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{
"id": "jvasp-113505",
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"structure_string": "Si2 Cl2\n1.0\n3.511228 0.000000 -0.000000\n0.000000 3.511228 -0.000000\n-0.000000 -0.000000 7.426096\nSi Cl\n2 2\ndirect\n0.000000 0.000000 0.540950 Si\n0.500000 0.500000 0.459051 Si\n0.000000 0.000000 0.821169 Cl\n0.500000 0.500000 0.178832 Cl\n",
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{
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"structure_string": "Si2 C2 Cl6 F6\n1.0\n6.082369 0.000704 0.225776\n0.210028 7.214111 1.662867\n-0.002320 0.090601 7.405702\nSi C Cl F\n2 2 6 6\ndirect\n0.677121 0.810614 0.810615 Si\n0.322880 0.189385 0.189386 Si\n0.249817 0.353217 0.353217 C\n0.750183 0.646782 0.646784 C\n0.344213 0.832378 0.832379 Cl\n0.191266 0.307303 0.940023 Cl\n0.808735 0.692696 0.059977 Cl\n0.808735 0.059976 0.692697 Cl\n0.655787 0.167621 0.167622 Cl\n0.191266 0.940023 0.307304 Cl\n0.669023 0.473622 0.713946 F\n0.669023 0.713945 0.473623 F\n0.026346 0.374774 0.374774 F\n0.330978 0.286054 0.526378 F\n0.973655 0.625226 0.625227 F\n0.330978 0.526377 0.286055 F\n",
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{
"id": "jvasp-117890",
"created_at": "2022-09-04T14:38:48.635567Z",
"updated_at": "2022-09-04T14:38:48.635593Z",
"structure_string": "Si1 C1 Cl1\n1.0\n6.477130 -0.000000 0.000000\n-0.000000 6.477130 0.000000\n0.000000 0.000000 4.762595\nSi C Cl\n1 1 1\ndirect\n-0.014880 0.258811 0.000000 Si\n-0.034986 -0.025252 0.000000 C\n0.258317 -0.015636 0.000000 Cl\n",
"nsites": 3,
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"elements": [
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"density_atomic": 0.015014551905253628,
"volume": 199.80616264347475,
"volume_molar": 40.10869453848196,
"formula_full": "Si1 C1 Cl1",
"formula_reduced": "SiCCl",
"formula_anonymous": "ABC",
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"spacegroup": 6
},
{
"id": "jvasp-30467",
"created_at": "2022-09-04T14:38:05.495133Z",
"updated_at": "2022-09-04T14:38:05.495158Z",
"structure_string": "Si1 C3\n1.0\n-1.277095 1.277095 6.543134\n1.277095 -1.277095 6.543134\n1.277095 1.277095 -6.543134\nSi C\n1 3\ndirect\n0.000000 0.000000 0.000000 Si\n0.750001 0.250000 0.500001 C\n0.250000 0.750001 0.500001 C\n0.500000 0.500000 0.000000 C\n",
"nsites": 4,
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"density": 2.494216456288733,
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"volume": 42.68666393736082,
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"formula_full": "Si1 C3",
"formula_reduced": "SiC3",
"formula_anonymous": "AB3",
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"spacegroup": 139
},
{
"id": "jvasp-117952",
"created_at": "2022-09-04T14:38:49.118079Z",
"updated_at": "2022-09-04T14:38:49.118100Z",
"structure_string": "Si1 C2\n1.0\n2.842542 0.000000 0.000000\n0.000000 3.167099 0.000000\n0.000000 0.000000 3.927816\nSi C\n1 2\ndirect\n0.466664 0.000000 0.000000 Si\n-0.033332 0.000000 0.666378 C\n-0.033332 0.000000 0.333624 C\n",
"nsites": 3,
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"elements": [
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"density": 2.446947601250239,
"density_atomic": 0.08484018177342556,
"volume": 35.3606031633903,
"volume_molar": 7.098217653614589,
"formula_full": "Si1 C2",
"formula_reduced": "SiC2",
"formula_anonymous": "AB2",
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"spacegroup": 47
},
{
"id": "jvasp-115772",
"created_at": "2022-09-04T14:38:39.659136Z",
"updated_at": "2022-09-04T14:38:39.659157Z",
"structure_string": "Si1 C2\n1.0\n4.649210 0.000000 0.642543\n0.000000 2.952678 0.000000\n0.313651 0.000000 2.449407\nSi C\n1 2\ndirect\n0.466672 0.000000 0.133311 Si\n-0.104197 0.000000 -0.081422 C\n0.037525 0.000000 0.348112 C\n",
"nsites": 3,
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"density": 2.6196472879941086,
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"volume": 33.02946296853308,
"volume_molar": 6.6302691741237885,
"formula_full": "Si1 C2",
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{
"id": "jvasp-35061",
"created_at": "2022-09-04T14:37:39.582935Z",
"updated_at": "2022-09-04T14:37:39.582956Z",
"structure_string": "Si2 C4\n1.0\n3.178235 0.000000 0.000000\n-0.000000 3.178235 0.000000\n0.000000 0.000000 6.896090\nSi C\n2 4\ndirect\n0.000000 0.000000 0.750000 Si\n0.000000 0.000000 0.250000 Si\n0.000000 0.499999 0.401138 C\n0.499999 0.000000 0.901138 C\n0.000000 0.499999 0.598862 C\n0.499999 0.000000 0.098862 C\n",
"nsites": 6,
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"volume": 69.65863063018597,
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"formula_full": "Si2 C4",
"formula_reduced": "SiC2",
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"spacegroup": 131
},
{
"id": "jvasp-115773",
"created_at": "2022-09-04T14:38:40.462263Z",
"updated_at": "2022-09-04T14:38:40.462286Z",
"structure_string": "Si1 C1\n1.0\n2.786626 0.000000 0.000000\n0.000000 2.786626 -0.000000\n0.000000 0.000000 2.641418\nSi C\n1 1\ndirect\n0.500002 0.500002 0.000000 Si\n0.000000 0.000000 0.000000 C\n",
"nsites": 2,
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"elements": [
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"density": 3.2460694716089598,
"density_atomic": 0.09750693223559065,
"volume": 20.511362158002417,
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"formula_anonymous": "AB",
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"spacegroup": 123
},
{
"id": "jvasp-8118",
"created_at": "2022-09-04T14:37:09.749404Z",
"updated_at": "2022-09-04T14:37:09.749420Z",
"structure_string": "Si2 C2\n1.0\n1.548610 -2.682271 -0.000000\n1.548610 2.682271 0.000000\n0.000000 0.000000 5.086304\nSi C\n2 2\ndirect\n0.333333 0.666667 0.499664 Si\n0.666667 0.333333 0.999663 Si\n0.333333 0.666667 0.875335 C\n0.666667 0.333333 0.375336 C\n",
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"elements": [
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"formula_full": "Si2 C2",
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"spacegroup": 186
},
{
"id": "jvasp-22643",
"created_at": "2022-09-04T14:37:19.735337Z",
"updated_at": "2022-09-04T14:37:19.735358Z",
"structure_string": "Si5 C5\n1.0\n3.100420 -0.000000 -0.000000\n-1.550210 2.685042 -0.000000\n0.000000 -0.000000 12.686398\nSi C\n5 5\ndirect\n0.666667 0.333333 0.399654 Si\n0.666667 0.333333 0.800157 Si\n0.000000 0.000000 0.000242 Si\n0.333333 0.666667 0.199948 Si\n0.000000 0.000000 0.599724 Si\n0.666667 0.333333 0.950523 C\n0.333333 0.666667 0.349926 C\n0.000000 0.000000 0.150155 C\n0.666667 0.333333 0.549595 C\n0.000000 0.000000 0.750077 C\n",
"nsites": 10,
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},
{
"id": "jvasp-117953",
"created_at": "2022-09-04T14:38:52.053630Z",
"updated_at": "2022-09-04T14:38:52.053655Z",
"structure_string": "Si1 C1\n1.0\n3.093340 -0.000000 0.000000\n-1.546670 2.678911 -0.000000\n-0.000000 0.000000 4.023370\nSi C\n1 1\ndirect\n0.333333 0.666666 0.000000 Si\n0.000000 0.000000 0.000000 C\n",
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},
{
"id": "jvasp-117951",
"created_at": "2022-09-04T14:38:52.004676Z",
"updated_at": "2022-09-04T14:38:52.004694Z",
"structure_string": "Si1 C1\n1.0\n7.408481 0.000000 0.000000\n0.000000 7.408481 0.000000\n0.000000 0.000000 10.583545\nSi C\n1 1\ndirect\n0.000000 0.000000 0.089773 Si\n0.000000 0.000000 0.910227 C\n",
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"formula_full": "Si1 C1",
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"spacegroup": 99
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}