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"results": [
{
"id": "jvasp-101216",
"created_at": "2022-09-04T14:36:45.338702Z",
"updated_at": "2022-09-04T14:36:45.338719Z",
"structure_string": "Cd1 In1 As1 Se1\n1.0\n4.188443 0.005838 6.338534\n1.909387 3.727913 6.338534\n0.009534 0.005838 7.597367\nCd In As Se\n1 1 1 1\ndirect\n0.002572 0.002572 0.002572 Cd\n0.498294 0.498295 0.498294 In\n0.125792 0.125792 0.125792 As\n0.623341 0.623342 0.623342 Se\n",
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"density": 5.352581845507833,
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{
"id": "jvasp-75678",
"created_at": "2022-09-04T14:36:10.017663Z",
"updated_at": "2022-09-04T14:36:10.017690Z",
"structure_string": "Cd1 As1 Ir1\n1.0\n0.000000 3.152803 3.152803\n3.152803 -0.000000 3.152803\n3.152803 3.152803 0.000000\nCd As Ir\n1 1 1\ndirect\n0.749999 0.749999 0.749999 Cd\n0.499999 0.499999 0.499999 As\n0.000000 0.000000 0.000000 Ir\n",
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"volume": 62.678775142735375,
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"formula_full": "Cd1 As1 Ir1",
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{
"id": "jvasp-35908",
"created_at": "2022-09-04T14:37:34.852245Z",
"updated_at": "2022-09-04T14:37:34.852272Z",
"structure_string": "K2 Cd2 As2\n1.0\n4.583222 -0.000000 0.000000\n0.000000 4.583222 0.000000\n0.000000 -0.000000 7.907407\nK Cd As\n2 2 2\ndirect\n0.500000 0.000000 0.349132 K\n0.000000 0.500000 0.650869 K\n0.500000 0.500000 0.000000 Cd\n0.000000 0.000000 0.000000 Cd\n0.500000 0.000000 0.788359 As\n0.000000 0.500000 0.211642 As\n",
"nsites": 6,
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"elements": [
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],
"chemical_system": "As-Cd-K",
"density": 4.527296157724548,
"density_atomic": 0.0361222978844048,
"volume": 166.1023896984804,
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"formula_full": "K2 Cd2 As2",
"formula_reduced": "KCdAs",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 129
},
{
"id": "jvasp-90854",
"created_at": "2022-09-04T14:35:43.386296Z",
"updated_at": "2022-09-04T14:35:43.386320Z",
"structure_string": "K1 Cd4 As3\n1.0\n-2.266297 -3.925342 0.000000\n2.266297 -3.925342 0.000000\n-0.000000 -2.616894 12.031292\nK Cd As\n1 4 3\ndirect\n0.500000 0.500000 0.500000 K\n0.089762 0.089762 0.730713 Cd\n0.910237 0.910237 0.269287 Cd\n0.301042 0.301042 0.096873 Cd\n0.698957 0.698957 0.903127 Cd\n0.226460 0.226460 0.320621 As\n0.773540 0.773540 0.679379 As\n0.000000 0.000000 0.000000 As\n",
"nsites": 8,
"nelements": 3,
"elements": [
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],
"chemical_system": "As-Cd-K",
"density": 5.534913123847254,
"density_atomic": 0.03737260743468236,
"volume": 214.06052585391396,
"volume_molar": 16.113782723148613,
"formula_full": "K1 Cd4 As3",
"formula_reduced": "KCd4As3",
"formula_anonymous": "AB3C4",
"energy_above_hull": 0.0,
"spacegroup": 166
},
{
"id": "jvasp-4098",
"created_at": "2022-09-04T14:37:03.729089Z",
"updated_at": "2022-09-04T14:37:03.729115Z",
"structure_string": "K4 Cd1 As2\n1.0\n5.531076 0.024987 8.179496\n2.524405 4.921464 8.179496\n0.040693 0.024987 9.873971\nK Cd As\n4 1 2\ndirect\n0.207959 0.207959 0.207959 K\n0.792041 0.792041 0.792040 K\n0.390767 0.390767 0.390766 K\n0.609234 0.609234 0.609233 K\n0.000000 0.000000 0.000000 Cd\n0.909939 0.909939 0.909938 As\n0.090062 0.090062 0.090062 As\n",
"nsites": 7,
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"elements": [
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],
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"density": 2.6143232681821473,
"density_atomic": 0.026324481898141,
"volume": 265.9121659862309,
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"formula_full": "K4 Cd1 As2",
"formula_reduced": "K4CdAs2",
"formula_anonymous": "AB2C4",
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"spacegroup": 166
},
{
"id": "jvasp-116426",
"created_at": "2022-09-04T14:38:48.170434Z",
"updated_at": "2022-09-04T14:38:48.170464Z",
"structure_string": "Li1 Cd1 As1\n1.0\n5.022400 -0.029798 0.000000\n-2.510527 4.281149 0.000000\n0.000000 0.000000 2.932157\nLi Cd As\n1 1 1\ndirect\n0.666334 0.664821 0.000000 Li\n-0.000476 0.331850 0.000000 Cd\n0.334142 0.003329 0.000000 As\n",
"nsites": 3,
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"elements": [
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],
"chemical_system": "As-Cd-Li",
"density": 5.134730553298994,
"density_atomic": 0.04775029160008139,
"volume": 62.82684145943282,
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"formula_full": "Li1 Cd1 As1",
"formula_reduced": "LiCdAs",
"formula_anonymous": "ABC",
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"spacegroup": 187
},
{
"id": "jvasp-35771",
"created_at": "2022-09-04T14:37:33.476235Z",
"updated_at": "2022-09-04T14:37:33.476252Z",
"structure_string": "Li1 Cd1 As1\n1.0\n3.159463 3.159463 0.000000\n3.159463 -0.000000 -3.159463\n0.000000 3.159463 -3.159463\nLi Cd As\n1 1 1\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Cd\n0.749999 0.749999 0.749999 As\n",
"nsites": 3,
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"elements": [
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"density": 5.114380887419896,
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"volume": 63.07682386396654,
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"formula_full": "Li1 Cd1 As1",
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"formula_anonymous": "ABC",
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"spacegroup": 216
},
{
"id": "jvasp-75523",
"created_at": "2022-09-04T14:35:55.716159Z",
"updated_at": "2022-09-04T14:35:55.716177Z",
"structure_string": "Li1 Cd1 As1\n1.0\n-0.000000 3.160340 3.160340\n3.160340 0.000000 3.160340\n3.160340 3.160340 0.000000\nLi Cd As\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.750000 0.750000 0.750000 Cd\n0.500000 0.500000 0.500000 As\n",
"nsites": 3,
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"elements": [
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"density": 5.110124319324732,
"density_atomic": 0.04752146657503776,
"volume": 63.129364815854615,
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"formula_full": "Li1 Cd1 As1",
"formula_reduced": "LiCdAs",
"formula_anonymous": "ABC",
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"spacegroup": 216
},
{
"id": "jvasp-36286",
"created_at": "2022-09-04T14:37:19.068700Z",
"updated_at": "2022-09-04T14:37:19.068732Z",
"structure_string": "Li1 Cd1 As1\n1.0\n3.058325 3.058325 -0.000000\n3.058325 0.000000 -3.058325\n0.000000 3.058325 -3.058325\nLi Cd As\n1 1 1\ndirect\n0.749999 0.749999 0.749999 Li\n0.000000 0.000000 0.000000 Cd\n0.499999 0.499999 0.499999 As\n",
"nsites": 3,
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"elements": [
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"density": 5.638738900906868,
"density_atomic": 0.05243730395980272,
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"formula_full": "Li1 Cd1 As1",
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"formula_anonymous": "ABC",
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},
{
"id": "jvasp-116425",
"created_at": "2022-09-04T14:38:49.624687Z",
"updated_at": "2022-09-04T14:38:49.624701Z",
"structure_string": "Li1 Cd1 As1\n1.0\n4.618913 0.000000 -0.000000\n-2.309456 4.000096 0.000000\n-0.000000 -0.000000 4.416299\nLi Cd As\n1 1 1\ndirect\n0.666666 0.333334 0.000000 Li\n0.333332 0.666667 0.000000 Cd\n0.000000 0.000000 0.000000 As\n",
"nsites": 3,
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"elements": [
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"Cd",
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],
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"density": 3.953613581556338,
"density_atomic": 0.036766525416229434,
"volume": 81.59596170803086,
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"formula_full": "Li1 Cd1 As1",
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"formula_anonymous": "ABC",
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"spacegroup": 187
},
{
"id": "jvasp-116427",
"created_at": "2022-09-04T14:38:49.656355Z",
"updated_at": "2022-09-04T14:38:49.656381Z",
"structure_string": "Li1 Cd1 As1\n1.0\n0.000000 3.167243 3.167243\n3.167243 0.000000 3.167243\n3.167243 3.167243 -0.000000\nLi Cd As\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.250000 0.250000 0.250000 Cd\n0.500000 0.500000 0.500000 As\n",
"nsites": 3,
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"elements": [
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"volume": 63.54394162623979,
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"formula_anonymous": "ABC",
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},
{
"id": "jvasp-10117",
"created_at": "2022-09-04T14:38:15.208637Z",
"updated_at": "2022-09-04T14:38:15.208658Z",
"structure_string": "Na4 Cd4 As4\n1.0\n4.494983 -0.000000 0.000000\n-0.000000 7.570547 0.000000\n0.000000 0.000000 8.164206\nNa Cd As\n4 4 4\ndirect\n0.250000 0.517907 0.675136 Na\n0.750000 0.482093 0.324865 Na\n0.250000 0.017907 0.824865 Na\n0.750000 0.982094 0.175135 Na\n0.750000 0.848894 0.575179 Cd\n0.750000 0.348894 0.924822 Cd\n0.250000 0.651106 0.075178 Cd\n0.250000 0.151106 0.424822 Cd\n0.250000 0.775842 0.391876 As\n0.750000 0.724159 0.891876 As\n0.750000 0.224159 0.608125 As\n0.250000 0.275841 0.108125 As\n",
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"spacegroup": 62
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}