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{
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{
"id": "jvasp-18942",
"created_at": "2022-09-04T14:37:07.996793Z",
"updated_at": "2022-09-04T14:37:07.996808Z",
"structure_string": "Si4 Pt4\n1.0\n3.653857 0.000000 0.000000\n-0.000000 5.713382 0.000000\n0.000000 0.000000 5.985556\nSi Pt\n4 4\ndirect\n0.250000 0.679864 0.084340 Si\n0.750001 0.320136 0.915661 Si\n0.250000 0.179864 0.415660 Si\n0.750001 0.820136 0.584340 Si\n0.250000 0.490477 0.694697 Pt\n0.750001 0.509523 0.305304 Pt\n0.250000 0.990477 0.805304 Pt\n0.750001 0.009523 0.194696 Pt\n",
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{
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"structure_string": "Si4 Rh4\n1.0\n3.169788 -0.000000 0.000000\n0.000000 5.592412 0.000000\n0.000000 0.000000 6.387681\nSi Rh\n4 4\ndirect\n0.250000 0.686042 0.059606 Si\n0.750000 0.313957 0.940394 Si\n0.250000 0.186042 0.440394 Si\n0.750000 0.813957 0.559606 Si\n0.250000 0.502561 0.703169 Rh\n0.750000 0.497438 0.296831 Rh\n0.250000 0.002561 0.796831 Rh\n0.750000 0.997438 0.203169 Rh\n",
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{
"id": "jvasp-19727",
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"structure_string": "Si4 Rh4\n1.0\n4.738932 -0.000000 0.000000\n0.000000 4.738932 0.000000\n0.000000 0.000000 4.738932\nSi Rh\n4 4\ndirect\n0.159088 0.340911 0.659088 Si\n0.340911 0.659088 0.159088 Si\n0.659088 0.159088 0.340911 Si\n0.840911 0.840911 0.840911 Si\n0.846015 0.653984 0.346016 Rh\n0.653984 0.346016 0.846015 Rh\n0.346016 0.846015 0.653984 Rh\n0.153984 0.153984 0.153984 Rh\n",
"nsites": 8,
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"elements": [
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"density": 8.175401973522371,
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"volume": 106.4244540280551,
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"spacegroup": 198
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{
"id": "jvasp-20654",
"created_at": "2022-09-04T14:38:07.449578Z",
"updated_at": "2022-09-04T14:38:07.449609Z",
"structure_string": "Si4 Rh4\n1.0\n0.000000 4.624867 -0.013791\n4.594932 0.000000 0.000000\n0.000000 -2.376474 -5.151113\nSi Rh\n4 4\ndirect\n0.784166 0.353145 0.052514 Si\n0.215835 0.853145 0.447486 Si\n0.215835 0.646854 0.947485 Si\n0.784166 0.146854 0.552514 Si\n0.299482 0.358835 0.623143 Rh\n0.700519 0.858834 0.876856 Rh\n0.700519 0.641165 0.376857 Rh\n0.299482 0.141165 0.123143 Rh\n",
"nsites": 8,
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"elements": [
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"density": 7.937323438082302,
"density_atomic": 0.07298162319288701,
"volume": 109.61663566808284,
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"formula_full": "Si4 Rh4",
"formula_reduced": "SiRh",
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"spacegroup": 14
},
{
"id": "jvasp-92036",
"created_at": "2022-09-04T14:35:44.527971Z",
"updated_at": "2022-09-04T14:35:44.527989Z",
"structure_string": "Si4 Rh4\n1.0\n-0.000000 -3.169106 0.000000\n-5.592698 0.000000 0.000000\n0.000000 0.000000 -6.388513\nSi Rh\n4 4\ndirect\n0.750001 0.313946 0.059561 Si\n0.750001 0.813946 0.440439 Si\n0.250000 0.686054 0.940439 Si\n0.250000 0.186054 0.559561 Si\n0.750001 0.497450 0.703171 Rh\n0.750001 0.997450 0.796828 Rh\n0.250000 0.502550 0.296829 Rh\n0.250000 0.002550 0.203171 Rh\n",
"nsites": 8,
"nelements": 2,
"elements": [
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"density": 7.6840932987471255,
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"volume": 113.22906394614758,
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"formula_full": "Si4 Rh4",
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"energy_above_hull": 1.6463908000000005,
"spacegroup": 62
},
{
"id": "jvasp-91928",
"created_at": "2022-09-04T14:36:11.200439Z",
"updated_at": "2022-09-04T14:36:11.200468Z",
"structure_string": "Si4 Ru4\n1.0\n4.763032 -0.000000 0.000000\n-0.000000 4.763032 -0.000000\n-0.000000 0.000000 4.763032\nSi Ru\n4 4\ndirect\n0.663346 0.163346 0.336654 Si\n0.163346 0.336654 0.663346 Si\n0.336654 0.663346 0.163346 Si\n0.836653 0.836653 0.836653 Si\n0.372997 0.872997 0.627002 Ru\n0.872997 0.627002 0.372997 Ru\n0.627002 0.372997 0.872997 Ru\n0.127003 0.127003 0.127003 Ru\n",
"nsites": 8,
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"elements": [
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"density": 7.939104088651443,
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"volume": 108.05640083385596,
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"formula_full": "Si4 Ru4",
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"energy_above_hull": 2.28479455,
"spacegroup": 198
},
{
"id": "jvasp-2085",
"created_at": "2022-09-04T14:36:21.454989Z",
"updated_at": "2022-09-04T14:36:21.455017Z",
"structure_string": "Si4 Ru4\n1.0\n4.763030 0.000000 0.000000\n0.000000 4.763030 0.000000\n0.000000 0.000000 4.763030\nSi Ru\n4 4\ndirect\n0.163349 0.336651 0.663349 Si\n0.336651 0.663349 0.163349 Si\n0.663349 0.163349 0.336651 Si\n0.836651 0.836651 0.836651 Si\n0.873004 0.626996 0.373004 Ru\n0.626996 0.373004 0.873004 Ru\n0.373004 0.873004 0.626996 Ru\n0.126996 0.126996 0.126996 Ru\n",
"nsites": 8,
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"elements": [
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"volume": 108.0562647150701,
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"formula_full": "Si4 Ru4",
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"formula_anonymous": "AB",
"energy_above_hull": 2.28478955,
"spacegroup": 198
},
{
"id": "jvasp-58234",
"created_at": "2022-09-04T14:37:36.244074Z",
"updated_at": "2022-09-04T14:37:36.244107Z",
"structure_string": "Si4 Ru8\n1.0\n4.048274 -0.000000 0.000000\n0.000000 5.333417 0.000000\n0.000000 0.000000 7.449228\nSi Ru\n4 8\ndirect\n0.250000 0.797386 0.597475 Si\n0.749999 0.202614 0.402525 Si\n0.250000 0.297386 0.902525 Si\n0.749999 0.702615 0.097475 Si\n0.749999 0.012225 0.711039 Ru\n0.250000 0.987776 0.288962 Ru\n0.749999 0.512225 0.788962 Ru\n0.250000 0.487776 0.211039 Ru\n0.250000 0.334894 0.566254 Ru\n0.749999 0.665106 0.433746 Ru\n0.250000 0.834895 0.933747 Ru\n0.749999 0.165106 0.066254 Ru\n",
"nsites": 12,
"nelements": 2,
"elements": [
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"Ru"
],
"chemical_system": "Ru-Si",
"density": 9.507707370437586,
"density_atomic": 0.07460957032490058,
"volume": 160.8372752683587,
"volume_molar": 8.071539259341023,
"formula_full": "Si4 Ru8",
"formula_reduced": "SiRu2",
"formula_anonymous": "AB2",
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},
{
"id": "jvasp-28397",
"created_at": "2022-09-04T14:35:41.296429Z",
"updated_at": "2022-09-04T14:35:41.296449Z",
"structure_string": "Si4 S4\n1.0\n0.000000 -3.958761 0.000000\n-6.655928 0.000000 0.000000\n0.000000 0.000000 -23.940451\nSi S\n4 4\ndirect\n0.000000 0.000000 0.521726 Si\n0.000000 0.500000 0.521726 Si\n0.500000 0.000000 0.466184 Si\n0.500000 0.500000 0.466184 Si\n0.052490 0.750000 0.579275 S\n0.947510 0.250000 0.579275 S\n0.447487 0.750000 0.408634 S\n0.552513 0.250000 0.408634 S\n",
"nsites": 8,
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"elements": [
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],
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"density": 0.6333563140799838,
"density_atomic": 0.012682058755762712,
"volume": 630.8124062557911,
"volume_molar": 47.48551379533348,
"formula_full": "Si4 S4",
"formula_reduced": "SiS",
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"spacegroup": 53
},
{
"id": "jvasp-100443",
"created_at": "2022-09-04T14:36:39.821851Z",
"updated_at": "2022-09-04T14:36:39.821876Z",
"structure_string": "Si4 Se2 N4\n1.0\n6.098924 0.002013 0.000000\n-2.582602 4.981195 0.000000\n-0.000000 -0.000000 4.915848\nSi Se N\n4 2 4\ndirect\n0.624674 0.166040 0.909654 Si\n0.375325 0.541365 0.909654 Si\n0.375325 0.833959 0.409654 Si\n0.624674 0.458634 0.409654 Si\n-0.000000 0.781998 0.263513 Se\n-0.000000 0.218001 0.763513 Se\n0.555365 0.150055 0.255391 N\n0.444634 0.594689 0.255391 N\n0.444634 0.849943 0.755391 N\n0.555365 0.405310 0.755391 N\n",
"nsites": 10,
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"elements": [
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],
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"density": 3.627369030560424,
"density_atomic": 0.06694844229421487,
"volume": 149.36867322548767,
"volume_molar": 8.9951917529833,
"formula_full": "Si4 Se2 N4",
"formula_reduced": "Si2SeN2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.6546894133333336,
"spacegroup": 36
},
{
"id": "jvasp-9832",
"created_at": "2022-09-04T14:38:35.544702Z",
"updated_at": "2022-09-04T14:38:35.544730Z",
"structure_string": "Si4 Sn2 O12\n1.0\n5.261751 0.110344 1.203372\n1.427039 6.464765 0.581359\n0.177350 -0.053209 6.643290\nSi Sn O\n4 2 12\ndirect\n0.235092 0.218431 0.386482 Si\n0.264911 0.613516 0.781568 Si\n0.735092 0.386481 0.218431 Si\n0.764912 0.781567 0.613516 Si\n0.250001 0.109049 0.890948 Sn\n0.750002 0.890948 0.109048 Sn\n0.648210 0.950019 0.810380 O\n0.851790 0.189619 0.049978 O\n0.692634 0.608154 0.096137 O\n0.807353 0.903869 0.391848 O\n0.307352 0.391846 0.903869 O\n0.540623 0.650018 0.634137 O\n0.959386 0.365870 0.349973 O\n0.351789 0.049978 0.189621 O\n0.040622 0.634135 0.650019 O\n0.459387 0.349974 0.365870 O\n0.192634 0.096135 0.608155 O\n0.148211 0.810380 0.950020 O\n",
"nsites": 18,
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"elements": [
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],
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"density": 4.022648054607678,
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"volume": 223.63502789850867,
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"formula_full": "Si4 Sn2 O12",
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},
{
"id": "jvasp-91598",
"created_at": "2022-09-04T14:35:58.354460Z",
"updated_at": "2022-09-04T14:35:58.354492Z",
"structure_string": "Si4 Tc4\n1.0\n4.795216 0.000000 0.000000\n-0.000000 4.795216 -0.000000\n-0.000000 0.000000 4.795216\nSi Tc\n4 4\ndirect\n0.655787 0.155786 0.344214 Si\n0.155786 0.344214 0.655787 Si\n0.344214 0.655787 0.155786 Si\n0.844215 0.844215 0.844215 Si\n0.366436 0.866437 0.633564 Tc\n0.866437 0.633564 0.366436 Tc\n0.633564 0.366436 0.866437 Tc\n0.133564 0.133564 0.133564 Tc\n",
"nsites": 8,
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"density": 7.595383550808114,
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"formula_full": "Si4 Tc4",
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]
}