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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=elements&page=621",
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{
"id": "jvasp-118801",
"created_at": "2022-09-04T14:38:29.176162Z",
"updated_at": "2022-09-04T14:38:29.176178Z",
"structure_string": "Na3 Se1\n1.0\n7.712992 1.187673 -0.435565\n2.154939 -4.304587 -0.273679\n-1.227421 -3.093389 -3.488567\nNa Se\n3 1\ndirect\n0.168529 0.806549 0.089317 Na\n0.519625 0.122268 0.107187 Na\n0.870708 0.437797 0.124828 Na\n0.019640 0.622152 0.607088 Se\n",
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{
"id": "jvasp-118796",
"created_at": "2022-09-04T14:38:29.108522Z",
"updated_at": "2022-09-04T14:38:29.108542Z",
"structure_string": "Na2 Se2\n1.0\n4.622529 -0.505935 -0.482710\n1.937151 -4.260159 -0.006655\n-0.433480 -0.405433 -5.503626\nNa Se\n2 2\ndirect\n0.887826 0.180739 0.059985 Na\n0.571946 0.864849 0.564868 Na\n0.210020 0.501301 0.801822 Se\n0.260581 0.553660 0.344454 Se\n",
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"formula_full": "Na2 Se2",
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{
"id": "jvasp-118795",
"created_at": "2022-09-04T14:38:29.102165Z",
"updated_at": "2022-09-04T14:38:29.102196Z",
"structure_string": "Na2 Se1\n1.0\n4.342614 -0.332061 -0.029668\n4.028951 -4.358555 -0.803562\n-0.116222 -1.121012 -5.043565\nNa Se\n2 1\ndirect\n0.672709 0.408273 0.303360 Na\n0.917057 0.664309 0.791130 Na\n0.966585 0.114681 0.890418 Se\n",
"nsites": 3,
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"elements": [
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"density": 2.443064693373053,
"density_atomic": 0.035327038127240265,
"volume": 84.92079039274836,
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"formula_full": "Na2 Se1",
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"spacegroup": 38
},
{
"id": "jvasp-118793",
"created_at": "2022-09-04T14:38:51.608346Z",
"updated_at": "2022-09-04T14:38:51.608367Z",
"structure_string": "Na1 Se2\n1.0\n5.182123 0.000000 0.000000\n0.000000 3.476058 0.000000\n0.000000 0.000000 5.563227\nNa Se\n1 2\ndirect\n0.466659 0.000000 0.000000 Na\n-0.033330 0.000000 0.788455 Se\n-0.033330 0.000000 0.211546 Se\n",
"nsites": 3,
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"elements": [
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],
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"density": 2.9977099186530847,
"density_atomic": 0.029936411669524012,
"volume": 100.21241133098367,
"volume_molar": 20.11644156447342,
"formula_full": "Na1 Se2",
"formula_reduced": "NaSe2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.7005650166666666,
"spacegroup": 47
},
{
"id": "jvasp-120361",
"created_at": "2022-09-04T14:38:53.764590Z",
"updated_at": "2022-09-04T14:38:53.764606Z",
"structure_string": "Na2 Se1\n1.0\n4.340548 0.057583 0.370501\n0.101242 -5.158156 -0.315562\n0.388266 -3.289867 -3.967511\nNa Se\n2 1\ndirect\n0.925745 0.307594 0.316356 Na\n0.425165 0.563435 0.572571 Na\n0.925300 0.014012 0.022896 Se\n",
"nsites": 3,
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"elements": [
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"Se"
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"density": 2.441994463226698,
"density_atomic": 0.035311562457976266,
"volume": 84.95800783582581,
"volume_molar": 17.054302729217532,
"formula_full": "Na2 Se1",
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"formula_anonymous": "AB2",
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"spacegroup": 38
},
{
"id": "jvasp-118803",
"created_at": "2022-09-04T14:38:50.470919Z",
"updated_at": "2022-09-04T14:38:50.470936Z",
"structure_string": "Na3 Se1\n1.0\n4.774316 -0.674861 0.071244\n1.801409 -4.467104 0.207169\n0.055132 -0.264788 -6.145760\nNa Se\n3 1\ndirect\n0.943486 0.413022 0.079899 Na\n0.610158 0.079767 0.430916 Na\n0.276896 0.746166 0.728771 Na\n0.943518 0.412977 0.579891 Se\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Na-Se",
"density": 1.9835589096007713,
"density_atomic": 0.03229994417716324,
"volume": 123.83922331445038,
"volume_molar": 18.644430860217348,
"formula_full": "Na3 Se1",
"formula_reduced": "Na3Se",
"formula_anonymous": "AB3",
"energy_above_hull": 2.0000000000006124e-05,
"spacegroup": 164
},
{
"id": "jvasp-120355",
"created_at": "2022-09-04T14:38:48.313242Z",
"updated_at": "2022-09-04T14:38:48.313271Z",
"structure_string": "Na2 Se1\n1.0\n4.989955 0.000000 0.000000\n-2.494977 4.321427 0.000000\n-0.000000 0.000000 4.880693\nNa Se\n2 1\ndirect\n0.333333 0.666667 0.000000 Na\n0.666666 0.333333 0.000000 Na\n0.000000 0.000000 0.000000 Se\n",
"nsites": 3,
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"elements": [
"Na",
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],
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"density": 1.9712590216181414,
"density_atomic": 0.02850466580122472,
"volume": 105.24592783933299,
"volume_molar": 21.126859728842195,
"formula_full": "Na2 Se1",
"formula_reduced": "Na2Se",
"formula_anonymous": "AB2",
"energy_above_hull": 0.1206266666666667,
"spacegroup": 191
},
{
"id": "jvasp-118805",
"created_at": "2022-09-04T14:38:53.000134Z",
"updated_at": "2022-09-04T14:38:53.000159Z",
"structure_string": "Na2 Si2\n1.0\n5.929013 0.436533 -0.993788\n-1.463838 -5.628610 -0.203642\n1.935474 -0.384900 -3.259604\nNa Si\n2 2\ndirect\n0.143849 0.183448 -0.096491 Na\n0.844964 0.587130 0.702817 Na\n0.557241 0.012626 -0.009747 Si\n0.431655 0.757999 0.616041 Si\n",
"nsites": 4,
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"elements": [
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],
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"density": 1.7916772670904462,
"density_atomic": 0.0422503213580296,
"volume": 94.67383611367035,
"volume_molar": 14.253479184142355,
"formula_full": "Na2 Si2",
"formula_reduced": "NaSi",
"formula_anonymous": "AB",
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"spacegroup": 63
},
{
"id": "jvasp-106869",
"created_at": "2022-09-04T14:37:50.950384Z",
"updated_at": "2022-09-04T14:37:50.950410Z",
"structure_string": "Na1 Si6\n1.0\n7.162077 0.000000 0.000000\n-3.581039 6.202541 0.000000\n-0.000000 0.000000 2.566666\nNa Si\n1 6\ndirect\n0.000000 0.000000 0.500001 Na\n0.146128 0.705585 -0.000000 Si\n0.294415 0.440543 -0.000000 Si\n0.559457 0.853871 -0.000000 Si\n0.853872 0.294415 -0.000000 Si\n0.705585 0.559457 -0.000000 Si\n0.440543 0.146128 -0.000000 Si\n",
"nsites": 7,
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"elements": [
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],
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"density": 2.788984937975111,
"density_atomic": 0.06139316919577837,
"volume": 114.01919939460214,
"volume_molar": 9.809138115668583,
"formula_full": "Na1 Si6",
"formula_reduced": "NaSi6",
"formula_anonymous": "AB6",
"energy_above_hull": 2.9961943714285706,
"spacegroup": 175
},
{
"id": "jvasp-9121",
"created_at": "2022-09-04T14:38:10.214889Z",
"updated_at": "2022-09-04T14:38:10.214916Z",
"structure_string": "Na8 Si8\n1.0\n6.112129 -0.000000 2.047175\n2.898544 6.006412 1.493886\n-0.063366 0.097086 10.337083\nNa Si\n8 8\ndirect\n0.727394 0.181159 0.547330 Na\n0.455883 0.318841 0.952669 Na\n0.272604 0.818841 0.452670 Na\n0.544115 0.681159 0.047330 Na\n0.970709 0.854148 0.856241 Na\n0.681100 0.645852 0.643758 Na\n0.029289 0.145852 0.143758 Na\n0.318899 0.354148 0.356242 Na\n0.948870 0.333811 0.859178 Si\n0.141860 0.166190 0.640821 Si\n0.051129 0.666190 0.140821 Si\n0.858139 0.833810 0.359179 Si\n0.239411 0.443451 0.688948 Si\n0.371810 0.056550 0.811052 Si\n0.760588 0.556550 0.311052 Si\n0.628189 0.943450 0.188948 Si\n",
"nsites": 16,
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"density": 1.7856978623247235,
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"formula_full": "Na8 Si8",
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"spacegroup": 15
},
{
"id": "jvasp-118806",
"created_at": "2022-09-04T14:38:49.263726Z",
"updated_at": "2022-09-04T14:38:49.263756Z",
"structure_string": "Na1 Si1\n1.0\n2.690594 0.000000 -0.000000\n0.000000 2.690594 -0.000000\n0.000000 -0.000000 5.828801\nNa Si\n1 1\ndirect\n0.000000 0.000000 -0.123657 Na\n0.000000 0.000000 0.376346 Si\n",
"nsites": 2,
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},
{
"id": "jvasp-100212",
"created_at": "2022-09-04T14:36:19.683395Z",
"updated_at": "2022-09-04T14:36:19.683422Z",
"structure_string": "Na3 Si1\n1.0\n4.467222 -0.000000 2.579153\n1.489074 4.211738 2.579153\n-0.000000 -0.000000 5.158304\nNa Si\n3 1\ndirect\n0.250000 0.250000 0.250000 Na\n0.749999 0.750000 0.749999 Na\n0.499999 0.500000 0.499999 Na\n0.000000 0.000000 0.000000 Si\n",
"nsites": 4,
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"formula_full": "Na3 Si1",
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}
]
}