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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_full&page=1290",
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"results": [
{
"id": "jvasp-59088",
"created_at": "2022-09-04T14:38:36.927894Z",
"updated_at": "2022-09-04T14:38:36.927915Z",
"structure_string": "Rb6 Os4 Br18\n1.0\n3.702485 -6.412892 -0.000000\n3.702485 6.412892 0.000000\n-0.000000 -0.000000 17.878576\nRb Os Br\n6 4 18\ndirect\n0.333332 0.666666 0.430482 Rb\n0.666666 0.333332 0.930483 Rb\n0.666666 0.333332 0.569518 Rb\n0.333332 0.666666 0.069518 Rb\n0.000000 0.000000 0.750000 Rb\n0.000000 0.000000 0.250000 Rb\n0.666666 0.333332 0.325879 Os\n0.333332 0.666666 0.825880 Os\n0.666666 0.333332 0.174121 Os\n0.333332 0.666666 0.674121 Os\n0.652997 0.826497 0.592142 Br\n0.173501 0.826498 0.592142 Br\n0.826497 0.652997 0.407859 Br\n0.347002 0.173501 0.407859 Br\n0.652997 0.826497 0.907859 Br\n0.173501 0.347002 0.907859 Br\n0.826498 0.173501 0.407859 Br\n0.347002 0.173501 0.092141 Br\n-0.006462 0.496769 0.750000 Br\n0.826497 0.652997 0.092141 Br\n0.496769 0.503230 0.250000 Br\n0.503230 0.006462 0.750000 Br\n0.173501 0.347002 0.592142 Br\n0.006462 0.503230 0.250000 Br\n0.496769 -0.006462 0.250000 Br\n0.503230 0.496769 0.750000 Br\n0.826498 0.173501 0.092141 Br\n0.173501 0.826498 0.907859 Br\n",
"nsites": 28,
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"elements": [
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"Os",
"Br"
],
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"density_atomic": 0.032979789320561996,
"volume": 849.0048170969596,
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"formula_full": "Rb6 Os4 Br18",
"formula_reduced": "Rb3Os2Br9",
"formula_anonymous": "A2B3C9",
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"spacegroup": 194
},
{
"id": "jvasp-25887",
"created_at": "2022-09-04T14:37:54.156495Z",
"updated_at": "2022-09-04T14:37:54.156515Z",
"structure_string": "Rb6 Ni6 F18\n1.0\n2.937747 -5.088326 -0.000000\n2.937747 5.088326 0.000000\n-0.000000 -0.000000 14.402744\nRb Ni F\n6 6 18\ndirect\n0.666668 0.333333 0.407709 Rb\n0.333333 0.666668 0.907709 Rb\n0.333333 0.666668 0.592290 Rb\n0.666668 0.333333 0.092291 Rb\n0.000000 0.000000 0.750000 Rb\n0.000000 0.000000 0.250000 Rb\n0.000000 0.000000 0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n0.666668 0.333333 0.844333 Ni\n0.333333 0.666668 0.155666 Ni\n0.666668 0.333333 0.655666 Ni\n0.333333 0.666668 0.344333 Ni\n0.834752 0.669503 0.580338 F\n0.482997 0.965992 0.250000 F\n0.517005 0.034009 0.750000 F\n0.965992 0.482997 0.750000 F\n0.482997 0.517005 0.250000 F\n0.165249 0.834752 0.080338 F\n0.330499 0.165249 0.580338 F\n0.165249 0.330499 0.080338 F\n0.165249 0.330499 0.419661 F\n0.834752 0.165249 0.919661 F\n0.330499 0.165249 0.919661 F\n0.834752 0.165249 0.580338 F\n0.834752 0.669503 0.919661 F\n0.034009 0.517005 0.250000 F\n0.165249 0.834752 0.419661 F\n0.669503 0.834752 0.419661 F\n0.669503 0.834752 0.080338 F\n0.517005 0.482997 0.750000 F\n",
"nsites": 30,
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"elements": [
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"Ni",
"F"
],
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"density": 4.654463904441579,
"density_atomic": 0.06967174662818425,
"volume": 430.5906117166887,
"volume_molar": 8.643590912308017,
"formula_full": "Rb6 Ni6 F18",
"formula_reduced": "RbNiF3",
"formula_anonymous": "ABC3",
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"spacegroup": 194
},
{
"id": "jvasp-51985",
"created_at": "2022-09-04T14:37:36.782249Z",
"updated_at": "2022-09-04T14:37:36.782275Z",
"structure_string": "Rb6 Ni2 F14\n1.0\n7.932570 -0.000000 0.000000\n0.000000 7.932570 -0.000000\n-0.000000 -0.000000 5.883701\nRb Ni F\n6 2 14\ndirect\n0.187823 0.687823 0.500000 Rb\n0.687823 0.812177 0.500000 Rb\n0.312177 0.187823 0.500000 Rb\n0.812177 0.312177 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Rb\n0.000000 0.500000 0.000000 Ni\n0.500000 0.000000 0.000000 Ni\n0.338863 0.161137 0.000000 F\n0.838863 0.338863 0.000000 F\n0.500000 0.500000 0.500000 F\n0.000000 0.000000 0.500000 F\n0.612899 0.112899 0.219516 F\n0.112899 0.387101 0.219516 F\n0.112899 0.387101 0.780484 F\n0.387101 0.887101 0.219516 F\n0.887101 0.612899 0.780484 F\n0.661137 0.838863 0.000000 F\n0.612899 0.112899 0.780484 F\n0.387101 0.887101 0.780484 F\n0.887101 0.612899 0.219516 F\n0.161137 0.661137 0.000000 F\n",
"nsites": 22,
"nelements": 3,
"elements": [
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"Ni",
"F"
],
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"density": 4.019404194198394,
"density_atomic": 0.059421588843369635,
"volume": 370.23580870565695,
"volume_molar": 10.134600701899545,
"formula_full": "Rb6 Ni2 F14",
"formula_reduced": "Rb3NiF7",
"formula_anonymous": "AB3C7",
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"spacegroup": 127
},
{
"id": "jvasp-58999",
"created_at": "2022-09-04T14:38:35.832456Z",
"updated_at": "2022-09-04T14:38:35.832467Z",
"structure_string": "Rb6 Nb4 Br18\n1.0\n3.801969 -6.585204 0.000000\n3.801969 6.585204 -0.000000\n-0.000000 0.000000 17.758921\nRb Nb Br\n6 4 18\ndirect\n0.000000 0.000000 0.250000 Rb\n0.000000 0.000000 0.750000 Rb\n0.333333 0.666667 0.070671 Rb\n0.666667 0.333333 0.570671 Rb\n0.666667 0.333333 0.929329 Rb\n0.333333 0.666667 0.429329 Rb\n0.333333 0.666667 0.673491 Nb\n0.666667 0.333333 0.173491 Nb\n0.333333 0.666667 0.826509 Nb\n0.666667 0.333333 0.326509 Nb\n0.830607 0.169393 0.090485 Br\n0.830607 0.169393 0.409515 Br\n0.169393 0.830607 0.909515 Br\n0.661215 0.830608 0.590485 Br\n0.169393 0.338785 0.909515 Br\n0.661215 0.830608 0.909515 Br\n0.830608 0.661215 0.090485 Br\n0.169393 0.830607 0.590485 Br\n0.489740 0.510260 0.250000 Br\n0.338785 0.169393 0.090485 Br\n0.979479 0.489740 0.750000 Br\n0.489740 0.979479 0.250000 Br\n0.338785 0.169393 0.409515 Br\n0.510260 0.489740 0.750000 Br\n0.510260 0.020521 0.750000 Br\n0.020521 0.510260 0.250000 Br\n0.169393 0.338785 0.590485 Br\n0.830608 0.661215 0.409515 Br\n",
"nsites": 28,
"nelements": 3,
"elements": [
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"Nb",
"Br"
],
"chemical_system": "Br-Nb-Rb",
"density": 4.337291882466889,
"density_atomic": 0.031487171935364024,
"volume": 889.2510276082465,
"volume_molar": 19.125695925826808,
"formula_full": "Rb6 Nb4 Br18",
"formula_reduced": "Rb3Nb2Br9",
"formula_anonymous": "A2B3C9",
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},
{
"id": "jvasp-117179",
"created_at": "2022-09-04T14:38:49.684461Z",
"updated_at": "2022-09-04T14:38:49.684485Z",
"structure_string": "Rb6 Na4 Tl13\n1.0\n9.600564 -0.000000 -3.394312\n-4.800282 8.314333 -3.394312\n-0.000000 -0.000000 10.182936\nRb Na Tl\n6 4 13\ndirect\n0.830206 0.330207 0.500000 Rb\n0.169793 0.669793 0.500000 Rb\n0.330207 0.500000 0.830207 Rb\n0.669793 0.500000 0.169794 Rb\n0.500000 0.830206 0.330207 Rb\n0.500000 0.169793 0.669794 Rb\n0.500000 0.500000 0.500000 Na\n0.500000 0.000000 0.000000 Na\n0.000000 0.500000 0.000000 Na\n0.000000 0.000000 0.500000 Na\n0.098527 0.857068 0.241457 Tl\n0.384389 0.142932 0.241457 Tl\n0.615611 0.857068 0.758543 Tl\n0.241457 0.098527 0.857069 Tl\n0.758542 0.901473 0.142932 Tl\n0.142932 0.241457 0.384389 Tl\n0.758542 0.615611 0.857069 Tl\n0.857068 0.241457 0.098527 Tl\n0.142932 0.758543 0.901474 Tl\n0.901473 0.142932 0.758543 Tl\n0.857068 0.758543 0.615611 Tl\n0.241457 0.384389 0.142932 Tl\n0.000000 0.000000 0.000000 Tl\n",
"nsites": 23,
"nelements": 3,
"elements": [
"Rb",
"Na",
"Tl"
],
"chemical_system": "Na-Rb-Tl",
"density": 6.663500425640909,
"density_atomic": 0.028296365731669475,
"volume": 812.8252305651482,
"volume_molar": 21.282382398881637,
"formula_full": "Rb6 Na4 Tl13",
"formula_reduced": "Rb6Na4Tl13",
"formula_anonymous": "A4B6C13",
"energy_above_hull": 0.0,
"spacegroup": 204
},
{
"id": "jvasp-107216",
"created_at": "2022-09-04T14:36:59.873840Z",
"updated_at": "2022-09-04T14:36:59.873865Z",
"structure_string": "Rb6 Na2\n1.0\n9.308079 0.000000 0.000000\n-4.654040 8.061032 0.000000\n0.000000 -0.000000 7.403040\nRb Na\n6 2\ndirect\n0.827427 0.172573 0.750000 Rb\n0.345147 0.172573 0.750000 Rb\n0.827427 0.654853 0.750000 Rb\n0.172573 0.827426 0.250000 Rb\n0.654853 0.827426 0.250000 Rb\n0.172573 0.345146 0.250000 Rb\n0.666667 0.333333 0.250000 Na\n0.333333 0.666666 0.750000 Na\n",
"nsites": 8,
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"elements": [
"Rb",
"Na"
],
"chemical_system": "Na-Rb",
"density": 1.6704522872054788,
"density_atomic": 0.014402211529817622,
"volume": 555.4702472906469,
"volume_molar": 41.81400021470355,
"formula_full": "Rb6 Na2",
"formula_reduced": "Rb3Na",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-14047",
"created_at": "2022-09-04T14:37:07.249871Z",
"updated_at": "2022-09-04T14:37:07.249886Z",
"structure_string": "Rb6 Mo4 Cl18\n1.0\n3.538466 -6.128803 0.000000\n3.538466 6.128803 -0.000000\n0.000000 0.000000 17.249936\nRb Mo Cl\n6 4 18\ndirect\n0.000000 0.000000 0.750000 Rb\n0.000000 0.000000 0.250000 Rb\n0.333334 0.666668 0.928426 Rb\n0.666668 0.333334 0.428426 Rb\n0.333334 0.666668 0.571574 Rb\n0.666668 0.333334 0.071574 Rb\n0.333334 0.666668 0.330163 Mo\n0.666668 0.333334 0.830163 Mo\n0.333334 0.666668 0.169837 Mo\n0.666668 0.333334 0.669837 Mo\n0.656040 0.828020 0.409411 Cl\n0.502673 0.497328 0.250000 Cl\n0.497328 -0.005344 0.750000 Cl\n0.005345 0.502673 0.750000 Cl\n-0.005344 0.497328 0.250000 Cl\n0.502673 0.005345 0.250000 Cl\n0.497328 0.502673 0.750000 Cl\n0.343962 0.171981 0.909411 Cl\n0.656040 0.828020 0.090589 Cl\n0.171981 0.828020 0.090589 Cl\n0.171981 0.343962 0.090589 Cl\n0.171981 0.828020 0.409411 Cl\n0.828020 0.171981 0.909411 Cl\n0.343962 0.171981 0.590589 Cl\n0.828020 0.171981 0.590589 Cl\n0.828020 0.656040 0.590589 Cl\n0.828020 0.656040 0.909411 Cl\n0.171981 0.343962 0.409411 Cl\n",
"nsites": 28,
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"elements": [
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],
"chemical_system": "Cl-Mo-Rb",
"density": 3.4062012496582117,
"density_atomic": 0.03742397020381261,
"volume": 748.1835798690184,
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"formula_full": "Rb6 Mo4 Cl18",
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"formula_anonymous": "A2B3C9",
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},
{
"id": "jvasp-14231",
"created_at": "2022-09-04T14:37:07.351690Z",
"updated_at": "2022-09-04T14:37:07.351720Z",
"structure_string": "Rb6 Mo4 Br18\n1.0\n3.730938 -6.462175 -0.000000\n3.730938 6.462175 0.000000\n-0.000000 0.000000 18.103093\nRb Mo Br\n6 4 18\ndirect\n0.000000 0.000000 0.750000 Rb\n0.000000 0.000000 0.250000 Rb\n0.333333 0.666667 0.930835 Rb\n0.666667 0.333333 0.430835 Rb\n0.333333 0.666667 0.569165 Rb\n0.666667 0.333333 0.069165 Rb\n0.333333 0.666667 0.328299 Mo\n0.666667 0.333333 0.828299 Mo\n0.333333 0.666667 0.171701 Mo\n0.666667 0.333333 0.671701 Mo\n0.170852 0.341704 0.409828 Br\n-0.009108 0.495446 0.250000 Br\n0.495446 0.504554 0.750000 Br\n0.495446 -0.009108 0.750000 Br\n0.504554 0.009108 0.250000 Br\n0.504554 0.495446 0.250000 Br\n0.009108 0.504554 0.750000 Br\n0.829149 0.658297 0.909828 Br\n0.170852 0.341704 0.090171 Br\n0.658297 0.829149 0.090171 Br\n0.170852 0.829149 0.090171 Br\n0.658297 0.829149 0.409828 Br\n0.341704 0.170852 0.909828 Br\n0.829149 0.658297 0.590171 Br\n0.341704 0.170852 0.590171 Br\n0.829149 0.170852 0.590171 Br\n0.829149 0.170852 0.909828 Br\n0.170852 0.829149 0.409828 Br\n",
"nsites": 28,
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"elements": [
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"Mo",
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],
"chemical_system": "Br-Mo-Rb",
"density": 4.441467352608704,
"density_atomic": 0.03207587455085668,
"volume": 872.9302128802652,
"volume_molar": 18.774673627220434,
"formula_full": "Rb6 Mo4 Br18",
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},
{
"id": "jvasp-119309",
"created_at": "2022-09-04T14:38:50.494179Z",
"updated_at": "2022-09-04T14:38:50.494209Z",
"structure_string": "Rb6 Mn6 O12\n1.0\n6.530789 -0.012938 0.156892\n1.457740 7.393846 1.686464\n-0.036795 -0.004073 8.516458\nRb Mn O\n6 6 12\ndirect\n0.159044 0.112693 0.118504 Rb\n0.840960 0.887310 0.881501 Rb\n0.822217 0.874215 0.468743 Rb\n0.177781 0.125785 0.531256 Rb\n0.017332 0.456959 0.764753 Rb\n0.982668 0.543043 0.235240 Rb\n0.597753 0.320595 0.117749 Mn\n0.400050 0.675037 0.549944 Mn\n0.402246 0.679403 0.882251 Mn\n0.582931 0.318951 0.785078 Mn\n0.417070 0.681050 0.214922 Mn\n0.599950 0.324964 0.450057 Mn\n0.603274 0.629192 0.721958 O\n0.227313 0.779082 0.362542 O\n0.772690 0.220925 0.637456 O\n0.791146 0.237011 0.298593 O\n0.208852 0.762987 0.701407 O\n0.226132 0.770909 0.037020 O\n0.773874 0.229093 0.962980 O\n0.611191 0.615618 0.394841 O\n0.388808 0.384381 0.605158 O\n0.387992 0.381842 0.945011 O\n0.612011 0.618152 0.054988 O\n0.396725 0.370812 0.278042 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
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"Mn",
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],
"chemical_system": "Mn-O-Rb",
"density": 4.17438387992065,
"density_atomic": 0.058324942045139216,
"volume": 411.48776421287766,
"volume_molar": 10.325155154615167,
"formula_full": "Rb6 Mn6 O12",
"formula_reduced": "RbMnO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.5793510603448275,
"spacegroup": 2
},
{
"id": "jvasp-97004",
"created_at": "2022-09-04T14:36:11.091524Z",
"updated_at": "2022-09-04T14:36:11.091546Z",
"structure_string": "Rb6 Mn6 O12\n1.0\n6.541532 -0.000873 0.141080\n1.439716 7.394833 1.675665\n-0.017304 -0.003255 8.527656\nRb Mn O\n6 6 12\ndirect\n0.158407 0.113138 0.118500 Rb\n0.841594 0.886862 0.881501 Rb\n0.822737 0.873892 0.469489 Rb\n0.017450 0.456525 0.764726 Rb\n0.177264 0.126108 0.530512 Rb\n0.982551 0.543475 0.235275 Rb\n0.582860 0.319073 0.784851 Mn\n0.597617 0.320862 0.117515 Mn\n0.402384 0.679138 0.882487 Mn\n0.400211 0.674860 0.550143 Mn\n0.417141 0.680927 0.215150 Mn\n0.599790 0.325140 0.449859 Mn\n0.388918 0.384351 0.605041 O\n0.228000 0.779472 0.362784 O\n0.790492 0.236937 0.298398 O\n0.226687 0.770870 0.037246 O\n0.611083 0.615648 0.394960 O\n0.388106 0.381853 0.944818 O\n0.603218 0.628846 0.722180 O\n0.772001 0.220528 0.637217 O\n0.773314 0.229129 0.962755 O\n0.396783 0.371154 0.277821 O\n0.209509 0.763063 0.701604 O\n0.611895 0.618146 0.055183 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
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],
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"density": 4.163366256419147,
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"volume": 412.5766948959716,
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"formula_full": "Rb6 Mn6 O12",
"formula_reduced": "RbMnO2",
"formula_anonymous": "ABC2",
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"spacegroup": 2
},
{
"id": "jvasp-98112",
"created_at": "2022-09-04T14:36:07.262577Z",
"updated_at": "2022-09-04T14:36:07.262604Z",
"structure_string": "Rb6 Mn6 O12\n1.0\n6.531338 0.003870 0.141762\n1.443017 7.397739 1.676955\n-0.016142 0.000585 8.516512\nRb Mn O\n6 6 12\ndirect\n0.159001 0.112704 0.118466 Rb\n0.841000 0.887297 0.881533 Rb\n0.822210 0.874226 0.468786 Rb\n0.017337 0.456987 0.764751 Rb\n0.177791 0.125775 0.531212 Rb\n0.982663 0.543014 0.235248 Rb\n0.582927 0.318933 0.785034 Mn\n0.597734 0.320582 0.117705 Mn\n0.402267 0.679419 0.882294 Mn\n0.400072 0.675053 0.549980 Mn\n0.417074 0.681068 0.214965 Mn\n0.599928 0.324948 0.450019 Mn\n0.388803 0.384382 0.605152 O\n0.227334 0.779133 0.362619 O\n0.791111 0.236968 0.298524 O\n0.226120 0.770882 0.037103 O\n0.611198 0.615619 0.394847 O\n0.387979 0.381837 0.944994 O\n0.603286 0.629162 0.721980 O\n0.772667 0.220868 0.637380 O\n0.773881 0.229119 0.962895 O\n0.396715 0.370839 0.278019 O\n0.208890 0.763033 0.701475 O\n0.612022 0.618164 0.055005 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
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],
"chemical_system": "Mn-O-Rb",
"density": 4.174701819198807,
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"volume": 411.45642589737867,
"volume_molar": 10.324368805668849,
"formula_full": "Rb6 Mn6 O12",
"formula_reduced": "RbMnO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.5793285603448275,
"spacegroup": 2
},
{
"id": "jvasp-96838",
"created_at": "2022-09-04T14:36:32.386291Z",
"updated_at": "2022-09-04T14:36:32.386323Z",
"structure_string": "Rb6 Mn6 Cl18\n1.0\n7.112998 0.000000 -0.000000\n-3.556499 6.160037 0.000000\n-0.000000 -0.000000 17.699645\nRb Mn Cl\n6 6 18\ndirect\n0.000000 0.000000 0.250000 Rb\n0.333333 0.666667 0.414311 Rb\n0.666667 0.333333 0.585689 Rb\n0.000000 0.000000 0.750000 Rb\n0.666667 0.333333 0.914311 Rb\n0.333333 0.666667 0.085689 Rb\n0.000000 0.000000 0.500000 Mn\n0.666667 0.333333 0.338615 Mn\n0.000000 0.000000 0.000000 Mn\n0.666667 0.333333 0.161385 Mn\n0.333333 0.666667 0.661384 Mn\n0.333333 0.666667 0.838615 Mn\n0.991406 0.495703 0.250000 Cl\n0.165898 0.331796 0.917773 Cl\n0.495703 0.504298 0.750000 Cl\n0.668205 0.834103 0.917773 Cl\n0.834102 0.165898 0.417773 Cl\n0.834102 0.668205 0.082227 Cl\n0.495703 0.991406 0.750000 Cl\n0.331796 0.165898 0.417773 Cl\n0.834102 0.165898 0.082227 Cl\n0.834102 0.668205 0.417773 Cl\n0.504297 0.495703 0.250000 Cl\n0.668205 0.834103 0.582227 Cl\n0.008595 0.504298 0.750000 Cl\n0.165898 0.834103 0.582227 Cl\n0.165898 0.331796 0.582227 Cl\n0.165898 0.834103 0.917773 Cl\n0.331796 0.165898 0.082227 Cl\n0.504297 0.008595 0.250000 Cl\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Rb",
"Mn",
"Cl"
],
"chemical_system": "Cl-Mn-Rb",
"density": 3.1701738064802467,
"density_atomic": 0.03868304843602534,
"volume": 775.5335014409346,
"volume_molar": 15.567906365909902,
"formula_full": "Rb6 Mn6 Cl18",
"formula_reduced": "RbMnCl3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.463479888775862,
"spacegroup": 194
}
]
}