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{
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"results": [
{
"id": "jvasp-120973",
"created_at": "2022-09-04T14:38:54.127331Z",
"updated_at": "2022-09-04T14:38:54.127367Z",
"structure_string": "Rb1 Mo1 Cl1\n1.0\n2.974865 -0.000000 -0.000000\n0.000000 2.974865 0.000000\n0.000000 0.000000 8.500751\nRb Mo Cl\n1 1 1\ndirect\n0.000000 0.000000 0.013040 Rb\n0.000000 0.000000 0.625633 Mo\n0.000000 0.000000 0.359421 Cl\n",
"nsites": 3,
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"elements": [
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"chemical_system": "Cl-Mo-Rb",
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"volume": 75.23013124606042,
"volume_molar": 15.10154799190167,
"formula_full": "Rb1 Mo1 Cl1",
"formula_reduced": "RbMoCl",
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{
"id": "jvasp-120971",
"created_at": "2022-09-04T14:38:54.193291Z",
"updated_at": "2022-09-04T14:38:54.193319Z",
"structure_string": "Rb1 Mo1 Cl3\n1.0\n5.074098 0.000000 0.000000\n-0.000000 5.074098 0.000000\n-0.000000 -0.000000 5.074098\nRb Mo Cl\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Mo\n0.000000 0.500000 0.500000 Cl\n0.500000 0.500000 0.000000 Cl\n0.500000 0.000000 0.500000 Cl\n",
"nsites": 5,
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"volume": 130.64011454013703,
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"formula_full": "Rb1 Mo1 Cl3",
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"spacegroup": 221
},
{
"id": "jvasp-120970",
"created_at": "2022-09-04T14:38:53.664176Z",
"updated_at": "2022-09-04T14:38:53.664201Z",
"structure_string": "Rb1 Mo1 Cl2\n1.0\n3.508230 0.000000 0.000000\n0.000000 3.508230 0.000000\n0.000000 0.000000 7.605959\nRb Mo Cl\n1 1 2\ndirect\n0.500000 0.500000 0.593161 Rb\n0.000000 0.000000 0.001101 Mo\n0.000000 0.000000 0.339830 Cl\n0.500000 0.500000 0.075907 Cl\n",
"nsites": 4,
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"elements": [
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"Mo",
"Cl"
],
"chemical_system": "Cl-Mo-Rb",
"density": 4.475690076729525,
"density_atomic": 0.04272970507283369,
"volume": 93.61169222165037,
"volume_molar": 14.093569683514392,
"formula_full": "Rb1 Mo1 Cl2",
"formula_reduced": "RbMoCl2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.25918100875,
"spacegroup": 99
},
{
"id": "jvasp-120972",
"created_at": "2022-09-04T14:38:54.791515Z",
"updated_at": "2022-09-04T14:38:54.791543Z",
"structure_string": "Rb1 Mo1 Cl1\n1.0\n5.375328 0.000000 -0.000000\n-2.687664 4.655171 0.000000\n0.000000 0.000000 2.944827\nRb Mo Cl\n1 1 1\ndirect\n0.666667 0.333333 0.000000 Rb\n0.333334 0.666666 0.000000 Mo\n0.000000 0.000000 0.000000 Cl\n",
"nsites": 3,
"nelements": 3,
"elements": [
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"Mo",
"Cl"
],
"chemical_system": "Cl-Mo-Rb",
"density": 4.8868584326602225,
"density_atomic": 0.04071185207171097,
"volume": 73.68861516581751,
"volume_molar": 14.792107097934126,
"formula_full": "Rb1 Mo1 Cl1",
"formula_reduced": "RbMoCl",
"formula_anonymous": "ABC",
"energy_above_hull": 1.888626655833333,
"spacegroup": 187
},
{
"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,
"nelements": 3,
"elements": [
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"Mo",
"Br"
],
"chemical_system": "Br-Mo-Rb",
"density": 4.441467352608704,
"density_atomic": 0.03207587455085668,
"volume": 872.9302128802652,
"volume_molar": 18.774673627220434,
"formula_full": "Rb6 Mo4 Br18",
"formula_reduced": "Rb3Mo2Br9",
"formula_anonymous": "A2B3C9",
"energy_above_hull": 0.6592991960714281,
"spacegroup": 194
},
{
"id": "jvasp-15957",
"created_at": "2022-09-04T14:37:04.944673Z",
"updated_at": "2022-09-04T14:37:04.944691Z",
"structure_string": "Rb1 Mn1 Te2\n1.0\n4.180672 -0.000000 -1.206794\n-0.348353 4.166133 -1.206794\n0.009716 0.010562 7.878563\nRb Mn Te\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Rb\n0.750000 0.250000 0.500000 Mn\n0.352485 0.352484 0.704970 Te\n0.647516 0.647515 0.295031 Te\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Rb",
"Mn",
"Te"
],
"chemical_system": "Mn-Rb-Te",
"density": 4.783528738319591,
"density_atomic": 0.029127055391834158,
"volume": 137.32936426939366,
"volume_molar": 20.675419052790083,
"formula_full": "Rb1 Mn1 Te2",
"formula_reduced": "RbMnTe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.1601306936781608,
"spacegroup": 119
},
{
"id": "jvasp-87098",
"created_at": "2022-09-04T14:35:42.828701Z",
"updated_at": "2022-09-04T14:35:42.828730Z",
"structure_string": "Rb4 Mn2 Te4\n1.0\n6.508175 -0.000000 -2.765329\n-1.382793 6.720078 -3.254393\n-0.029653 0.048206 8.971342\nRb Mn Te\n4 2 4\ndirect\n0.144397 0.469688 0.288794 Rb\n0.644398 0.819106 0.288794 Rb\n0.855605 0.530313 0.711207 Rb\n0.355604 0.180895 0.711207 Rb\n0.750001 0.000000 0.000000 Mn\n0.250000 0.000000 0.000000 Mn\n0.894939 0.087063 0.789876 Te\n0.105063 0.912938 0.210125 Te\n0.605063 0.297187 0.210125 Te\n0.394939 0.702814 0.789876 Te\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Rb",
"Mn",
"Te"
],
"chemical_system": "Mn-Rb-Te",
"density": 4.065145524099428,
"density_atomic": 0.025444003032499104,
"volume": 393.01991857284423,
"volume_molar": 23.668212711294064,
"formula_full": "Rb4 Mn2 Te4",
"formula_reduced": "Rb2MnTe2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.7389285549425284,
"spacegroup": 72
},
{
"id": "jvasp-18551",
"created_at": "2022-09-04T14:35:42.223223Z",
"updated_at": "2022-09-04T14:35:42.223243Z",
"structure_string": "Rb1 Mn1 Se2\n1.0\n3.823026 0.000000 -1.111946\n-0.323415 3.809322 -1.111946\n0.126574 0.137775 7.563200\nRb Mn Se\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Rb\n0.249999 0.750000 0.499999 Mn\n0.650246 0.650246 0.300492 Se\n0.349753 0.349754 0.699507 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Mn",
"Se"
],
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"density": 4.450257914986702,
"density_atomic": 0.03593396957158113,
"volume": 111.31528321778994,
"volume_molar": 16.75890760691992,
"formula_full": "Rb1 Mn1 Se2",
"formula_reduced": "RbMnSe2",
"formula_anonymous": "ABC2",
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"spacegroup": 119
},
{
"id": "jvasp-115243",
"created_at": "2022-09-04T14:38:45.634761Z",
"updated_at": "2022-09-04T14:38:45.634789Z",
"structure_string": "Rb2 Mn1 Se1\n1.0\n-0.000000 4.149443 4.149443\n4.149443 -0.000000 4.149443\n4.149443 4.149443 -0.000000\nRb Mn Se\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Se\n",
"nsites": 4,
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"elements": [
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"Mn",
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],
"chemical_system": "Mn-Rb-Se",
"density": 3.5425222891342614,
"density_atomic": 0.027993718184193703,
"volume": 142.88920012985446,
"volume_molar": 21.512471906644844,
"formula_full": "Rb2 Mn1 Se1",
"formula_reduced": "Rb2MnSe",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.9398551520114942,
"spacegroup": 225
},
{
"id": "jvasp-115241",
"created_at": "2022-09-04T14:38:45.463036Z",
"updated_at": "2022-09-04T14:38:45.463065Z",
"structure_string": "Rb2 Mn1 Se2\n1.0\n-1.894133 3.899563 5.133597\n1.894133 -3.899563 5.133597\n1.894133 3.899563 -5.133597\nRb Mn Se\n2 1 2\ndirect\n0.311115 0.811116 0.500000 Rb\n0.688885 0.188886 0.499999 Rb\n0.000000 0.000000 0.000000 Mn\n0.783126 0.500001 0.283125 Se\n0.216875 0.500000 0.716875 Se\n",
"nsites": 5,
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"elements": [
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],
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"density_atomic": 0.032965664087788185,
"volume": 151.67296453318536,
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"formula_full": "Rb2 Mn1 Se2",
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"formula_anonymous": "AB2C2",
"energy_above_hull": 0.9282947949425284,
"spacegroup": 71
},
{
"id": "jvasp-87096",
"created_at": "2022-09-04T14:36:11.138089Z",
"updated_at": "2022-09-04T14:36:11.138115Z",
"structure_string": "Rb4 Mn2 Se4\n1.0\n6.099670 0.000000 -2.577445\n-1.330325 6.374009 -3.148289\n-0.031771 0.054387 8.431142\nRb Mn Se\n4 2 4\ndirect\n0.646992 0.811957 0.293985 Rb\n0.353009 0.188044 0.706016 Rb\n0.853009 0.517974 0.706016 Rb\n0.146992 0.482027 0.293985 Rb\n0.750000 -0.000000 0.000000 Mn\n0.250000 -0.000000 0.000000 Mn\n0.602283 0.291100 0.204566 Se\n0.897717 0.086534 0.795435 Se\n0.102284 0.913466 0.204566 Se\n0.397718 0.708900 0.795434 Se\n",
"nsites": 10,
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],
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"density": 3.8800130824263497,
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"volume": 328.50628464210024,
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"formula_full": "Rb4 Mn2 Se4",
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"formula_anonymous": "AB2C2",
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"spacegroup": 72
},
{
"id": "jvasp-14235",
"created_at": "2022-09-04T14:37:46.320610Z",
"updated_at": "2022-09-04T14:37:46.320637Z",
"structure_string": "Rb1 Mn1 Se2\n1.0\n3.823026 0.000000 -1.111946\n-0.323415 3.809322 -1.111946\n0.126574 0.137775 7.563200\nRb Mn Se\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Rb\n0.249999 0.750000 0.499999 Mn\n0.650246 0.650246 0.300492 Se\n0.349753 0.349754 0.699507 Se\n",
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"formula_anonymous": "ABC2",
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"spacegroup": 119
}
]
}