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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=4076",
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"results": [
{
"id": "jvasp-21675",
"created_at": "2022-09-04T14:38:01.217529Z",
"updated_at": "2022-09-04T14:38:01.217538Z",
"structure_string": "Mn4 Be8\n1.0\n2.073698 -3.591750 0.000000\n2.073698 3.591750 0.000000\n-0.000000 -0.000000 6.752502\nMn Be\n4 8\ndirect\n0.333334 0.666668 0.060939 Mn\n0.666668 0.333334 0.560939 Mn\n0.666668 0.333334 0.939061 Mn\n0.333334 0.666668 0.439061 Mn\n0.000000 0.000000 0.000000 Be\n0.000000 0.000000 0.500000 Be\n0.830042 0.660081 0.250000 Be\n0.169960 0.830041 0.750000 Be\n0.660081 0.830042 0.750000 Be\n0.339920 0.169959 0.250000 Be\n0.830041 0.169960 0.250000 Be\n0.169959 0.339920 0.750000 Be\n",
"nsites": 12,
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"elements": [
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"volume": 100.58803550202666,
"volume_molar": 5.047960904709015,
"formula_full": "Mn4 Be8",
"formula_reduced": "MnBe2",
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"spacegroup": 194
},
{
"id": "jvasp-39210",
"created_at": "2022-09-04T14:37:53.277471Z",
"updated_at": "2022-09-04T14:37:53.277495Z",
"structure_string": "Mn1 Be3\n1.0\n3.246666 0.000000 0.000000\n0.000000 3.246666 0.000000\n-0.000000 -0.000000 3.246666\nMn Be\n1 3\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500001 0.000000 0.500001 Be\n0.000000 0.500001 0.500001 Be\n0.500001 0.500001 0.000000 Be\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Be-Mn",
"density": 3.977548803380296,
"density_atomic": 0.11688187029565529,
"volume": 34.222587214611735,
"volume_molar": 5.152330934444206,
"formula_full": "Mn1 Be3",
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"formula_anonymous": "AB3",
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"spacegroup": 221
},
{
"id": "jvasp-15887",
"created_at": "2022-09-04T14:37:55.142856Z",
"updated_at": "2022-09-04T14:37:55.142873Z",
"structure_string": "Mn3 B4\n1.0\n2.874487 -0.000000 -0.643967\n-0.149947 2.909237 -0.669321\n-0.019782 -0.006750 6.649127\nMn B\n3 4\ndirect\n0.184661 0.184650 0.369322 Mn\n0.815340 0.815351 0.630678 Mn\n0.500001 -0.000000 -0.000000 Mn\n0.932391 0.432395 0.864779 B\n0.067610 0.567606 0.135221 B\n0.356480 0.356487 0.712961 B\n0.643520 0.643514 0.287039 B\n",
"nsites": 7,
"nelements": 2,
"elements": [
"Mn",
"B"
],
"chemical_system": "B-Mn",
"density": 6.219076323149266,
"density_atomic": 0.12600568163168216,
"volume": 55.55305053990486,
"volume_molar": 4.779261285695729,
"formula_full": "Mn3 B4",
"formula_reduced": "Mn3B4",
"formula_anonymous": "A3B4",
"energy_above_hull": 4.94481743678161,
"spacegroup": 71
},
{
"id": "jvasp-17670",
"created_at": "2022-09-04T14:38:16.477047Z",
"updated_at": "2022-09-04T14:38:16.477073Z",
"structure_string": "Mn4 B2\n1.0\n3.997792 -0.010279 -1.028750\n-2.404769 3.193671 -1.028750\n0.005144 0.010279 4.128031\nMn B\n4 2\ndirect\n0.658605 0.158606 0.817213 Mn\n0.158606 0.341394 0.500000 Mn\n0.841392 0.658606 0.500000 Mn\n0.341393 0.841393 0.182786 Mn\n0.250000 0.250000 -0.000000 B\n0.749999 0.749999 -0.000000 B\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mn",
"B"
],
"chemical_system": "B-Mn",
"density": 7.6072874657268335,
"density_atomic": 0.11387835087304457,
"volume": 52.68780197466156,
"volume_molar": 5.288222663773631,
"formula_full": "Mn4 B2",
"formula_reduced": "Mn2B",
"formula_anonymous": "AB2",
"energy_above_hull": 3.7129923553639848,
"spacegroup": 140
},
{
"id": "jvasp-16044",
"created_at": "2022-09-04T14:35:53.921631Z",
"updated_at": "2022-09-04T14:35:53.921650Z",
"structure_string": "Mn4 B4\n1.0\n2.977851 0.000000 0.000000\n-0.000000 4.116707 0.000000\n0.000000 0.000000 5.455779\nMn B\n4 4\ndirect\n0.250000 0.378026 0.675087 Mn\n0.750000 0.621975 0.324913 Mn\n0.750000 0.878026 0.824913 Mn\n0.250000 0.121975 0.175087 Mn\n0.250000 0.886294 0.533378 B\n0.750000 0.113706 0.466622 B\n0.750000 0.386294 0.966622 B\n0.250000 0.613707 0.033378 B\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mn",
"B"
],
"chemical_system": "B-Mn",
"density": 6.529634117516686,
"density_atomic": 0.11961352679897581,
"volume": 66.88206772336805,
"volume_molar": 5.0346653268746895,
"formula_full": "Mn4 B4",
"formula_reduced": "MnB",
"formula_anonymous": "AB",
"energy_above_hull": 2.687104912356322,
"spacegroup": 62
},
{
"id": "jvasp-78264",
"created_at": "2022-09-04T14:37:14.506094Z",
"updated_at": "2022-09-04T14:37:14.506127Z",
"structure_string": "Mn1 B2\n1.0\n-1.491127 -2.582710 0.000000\n-1.491164 2.582731 0.000000\n0.000000 0.000000 -2.958727\nMn B\n1 2\ndirect\n0.999969 0.000001 0.000000 Mn\n0.333293 0.666656 0.500000 B\n0.666638 0.333344 0.500000 B\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Mn",
"B"
],
"chemical_system": "B-Mn",
"density": 5.578519493435762,
"density_atomic": 0.13164032087553096,
"volume": 22.78937015685772,
"volume_molar": 4.574693163878017,
"formula_full": "Mn1 B2",
"formula_reduced": "MnB2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.824210802681992,
"spacegroup": 191
},
{
"id": "jvasp-54509",
"created_at": "2022-09-04T14:37:54.527294Z",
"updated_at": "2022-09-04T14:37:54.527312Z",
"structure_string": "Mn8 B8\n1.0\n6.675964 -0.000000 -0.000000\n0.000000 6.675964 -0.000000\n-0.000000 0.000000 3.957619\nMn B\n8 8\ndirect\n0.131326 0.368673 0.131248 Mn\n0.368673 0.131326 0.368752 Mn\n0.131326 0.631326 0.631249 Mn\n0.631326 0.131326 0.868752 Mn\n0.868673 0.631326 0.131248 Mn\n0.368673 0.868673 0.868752 Mn\n0.868673 0.368673 0.631249 Mn\n0.631326 0.868673 0.368752 Mn\n0.322985 0.822985 0.371991 B\n0.822985 0.322985 0.128009 B\n0.177015 0.677014 0.128009 B\n0.822985 0.677014 0.628009 B\n0.677014 0.822985 0.871992 B\n0.322985 0.177015 0.871992 B\n0.177015 0.322985 0.628009 B\n0.677014 0.177015 0.371991 B\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Mn",
"B"
],
"chemical_system": "B-Mn",
"density": 4.951839719351563,
"density_atomic": 0.0907105976100471,
"volume": 176.3851239166331,
"volume_molar": 6.638850276225043,
"formula_full": "Mn8 B8",
"formula_reduced": "MnB",
"formula_anonymous": "AB",
"energy_above_hull": 2.903584912356322,
"spacegroup": 138
},
{
"id": "jvasp-14798",
"created_at": "2022-09-04T14:36:15.370871Z",
"updated_at": "2022-09-04T14:36:15.370892Z",
"structure_string": "Mn1 B2\n1.0\n1.491144 -2.582736 0.000000\n1.491144 2.582736 0.000000\n0.000000 0.000000 2.958697\nMn B\n1 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.333331 0.666666 0.500001 B\n0.666666 0.333331 0.500001 B\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Mn",
"B"
],
"chemical_system": "B-Mn",
"density": 5.578548189579212,
"density_atomic": 0.13164099803898557,
"volume": 22.78925292796358,
"volume_molar": 4.574669631581294,
"formula_full": "Mn1 B2",
"formula_reduced": "MnB2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.824217469348659,
"spacegroup": 191
},
{
"id": "jvasp-19590",
"created_at": "2022-09-04T14:38:01.446864Z",
"updated_at": "2022-09-04T14:38:01.446892Z",
"structure_string": "Mn1 B4\n1.0\n2.728529 0.005992 1.131230\n1.552735 3.519585 0.092512\n0.003448 0.014736 3.847960\nMn B\n1 4\ndirect\n0.000000 0.000000 0.000000 Mn\n0.797266 0.862027 0.543439 B\n0.202736 0.456561 0.137974 B\n0.202735 0.137975 0.456560 B\n0.797266 0.543441 0.862025 B\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Mn",
"B"
],
"chemical_system": "B-Mn",
"density": 4.415219514294651,
"density_atomic": 0.1354070054793106,
"volume": 36.92571135666959,
"volume_molar": 4.447436629059896,
"formula_full": "Mn1 B4",
"formula_reduced": "MnB4",
"formula_anonymous": "AB4",
"energy_above_hull": 4.666387514942529,
"spacegroup": 71
},
{
"id": "jvasp-116494",
"created_at": "2022-09-04T14:38:43.381205Z",
"updated_at": "2022-09-04T14:38:43.381225Z",
"structure_string": "Mn4 B16\n1.0\n5.344391 0.000000 0.000000\n-0.000000 4.955090 2.305210\n-0.000000 0.014579 5.493928\nMn B\n4 16\ndirect\n0.999776 0.729482 0.276348 Mn\n0.499776 0.270518 0.223653 Mn\n0.000224 0.270518 0.723653 Mn\n0.500224 0.729482 0.776348 Mn\n0.631287 0.162227 0.658254 B\n0.131287 0.837774 0.841746 B\n0.368433 0.329862 0.826323 B\n0.868433 0.670139 0.673678 B\n0.631567 0.670139 0.173678 B\n0.131567 0.329861 0.326323 B\n0.314485 0.636042 0.138004 B\n0.685514 0.363958 0.861997 B\n0.868713 0.162226 0.158254 B\n0.185514 0.636043 0.638004 B\n0.320290 0.130759 0.627501 B\n0.820290 0.869241 0.872499 B\n0.679710 0.869241 0.372499 B\n0.179710 0.130759 0.127501 B\n0.814485 0.363958 0.361996 B\n0.368713 0.837774 0.341746 B\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Mn",
"B"
],
"chemical_system": "B-Mn",
"density": 4.487917979552076,
"density_atomic": 0.13763653935674955,
"volume": 145.31025041366837,
"volume_molar": 4.375393909309796,
"formula_full": "Mn4 B16",
"formula_reduced": "MnB4",
"formula_anonymous": "AB4",
"energy_above_hull": 4.662061514942529,
"spacegroup": 14
},
{
"id": "jvasp-102710",
"created_at": "2022-09-04T14:38:45.077095Z",
"updated_at": "2022-09-04T14:38:45.077112Z",
"structure_string": "Mn1 Au4\n1.0\n2.955100 -0.012362 10.980082\n1.441324 2.579797 10.980082\n-0.021168 -0.012362 11.370768\nMn Au\n1 4\ndirect\n0.000000 0.000000 0.000000 Mn\n0.605512 0.605515 0.605514 Au\n0.201579 0.201580 0.201580 Au\n0.798418 0.798422 0.798421 Au\n0.394485 0.394487 0.394487 Au\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Mn",
"Au"
],
"chemical_system": "Au-Mn",
"density": 15.958597667240161,
"density_atomic": 0.057014967248571864,
"volume": 87.69627066873817,
"volume_molar": 10.562385721884011,
"formula_full": "Mn1 Au4",
"formula_reduced": "MnAu4",
"formula_anonymous": "AB4",
"energy_above_hull": 1.2751555042758618,
"spacegroup": 166
},
{
"id": "jvasp-92490",
"created_at": "2022-09-04T14:36:02.790229Z",
"updated_at": "2022-09-04T14:36:02.790258Z",
"structure_string": "Mn1 Au4\n1.0\n0.000000 -0.000000 4.004465\n-3.279532 3.279532 2.002232\n-3.279532 -3.279532 2.002232\nMn Au\n1 4\ndirect\n0.000000 0.000000 0.000000 Mn\n0.601457 0.604117 0.192969 Au\n0.398544 0.395882 0.807030 Au\n0.205574 0.192969 0.395882 Au\n0.794426 0.807030 0.604117 Au\n",
"nsites": 5,
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"elements": [
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],
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"density": 16.24716561270117,
"density_atomic": 0.05804592825796063,
"volume": 86.13868621033349,
"volume_molar": 10.374785864801984,
"formula_full": "Mn1 Au4",
"formula_reduced": "MnAu4",
"formula_anonymous": "AB4",
"energy_above_hull": 1.258427504275862,
"spacegroup": 87
}
]
}