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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-structure_string&page=1291",
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"results": [
{
"id": "jvasp-85676",
"created_at": "2022-09-04T14:35:49.599601Z",
"updated_at": "2022-09-04T14:35:49.599619Z",
"structure_string": "Rb6 Mn2 H10\n1.0\n-3.926057 3.926057 5.991838\n3.926057 -3.926057 5.991838\n3.926057 3.926057 -5.991838\nRb Mn H\n6 2 10\ndirect\n0.250000 0.250000 0.000000 Rb\n0.750000 0.750000 0.000000 Rb\n0.181146 0.681146 0.862291 Rb\n0.818855 0.318854 0.137710 Rb\n0.681146 0.818855 0.500000 Rb\n0.318855 0.181146 0.500000 Rb\n0.250000 0.750000 0.500000 Mn\n0.750000 0.250000 0.500000 Mn\n0.286898 0.534630 0.500000 H\n0.034630 0.786898 0.500000 H\n0.786898 0.286898 0.752269 H\n0.534630 0.034630 0.247732 H\n0.465370 0.965371 0.752269 H\n0.965371 0.213102 0.500000 H\n0.213102 0.713102 0.247732 H\n0.500000 0.500000 0.000000 H\n0.713102 0.465370 0.500000 H\n0.000000 0.000000 0.000000 H\n",
"nsites": 18,
"nelements": 3,
"elements": [
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"Mn",
"H"
],
"chemical_system": "H-Mn-Rb",
"density": 2.844175762951209,
"density_atomic": 0.0487235865997403,
"volume": 369.4309318373525,
"volume_molar": 12.3598059590139,
"formula_full": "Rb6 Mn2 H10",
"formula_reduced": "Rb3MnH5",
"formula_anonymous": "AB3C5",
"energy_above_hull": 1.8628430268199232,
"spacegroup": 140
},
{
"id": "jvasp-57550",
"created_at": "2022-09-04T14:37:10.588444Z",
"updated_at": "2022-09-04T14:37:10.588461Z",
"structure_string": "Rb6 Mn2 F14\n1.0\n7.989778 -0.000000 -0.000000\n-0.000000 7.989778 -0.000000\n0.000000 0.000000 5.913390\nRb Mn F\n6 2 14\ndirect\n0.188547 0.688547 0.500000 Rb\n0.688547 0.811453 0.500000 Rb\n0.311453 0.188547 0.500000 Rb\n0.811453 0.311453 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Rb\n0.000000 0.500000 0.000000 Mn\n0.500000 0.000000 0.000000 Mn\n0.338159 0.161842 0.000000 F\n0.838159 0.338159 0.000000 F\n0.500000 0.500000 0.500000 F\n0.000000 0.000000 0.500000 F\n0.613026 0.113026 0.221772 F\n0.113026 0.386974 0.221772 F\n0.113026 0.386974 0.778228 F\n0.386974 0.886975 0.221772 F\n0.886975 0.613026 0.778228 F\n0.661842 0.838159 0.000000 F\n0.613026 0.113026 0.778228 F\n0.386974 0.886975 0.778228 F\n0.886975 0.613026 0.221772 F\n0.161842 0.661842 0.000000 F\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Rb",
"Mn",
"F"
],
"chemical_system": "F-Mn-Rb",
"density": 3.9091203731570734,
"density_atomic": 0.05827962296807981,
"volume": 377.4904311246071,
"volume_molar": 10.333184144479404,
"formula_full": "Rb6 Mn2 F14",
"formula_reduced": "Rb3MnF7",
"formula_anonymous": "AB3C7",
"energy_above_hull": 0.0,
"spacegroup": 127
},
{
"id": "jvasp-116598",
"created_at": "2022-09-04T14:38:32.384343Z",
"updated_at": "2022-09-04T14:38:32.384371Z",
"structure_string": "Rb6 Mn2 Br10\n1.0\n8.109844 0.060829 -5.705495\n-2.152142 7.819307 -5.705495\n-0.045990 -0.060829 9.915651\nRb Mn Br\n6 2 10\ndirect\n0.250000 0.250000 -0.000000 Rb\n0.750000 0.750000 -0.000001 Rb\n0.154299 0.654300 0.808597 Rb\n0.845700 0.345701 0.191402 Rb\n0.654299 0.845701 0.499999 Rb\n0.345701 0.154299 0.500000 Rb\n0.750000 0.250000 0.499999 Mn\n0.250000 0.750000 0.500000 Mn\n-0.002473 0.803264 0.500000 Br\n0.696736 0.502473 0.499999 Br\n0.502473 0.002473 0.805736 Br\n0.002473 0.196736 0.500000 Br\n0.803263 0.303264 0.805736 Br\n0.497526 -0.002473 0.194263 Br\n0.196736 0.696737 0.194263 Br\n0.000000 0.000000 0.000000 Br\n0.303264 0.497527 0.500000 Br\n0.500000 0.500000 -0.000000 Br\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Rb",
"Mn",
"Br"
],
"chemical_system": "Br-Mn-Rb",
"density": 3.7804341826310175,
"density_atomic": 0.028823726838397283,
"volume": 624.485518507671,
"volume_molar": 20.89299830574878,
"formula_full": "Rb6 Mn2 Br10",
"formula_reduced": "Rb3MnBr5",
"formula_anonymous": "AB3C5",
"energy_above_hull": 0.0,
"spacegroup": 140
},
{
"id": "jvasp-23961",
"created_at": "2022-09-04T14:37:41.485986Z",
"updated_at": "2022-09-04T14:37:41.486008Z",
"structure_string": "Rb6 Mg6 H18\n1.0\n2.945506 -5.101767 -0.000000\n2.945506 5.101767 0.000000\n0.000000 -0.000000 14.293744\nRb Mg H\n6 6 18\ndirect\n0.000000 0.000000 0.250000 Rb\n0.000000 0.000000 0.750000 Rb\n0.666668 0.333333 0.596035 Rb\n0.333333 0.666668 0.096036 Rb\n0.333333 0.666668 0.403964 Rb\n0.666668 0.333333 0.903964 Rb\n0.000000 0.000000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.666668 0.333333 0.346166 Mg\n0.333333 0.666668 0.653834 Mg\n0.666668 0.333333 0.153834 Mg\n0.333333 0.666668 0.846166 Mg\n0.166069 0.833932 0.579846 H\n0.833932 0.166069 0.420154 H\n0.166069 0.833932 0.920154 H\n0.667862 0.833932 0.920154 H\n0.833932 0.667862 0.420154 H\n0.667862 0.833932 0.579846 H\n0.166069 0.332139 0.920154 H\n0.833932 0.166069 0.079846 H\n0.477255 0.522746 0.750000 H\n0.332139 0.166069 0.079846 H\n0.477255 0.954511 0.750000 H\n0.954511 0.477255 0.250000 H\n0.522746 0.477255 0.250000 H\n0.332139 0.166069 0.420154 H\n0.045490 0.522746 0.750000 H\n0.522746 0.045490 0.250000 H\n0.833932 0.667862 0.079846 H\n0.166069 0.332139 0.579846 H\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Rb",
"Mg",
"H"
],
"chemical_system": "H-Mg-Rb",
"density": 2.616013052296296,
"density_atomic": 0.06983364765881184,
"volume": 429.59233844652965,
"volume_molar": 8.623551771808538,
"formula_full": "Rb6 Mg6 H18",
"formula_reduced": "RbMgH3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.1897498099999997,
"spacegroup": 194
},
{
"id": "jvasp-87240",
"created_at": "2022-09-04T14:35:51.489589Z",
"updated_at": "2022-09-04T14:35:51.489617Z",
"structure_string": "Rb6 Mg6 F18\n1.0\n6.854623 0.000000 -0.000000\n-3.427312 5.936278 0.000000\n-0.000000 -0.000000 14.191360\nRb Mg F\n6 6 18\ndirect\n0.333333 0.666667 0.139453 Rb\n0.333333 0.666667 0.360547 Rb\n0.666667 0.333333 0.860547 Rb\n0.666667 0.333333 0.639453 Rb\n0.000000 0.000000 0.250000 Rb\n0.000000 0.000000 0.750000 Rb\n0.000000 0.000000 0.000000 Mg\n0.333333 0.666667 0.842112 Mg\n0.000000 0.000000 0.500000 Mg\n0.666667 0.333333 0.157888 Mg\n0.333333 0.666667 0.657888 Mg\n0.666667 0.333333 0.342112 Mg\n0.543732 0.087465 0.250000 F\n0.912534 0.456267 0.250000 F\n0.456267 0.543733 0.750000 F\n0.087466 0.543733 0.750000 F\n0.865498 0.134502 0.915096 F\n0.134502 0.269005 0.084904 F\n0.269005 0.134502 0.584904 F\n0.134502 0.269005 0.415096 F\n0.730995 0.865498 0.415096 F\n0.456268 0.912535 0.750000 F\n0.865498 0.134502 0.584904 F\n0.134502 0.865498 0.084904 F\n0.269005 0.134502 0.915096 F\n0.865498 0.730995 0.915096 F\n0.730995 0.865498 0.084904 F\n0.543733 0.456267 0.250000 F\n0.134502 0.865498 0.415096 F\n0.865498 0.730995 0.584904 F\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Rb",
"Mg",
"F"
],
"chemical_system": "F-Mg-Rb",
"density": 2.8773405829189023,
"density_atomic": 0.051951660430401225,
"volume": 577.4598877391128,
"volume_molar": 11.591815757395784,
"formula_full": "Rb6 Mg6 F18",
"formula_reduced": "RbMgF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.127516,
"spacegroup": 194
},
{
"id": "jvasp-26039",
"created_at": "2022-09-04T14:38:03.369496Z",
"updated_at": "2022-09-04T14:38:03.369530Z",
"structure_string": "Rb6 Mg6 F18\n1.0\n2.932087 -5.078524 0.000000\n2.932087 5.078524 0.000000\n-0.000000 0.000000 14.293707\nRb Mg F\n6 6 18\ndirect\n0.000000 0.000000 0.250000 Rb\n0.000000 0.000000 0.750000 Rb\n0.333334 0.666667 0.098103 Rb\n0.666667 0.333334 0.598103 Rb\n0.666667 0.333334 0.901898 Rb\n0.333334 0.666667 0.401897 Rb\n0.333334 0.666667 0.652568 Mg\n0.666667 0.333334 0.152568 Mg\n0.666667 0.333334 0.347432 Mg\n0.000000 0.000000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.333334 0.666667 0.847432 Mg\n0.331841 0.165921 0.079702 F\n0.331841 0.165921 0.420298 F\n0.668160 0.834081 0.920299 F\n0.165921 0.331841 0.579702 F\n0.165921 0.834080 0.920299 F\n0.165921 0.331841 0.920299 F\n0.834080 0.165921 0.079702 F\n0.668160 0.834081 0.579702 F\n0.039301 0.519650 0.750000 F\n0.834081 0.668160 0.079702 F\n0.480351 0.960701 0.750000 F\n0.519650 0.480351 0.250000 F\n0.960701 0.480351 0.250000 F\n0.834081 0.668160 0.420298 F\n0.480351 0.519650 0.750000 F\n0.519650 0.039301 0.250000 F\n0.165921 0.834080 0.579702 F\n0.834080 0.165921 0.420298 F\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Rb",
"Mg",
"F"
],
"chemical_system": "F-Mg-Rb",
"density": 3.90322746085756,
"density_atomic": 0.07047450302994057,
"volume": 425.6858680827408,
"volume_molar": 8.545134057123521,
"formula_full": "Rb6 Mg6 F18",
"formula_reduced": "RbMgF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0014400000000001,
"spacegroup": 194
},
{
"id": "jvasp-96598",
"created_at": "2022-09-04T14:36:03.477371Z",
"updated_at": "2022-09-04T14:36:03.477390Z",
"structure_string": "Rb6 Mg6 Cl18\n1.0\n7.072239 -0.000000 -0.000000\n-3.536119 6.124739 0.000000\n0.000000 0.000000 17.574925\nRb Mg Cl\n6 6 18\ndirect\n0.666667 0.333333 0.587339 Rb\n0.666667 0.333333 0.912661 Rb\n0.333333 0.666667 0.412661 Rb\n0.000000 0.000000 0.250000 Rb\n0.000000 0.000000 0.750000 Rb\n0.333333 0.666667 0.087339 Rb\n0.000000 0.000000 0.000000 Mg\n0.666667 0.333333 0.160697 Mg\n0.333333 0.666667 0.839302 Mg\n0.666667 0.333333 0.339302 Mg\n0.333333 0.666667 0.660697 Mg\n0.000000 0.000000 0.500000 Mg\n0.834000 0.667999 0.081876 Cl\n0.987592 0.493795 0.250000 Cl\n0.834000 0.667999 0.418124 Cl\n0.493795 0.987592 0.750000 Cl\n0.667999 0.834000 0.581876 Cl\n0.166000 0.834000 0.918124 Cl\n0.166000 0.332001 0.918124 Cl\n0.166000 0.834000 0.581876 Cl\n0.332001 0.166000 0.418124 Cl\n0.332001 0.166000 0.081876 Cl\n0.834000 0.166000 0.081876 Cl\n0.667999 0.834000 0.918124 Cl\n0.506205 0.493795 0.250000 Cl\n0.493795 0.506205 0.750000 Cl\n0.506205 0.012409 0.250000 Cl\n0.834000 0.166000 0.418124 Cl\n0.166000 0.332001 0.581876 Cl\n0.012409 0.506205 0.750000 Cl\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Rb",
"Mg",
"Cl"
],
"chemical_system": "Cl-Mg-Rb",
"density": 2.8286617813160686,
"density_atomic": 0.039407896976299865,
"volume": 761.2687380410624,
"volume_molar": 15.281558322236148,
"formula_full": "Rb6 Mg6 Cl18",
"formula_reduced": "RbMgCl3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-85680",
"created_at": "2022-09-04T14:36:02.366698Z",
"updated_at": "2022-09-04T14:36:02.366730Z",
"structure_string": "Rb6 Mg2 H10\n1.0\n-3.921288 3.921288 6.136156\n3.921288 -3.921288 6.136156\n3.921288 3.921288 -6.136156\nRb Mg H\n6 2 10\ndirect\n0.179158 0.679158 0.858316 Rb\n0.820843 0.320843 0.141685 Rb\n0.679158 0.820843 0.500000 Rb\n0.320843 0.179158 0.500000 Rb\n0.250000 0.250000 0.000000 Rb\n0.750000 0.750000 0.000000 Rb\n0.250000 0.750000 0.500000 Mg\n0.750000 0.250000 0.500000 Mg\n0.290198 0.525900 0.500000 H\n0.025900 0.790199 0.500000 H\n0.790199 0.290198 0.764299 H\n0.525900 0.025900 0.235702 H\n0.474100 0.974101 0.764299 H\n0.974101 0.209802 0.500000 H\n0.209802 0.709802 0.235702 H\n0.500000 0.500000 0.000000 H\n0.709802 0.474100 0.500000 H\n0.000000 0.000000 0.000000 H\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Rb",
"Mg",
"H"
],
"chemical_system": "H-Mg-Rb",
"density": 2.5144822850705517,
"density_atomic": 0.04769343921449987,
"volume": 377.41040060133884,
"volume_molar": 12.62676975949584,
"formula_full": "Rb6 Mg2 H10",
"formula_reduced": "Rb3MgH5",
"formula_anonymous": "AB3C5",
"energy_above_hull": 1.1734454500000002,
"spacegroup": 140
},
{
"id": "jvasp-109301",
"created_at": "2022-09-04T14:38:26.759398Z",
"updated_at": "2022-09-04T14:38:26.759423Z",
"structure_string": "Rb6 Mg2\n1.0\n8.925743 -0.000000 0.000000\n-4.462871 7.729920 0.000000\n-0.000000 -0.000000 7.009708\nRb Mg\n6 2\ndirect\n0.175518 0.351036 0.250000 Rb\n0.175518 0.824482 0.250000 Rb\n0.648963 0.824482 0.250000 Rb\n0.351036 0.175518 0.750000 Rb\n0.824482 0.175518 0.750000 Rb\n0.824482 0.648964 0.750000 Rb\n0.666667 0.333333 0.250000 Mg\n0.333333 0.666667 0.750000 Mg\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Rb",
"Mg"
],
"chemical_system": "Mg-Rb",
"density": 1.9275923653566154,
"density_atomic": 0.01654133977620968,
"volume": 483.6367614856611,
"volume_molar": 36.40660817971497,
"formula_full": "Rb6 Mg2",
"formula_reduced": "Rb3Mg",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-12421",
"created_at": "2022-09-04T14:37:11.413010Z",
"updated_at": "2022-09-04T14:37:11.413030Z",
"structure_string": "Rb6 In2 S6\n1.0\n7.849482 0.017689 -0.857857\n-1.236694 7.373170 -3.164826\n0.012967 0.034007 8.118365\nRb In S\n6 2 6\ndirect\n0.000000 0.253611 0.746390 Rb\n0.500000 0.323839 0.676161 Rb\n0.353313 0.111586 0.111586 Rb\n0.500000 0.676161 0.323839 Rb\n0.000001 0.746390 0.253610 Rb\n0.646688 0.888415 0.888415 Rb\n0.148366 0.678191 0.678191 In\n0.851635 0.321809 0.321809 In\n0.722075 0.047949 0.347995 S\n0.819890 0.600890 0.600890 S\n0.180110 0.399110 0.399110 S\n0.277926 0.952052 0.652005 S\n0.277926 0.652006 0.952052 S\n0.722075 0.347995 0.047948 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Rb",
"In",
"S"
],
"chemical_system": "In-Rb-S",
"density": 3.2958465442531217,
"density_atomic": 0.02972432348072864,
"volume": 470.99473968101273,
"volume_molar": 20.25997585413297,
"formula_full": "Rb6 In2 S6",
"formula_reduced": "Rb3InS3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 0.2217628528571429,
"spacegroup": 12
},
{
"id": "jvasp-50228",
"created_at": "2022-09-04T14:37:02.250295Z",
"updated_at": "2022-09-04T14:37:02.250319Z",
"structure_string": "Rb6 In2 O6\n1.0\n3.846407 5.923820 0.093028\n-3.846407 5.923820 -0.093028\n-1.484320 0.000000 6.804663\nRb In O\n6 2 6\ndirect\n0.367695 0.632305 0.647548 Rb\n0.808533 0.808533 0.500000 Rb\n0.191467 0.191467 0.500000 Rb\n0.259241 0.259241 0.000000 Rb\n0.740759 0.740759 -0.000000 Rb\n0.632305 0.367695 0.352451 Rb\n0.180448 0.819552 0.146365 In\n0.819551 0.180448 0.853634 In\n0.095391 0.904609 0.833702 O\n0.161070 0.552301 0.271161 O\n0.447699 0.838930 0.271161 O\n0.838930 0.447699 0.728839 O\n0.552301 0.161070 0.728839 O\n0.904609 0.095391 0.166298 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Rb",
"In",
"O"
],
"chemical_system": "In-O-Rb",
"density": 4.466237195469451,
"density_atomic": 0.04491063000768958,
"volume": 311.7302072494402,
"volume_molar": 13.409165622857866,
"formula_full": "Rb6 In2 O6",
"formula_reduced": "Rb3InO3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 0.4218672100000001,
"spacegroup": 12
},
{
"id": "jvasp-50937",
"created_at": "2022-09-04T14:35:52.860035Z",
"updated_at": "2022-09-04T14:35:52.860063Z",
"structure_string": "Rb6 Ho2 O6\n1.0\n3.852630 6.081893 0.136631\n-3.852630 6.081893 -0.136631\n-1.413868 0.000000 7.019312\nRb Ho O\n6 2 6\ndirect\n0.360934 0.639065 0.638951 Rb\n0.799384 0.799385 0.500000 Rb\n0.200615 0.200615 0.500000 Rb\n0.259000 0.259000 -0.000000 Rb\n0.741000 0.741000 0.000000 Rb\n0.639065 0.360935 0.361048 Rb\n0.180510 0.819489 0.146340 Ho\n0.819489 0.180511 0.853660 Ho\n0.097841 0.902159 0.837491 O\n0.169111 0.548601 0.268002 O\n0.451399 0.830889 0.268002 O\n0.548601 0.169111 0.731997 O\n0.830889 0.451399 0.731997 O\n0.902158 0.097841 0.162509 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Rb",
"Ho",
"O"
],
"chemical_system": "Ho-O-Rb",
"density": 4.704865855775973,
"density_atomic": 0.04225869639366213,
"volume": 331.29275616035545,
"volume_molar": 14.25065435975727,
"formula_full": "Rb6 Ho2 O6",
"formula_reduced": "Rb3HoO3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 0.6450008666666667,
"spacegroup": 12
}
]
}