000 Pb\n0.018995 0.981005 0.750000 Pb\n0.918156 0.523187 0.667629 S\n0.523187 0.918156 0.167629 S\n0.083821 0.816986 0.039030 S\n0.916178 0.183014 0.960971 S\n0.816985 0.083821 0.539029 S\n0.258536 0.347505 0.668232 S\n0.081844 0.476813 0.332372 S\n0.652495 0.741464 0.831768 S\n0.476813 0.081844 0.832371 S\n0.183014 0.916179 0.460971 S\n0.741464 0.652495 0.331768 S\n0.347505 0.258536 0.168233 S\n",
"nsites": 22,
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],
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"density": 3.4771162595903227,
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"volume": 595.1060322127603,
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"formula_full": "K4 Ge4 Pb2 S12",
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},
{
"id": "jvasp-12524",
"created_at": "2022-09-04T14:36:47.411378Z",
"updated_at": "2022-09-04T14:36:47.411394Z",
"structure_string": "In2 Sn4 I10\n1.0\n7.909456 0.000000 -3.960517\n-1.983157 7.656801 -3.960517\n-0.017959 -0.023204 9.842289\nIn Sn I\n2 4 10\ndirect\n0.250000 0.250000 0.500000 In\n0.750000 0.750000 0.500000 In\n0.168439 0.668439 -0.000000 Sn\n0.331561 0.168439 -0.000000 Sn\n0.668439 0.831561 -0.000001 Sn\n0.831561 0.331561 -0.000000 Sn\n0.000000 0.000000 0.000000 I\n0.500000 0.500000 -0.000000 I\n0.515623 0.015623 0.716791 I\n0.701168 0.515623 0.716790 I\n0.015623 0.201168 0.716791 I\n0.298832 0.484378 0.283209 I\n0.984378 0.798832 0.283209 I\n0.798832 0.298832 0.283209 I\n0.484377 0.984377 0.283209 I\n0.201168 0.701168 0.716790 I\n",
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"elements": [
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"volume": 594.606415406986,
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"formula_full": "In2 Sn4 I10",
"formula_reduced": "InSn2I5",
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},
{
"id": "jvasp-22903",
"created_at": "2022-09-04T14:38:29.279037Z",
"updated_at": "2022-09-04T14:38:29.279062Z",
"structure_string": "K4 Hf4 Pd4 F28\n1.0\n6.267455 0.000000 0.000000\n-0.000000 8.917744 0.000000\n0.000000 0.000000 10.636579\nK Hf Pd F\n4 4 4 28\ndirect\n0.266078 0.000000 0.250000 K\n0.233922 0.500000 0.250000 K\n0.733923 0.000000 0.750000 K\n0.766078 0.500000 0.750000 K\n0.750001 0.750000 0.404927 Hf\n0.750001 0.250000 0.095073 Hf\n0.250000 0.250000 0.595073 Hf\n0.250000 0.750000 0.904927 Hf\n0.750001 0.750000 0.089087 Pd\n0.750001 0.250000 0.410913 Pd\n0.250000 0.750000 0.589087 Pd\n0.250000 0.250000 0.910913 Pd\n0.418849 0.677335 0.736898 F\n0.581152 0.677335 0.236898 F\n0.081151 0.177336 0.763102 F\n0.081151 0.822664 0.736898 F\n0.418849 0.322664 0.763102 F\n0.390620 0.053586 0.612680 F\n0.609381 0.946413 0.387320 F\n0.890621 0.553586 0.387320 F\n0.890621 0.446413 0.112680 F\n0.390620 0.946413 0.887320 F\n0.581152 0.322664 0.263102 F\n0.609381 0.053586 0.112680 F\n0.918849 0.177336 0.263102 F\n0.439651 0.664695 0.451502 F\n0.750001 0.750000 0.589983 F\n0.750001 0.250000 0.910018 F\n0.250000 0.250000 0.410018 F\n0.250000 0.750000 0.089982 F\n0.109380 0.446413 0.612680 F\n0.439651 0.335305 0.048498 F\n0.060349 0.164695 0.048498 F\n0.060349 0.835304 0.451502 F\n0.560350 0.335305 0.548498 F\n0.560350 0.664695 0.951502 F\n0.939651 0.835304 0.951502 F\n0.939651 0.164695 0.548498 F\n0.918849 0.822664 0.236898 F\n0.109380 0.553586 0.887320 F\n",
"nsites": 40,
"nelements": 4,
"elements": [
"K",
"Hf",
"Pd",
"F"
],
"chemical_system": "F-Hf-K-Pd",
"density": 5.105924148042577,
"density_atomic": 0.06728399902944669,
"volume": 594.494985092876,
"volume_molar": 8.950331203358502,
"formula_full": "K4 Hf4 Pd4 F28",
"formula_reduced": "KHfPdF7",
"formula_anonymous": "ABCD7",
"energy_above_hull": 0.3240028677500007,
"spacegroup": 52
},
{
"id": "jvasp-12925",
"created_at": "2022-09-04T14:37:12.118024Z",
"updated_at": "2022-09-04T14:37:12.118050Z",
"structure_string": "Rb4 Sn2 Te10\n1.0\n7.823149 -0.000000 -3.826935\n-1.872063 7.595857 -3.826935\n0.027198 0.034715 9.965240\nRb Sn Te\n4 2 10\ndirect\n0.246625 0.246625 0.493251 Rb\n0.746625 0.746625 0.493252 Rb\n0.996642 0.996641 0.993283 Rb\n0.496642 0.496641 0.993283 Rb\n0.746662 0.246662 0.493325 Sn\n0.246663 0.746662 0.493325 Sn\n0.454081 0.954080 0.266393 Te\n0.312313 0.454080 0.266393 Te\n0.954081 0.812313 0.266394 Te\n0.812313 0.312312 0.266393 Te\n0.180908 0.680907 0.720141 Te\n0.039233 0.180907 0.720140 Te\n0.680908 0.539233 0.720141 Te\n0.539233 0.039233 0.720140 Te\n0.496639 0.996639 0.993279 Te\n0.996639 0.496638 0.993278 Te\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Rb",
"Sn",
"Te"
],
"chemical_system": "Rb-Sn-Te",
"density": 5.184337178948586,
"density_atomic": 0.02692477234816308,
"volume": 594.2482927285209,
"volume_molar": 22.366542907505234,
"formula_full": "Rb4 Sn2 Te10",
"formula_reduced": "Rb2SnTe5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 0.3799638166666667,
"spacegroup": 140
}
]
}