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{
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{
"id": "jvasp-35184",
"created_at": "2022-09-04T14:38:00.764806Z",
"updated_at": "2022-09-04T14:38:00.764828Z",
"structure_string": "Zn8 Si4 O16\n1.0\n5.116912 -0.000000 0.000000\n0.000000 6.706247 0.000000\n0.000000 0.000000 10.384260\nZn Si O\n8 4 16\ndirect\n0.329452 0.000254 0.655998 Zn\n0.170548 0.499747 0.155998 Zn\n0.670548 0.500254 0.344002 Zn\n0.829452 -0.000254 0.844002 Zn\n0.670548 -0.000254 0.344002 Zn\n0.829452 0.500254 0.844002 Zn\n0.329452 0.499747 0.655998 Zn\n0.170548 0.000254 0.155998 Zn\n0.327519 0.250000 0.908737 Si\n0.172481 0.250000 0.408737 Si\n0.672481 0.750000 0.091263 Si\n0.827519 0.750000 0.591263 Si\n0.210283 0.451029 0.837497 O\n0.289717 0.048971 0.337497 O\n0.210283 0.048971 0.837497 O\n0.289717 0.451029 0.337497 O\n0.789717 0.548971 0.162503 O\n0.710283 0.951029 0.662503 O\n0.261556 0.250000 0.560890 O\n0.352336 0.750000 0.110408 O\n0.738443 0.750000 0.439110 O\n0.761556 0.750000 0.939110 O\n0.647663 0.250000 0.889592 O\n0.852336 0.250000 0.389592 O\n0.710283 0.548971 0.662503 O\n0.147663 0.750000 0.610408 O\n0.238444 0.250000 0.060890 O\n0.789717 0.951029 0.162503 O\n",
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"formula_full": "Zn8 Si4 O16",
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{
"id": "jvasp-35208",
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"structure_string": "Zn8 Si4 O16\n1.0\n-5.801410 0.000000 0.000000\n-2.900706 -5.816734 -4.241363\n-2.900706 -5.816734 4.241363\nZn Si O\n8 4 16\ndirect\n0.500001 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Zn\n0.750001 0.218796 0.281204 Zn\n0.250002 0.781203 0.718796 Zn\n0.875821 0.624180 0.124180 Zn\n0.624181 0.375820 0.875819 Zn\n0.375821 0.624180 0.124180 Zn\n0.124181 0.375820 0.875819 Zn\n0.879345 0.737884 0.503428 Si\n0.120658 0.262115 0.496571 Si\n0.379343 0.003429 0.237885 Si\n0.620659 0.996571 0.762115 Si\n0.359509 0.368528 0.385600 O\n0.113637 0.631471 0.614400 O\n0.140492 0.114400 0.131472 O\n0.386366 0.885599 0.868528 O\n0.640493 0.631471 0.614400 O\n0.886365 0.368528 0.385600 O\n0.512035 0.230942 0.744991 O\n0.250002 0.535995 0.964004 O\n0.012035 0.244991 0.730942 O\n0.987967 0.755008 0.269058 O\n0.250001 0.035250 0.464749 O\n0.750002 0.964749 0.535250 O\n0.613636 0.114400 0.131472 O\n0.750001 0.464004 0.035996 O\n0.487967 0.769057 0.255009 O\n0.859510 0.885599 0.868528 O\n",
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],
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"volume": 286.2517841565662,
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"formula_full": "Zn8 Si4 O16",
"formula_reduced": "Zn2SiO4",
"formula_anonymous": "AB2C4",
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"spacegroup": 74
},
{
"id": "jvasp-35188",
"created_at": "2022-09-04T14:38:06.802804Z",
"updated_at": "2022-09-04T14:38:06.802830Z",
"structure_string": "Zn8 Si4 O16\n1.0\n4.841702 -0.000000 0.000000\n-0.000000 6.080083 0.000000\n0.000000 0.000000 10.369486\nZn Si O\n8 4 16\ndirect\n0.500000 0.000000 0.500000 Zn\n0.000000 0.500000 0.000000 Zn\n0.500000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Zn\n0.483465 0.750000 0.780953 Zn\n0.016535 0.750000 0.280953 Zn\n0.516535 0.250000 0.219047 Zn\n0.983465 0.250000 0.719048 Zn\n0.427985 0.250000 0.903479 Si\n0.072014 0.250000 0.403478 Si\n0.572014 0.750000 0.096522 Si\n0.927985 0.750000 0.596522 Si\n0.281204 0.467162 0.835237 O\n0.218796 0.032837 0.335237 O\n0.281204 0.032837 0.835237 O\n0.218796 0.467162 0.335237 O\n0.718796 0.532837 0.164763 O\n0.781204 0.967162 0.664764 O\n0.216792 0.250000 0.551240 O\n0.233812 0.750000 0.093100 O\n0.783207 0.750000 0.448760 O\n0.716792 0.750000 0.948761 O\n0.766187 0.250000 0.906901 O\n0.733812 0.250000 0.406901 O\n0.781204 0.532837 0.664764 O\n0.266188 0.750000 0.593100 O\n0.283208 0.250000 0.051240 O\n0.718796 0.967162 0.164763 O\n",
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],
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"volume": 305.2564106142175,
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"formula_full": "Zn8 Si4 O16",
"formula_reduced": "Zn2SiO4",
"formula_anonymous": "AB2C4",
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"spacegroup": 62
},
{
"id": "jvasp-57258",
"created_at": "2022-09-04T14:38:33.570418Z",
"updated_at": "2022-09-04T14:38:33.570446Z",
"structure_string": "Zn4 Si4 O12\n1.0\n5.155287 0.012662 1.428944\n1.759764 6.540591 0.423336\n0.012149 -0.012666 6.786385\nZn Si O\n4 4 12\ndirect\n0.750000 0.890999 0.109000 Zn\n0.750001 0.234412 0.765587 Zn\n0.250000 0.765587 0.234414 Zn\n0.250000 0.109000 0.891000 Zn\n0.234730 0.218516 0.387133 Si\n0.765270 0.781483 0.612867 Si\n0.734730 0.387133 0.218517 Si\n0.265270 0.612866 0.781484 Si\n0.124530 0.140266 0.618364 O\n0.624530 0.618364 0.140267 O\n0.023475 0.616826 0.672401 O\n0.643240 0.963028 0.790387 O\n0.143240 0.790385 0.963030 O\n0.476525 0.327599 0.383174 O\n0.375471 0.381635 0.859734 O\n0.523475 0.672400 0.616827 O\n0.856761 0.209614 0.036971 O\n0.976526 0.383173 0.327600 O\n0.875471 0.859733 0.381636 O\n0.356760 0.036971 0.209614 O\n",
"nsites": 20,
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"elements": [
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],
"chemical_system": "O-Si-Zn",
"density": 4.111927454491251,
"density_atomic": 0.08750488871302985,
"volume": 228.55865876922047,
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"formula_full": "Zn4 Si4 O12",
"formula_reduced": "ZnSiO3",
"formula_anonymous": "ABC3",
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"spacegroup": 15
},
{
"id": "jvasp-116409",
"created_at": "2022-09-04T14:38:31.194122Z",
"updated_at": "2022-09-04T14:38:31.194142Z",
"structure_string": "Zn1 Si1 O1\n1.0\n4.127470 0.000000 -0.000000\n-2.063735 3.574494 0.000000\n0.000000 -0.000000 2.734345\nZn Si O\n1 1 1\ndirect\n0.666667 0.333333 0.000000 Zn\n0.333333 0.666667 0.000000 Si\n0.000000 0.000000 0.000000 O\n",
"nsites": 3,
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"elements": [
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],
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"density": 4.506996437650991,
"density_atomic": 0.0743651480906218,
"volume": 40.34147819277093,
"volume_molar": 8.098068671444565,
"formula_full": "Zn1 Si1 O1",
"formula_reduced": "ZnSiO",
"formula_anonymous": "ABC",
"energy_above_hull": 1.2284475,
"spacegroup": 187
},
{
"id": "jvasp-35191",
"created_at": "2022-09-04T14:37:35.880075Z",
"updated_at": "2022-09-04T14:37:35.880103Z",
"structure_string": "Zn2 Si2 O6\n1.0\n-2.402275 -4.160863 -0.000000\n-4.804551 0.000000 0.000000\n-2.402275 -1.386954 -4.638711\nZn Si O\n2 2 6\ndirect\n0.630816 0.630817 0.107550 Zn\n0.369183 0.369185 0.892450 Zn\n0.839905 0.839908 0.480282 Si\n0.160094 0.160095 0.519717 Si\n0.562571 0.953658 0.284805 O\n0.198967 0.562572 0.284805 O\n0.953656 0.198969 0.284805 O\n0.437428 0.046345 0.715195 O\n0.801032 0.437431 0.715195 O\n0.046343 0.801034 0.715195 O\n",
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"density": 5.06733465575665,
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"formula_full": "Zn2 Si2 O6",
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"spacegroup": 148
},
{
"id": "jvasp-51653",
"created_at": "2022-09-04T14:38:17.305702Z",
"updated_at": "2022-09-04T14:38:17.305720Z",
"structure_string": "Zn4 Si4 O12\n1.0\n5.213088 0.233265 1.172842\n1.480289 6.608784 0.411946\n0.347659 -0.075500 6.775722\nZn Si O\n4 4 12\ndirect\n0.250000 0.765462 0.234538 Zn\n0.250000 0.108846 0.891153 Zn\n0.750001 0.891154 0.108846 Zn\n0.750000 0.234538 0.765461 Zn\n0.234841 0.218524 0.387175 Si\n0.734841 0.387175 0.218524 Si\n0.265160 0.612825 0.781476 Si\n0.765160 0.781476 0.612825 Si\n0.143302 0.790376 0.962994 O\n0.875483 0.859742 0.381611 O\n0.643302 0.962994 0.790376 O\n-0.023192 0.383337 0.327514 O\n0.624518 0.618389 0.140258 O\n0.124518 0.140258 0.618388 O\n0.856699 0.209624 0.037006 O\n0.375483 0.381611 0.859742 O\n0.356699 0.037006 0.209624 O\n0.476808 0.327514 0.383337 O\n0.023193 0.616662 0.672486 O\n0.523193 0.672486 0.616662 O\n",
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"volume": 228.46842938998253,
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"formula_full": "Zn4 Si4 O12",
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"spacegroup": 15
},
{
"id": "jvasp-116407",
"created_at": "2022-09-04T14:38:42.910777Z",
"updated_at": "2022-09-04T14:38:42.910804Z",
"structure_string": "Zn1 Si1 O2\n1.0\n2.926916 0.000000 0.000000\n0.000000 2.926916 0.000000\n0.000000 0.000000 5.006098\nZn Si O\n1 1 2\ndirect\n0.500001 0.500001 0.534223 Zn\n0.000000 0.000000 0.029540 Si\n0.000000 0.000000 0.381995 O\n0.500001 0.500001 0.064241 O\n",
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"formula_full": "Zn1 Si1 O2",
"formula_reduced": "ZnSiO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.3064865,
"spacegroup": 99
},
{
"id": "jvasp-116406",
"created_at": "2022-09-04T14:38:42.313989Z",
"updated_at": "2022-09-04T14:38:42.314012Z",
"structure_string": "Zn1 Si1 O1\n1.0\n6.477130 -0.000000 0.000000\n-0.000000 6.477130 0.000000\n0.000000 0.000000 4.762595\nZn Si O\n1 1 1\ndirect\n-0.022267 0.299047 0.000000 Zn\n0.272530 -0.024681 0.000000 Si\n-0.054683 -0.059002 0.000000 O\n",
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"volume": 199.80616264347475,
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"formula_full": "Zn1 Si1 O1",
"formula_reduced": "ZnSiO",
"formula_anonymous": "ABC",
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"spacegroup": 6
},
{
"id": "jvasp-116408",
"created_at": "2022-09-04T14:38:42.327138Z",
"updated_at": "2022-09-04T14:38:42.327174Z",
"structure_string": "Zn1 Si1 O1\n1.0\n2.777158 -0.000000 0.000000\n-0.000000 2.777158 -0.000000\n0.000000 -0.000000 6.217846\nZn Si O\n1 1 1\ndirect\n0.000000 0.000000 0.600348 Zn\n0.000000 0.000000 0.042377 Si\n0.000000 0.000000 0.297335 O\n",
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"spacegroup": 99
},
{
"id": "jvasp-35209",
"created_at": "2022-09-04T14:37:58.369210Z",
"updated_at": "2022-09-04T14:37:58.369219Z",
"structure_string": "Zn8 Si4 O16\n1.0\n0.000000 5.553072 0.056220\n7.785015 0.000000 0.000000\n0.000000 -4.786520 -7.838373\nZn Si O\n8 4 16\ndirect\n0.238021 0.876983 0.098203 Zn\n0.238021 0.623018 0.598203 Zn\n0.761978 0.123017 0.901797 Zn\n0.761979 0.376983 0.401797 Zn\n0.867669 0.500968 0.810172 Zn\n0.867669 -0.000968 0.310172 Zn\n0.132330 0.499033 0.189828 Zn\n0.132330 0.000968 0.689828 Zn\n0.621890 0.746669 0.462215 Si\n0.621890 0.753332 0.962215 Si\n0.378109 0.253331 0.537784 Si\n0.378110 0.246669 0.037785 Si\n0.387436 0.344077 0.377868 O\n0.387435 0.155923 0.877868 O\n0.828331 0.629615 0.422481 O\n0.828330 0.870386 0.922481 O\n0.171669 0.370386 0.577519 O\n0.171669 0.129615 0.077519 O\n0.291854 0.736904 0.293370 O\n0.245537 0.057005 0.506950 O\n0.708145 0.263096 0.706630 O\n0.708145 0.236904 0.206630 O\n0.754462 0.942996 0.493050 O\n0.754462 0.557005 0.993049 O\n0.612564 0.844077 0.122131 O\n0.245537 0.442995 0.006950 O\n0.291854 0.763097 0.793369 O\n0.612564 0.655924 0.622131 O\n",
"nsites": 28,
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],
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"density": 4.396386824305133,
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"volume": 336.76380112126714,
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"formula_full": "Zn8 Si4 O16",
"formula_reduced": "Zn2SiO4",
"formula_anonymous": "AB2C4",
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"spacegroup": 14
},
{
"id": "jvasp-2376",
"created_at": "2022-09-04T14:36:55.765701Z",
"updated_at": "2022-09-04T14:36:55.765711Z",
"structure_string": "Zn2 Si2 P4\n1.0\n4.934051 0.000000 -2.266816\n-1.041427 4.822892 -2.266816\n0.012167 0.015075 6.529726\nZn Si P\n2 2 4\ndirect\n0.000000 0.000000 0.000000 Zn\n0.250000 0.749999 0.499999 Zn\n0.500000 0.500000 -0.000001 Si\n0.750000 0.249999 0.499999 Si\n0.391923 0.375000 0.249999 P\n0.858076 0.874999 0.249999 P\n0.125000 0.608076 0.750000 P\n0.625000 0.141923 0.750000 P\n",
"nsites": 8,
"nelements": 3,
"elements": [
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],
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"density": 3.315125139426038,
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"volume": 155.72115234724671,
"volume_molar": 11.722183734306553,
"formula_full": "Zn2 Si2 P4",
"formula_reduced": "ZnSiP2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.7885875,
"spacegroup": 122
}
]
}