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{
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{
"id": "jvasp-121245",
"created_at": "2022-09-04T14:38:55.249212Z",
"updated_at": "2022-09-04T14:38:55.249239Z",
"structure_string": "Zn1 Si1 N2\n1.0\n2.778580 -0.000000 -0.000000\n-0.000000 2.778580 -0.000000\n0.000000 0.000000 4.950904\nZn Si N\n1 1 2\ndirect\n0.499999 0.499999 0.550496 Zn\n-0.000000 0.000000 0.071181 Si\n-0.000000 0.000000 0.417351 N\n0.499999 0.499999 -0.029030 N\n",
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{
"id": "jvasp-121244",
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"structure_string": "Zn1 Si1 N1\n1.0\n4.191707 -0.000000 -0.000000\n-2.095853 3.630125 0.000000\n0.000000 -0.000000 2.540282\nZn Si N\n1 1 1\ndirect\n0.666667 0.333333 0.000000 Zn\n0.333334 0.666667 0.000000 Si\n0.000000 0.000000 0.000000 N\n",
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{
"id": "jvasp-121246",
"created_at": "2022-09-04T14:38:54.900629Z",
"updated_at": "2022-09-04T14:38:54.900651Z",
"structure_string": "Zn1 Si2 N2\n1.0\n2.961262 0.000000 0.000000\n-0.000000 2.961262 -0.000000\n0.000000 0.000000 7.010508\nZn Si N\n1 2 2\ndirect\n0.000000 0.000000 0.500000 Zn\n0.499999 0.499999 0.837482 Si\n0.499999 0.499999 0.162518 Si\n0.000000 0.499999 0.302503 N\n0.499999 0.000000 0.697498 N\n",
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"spacegroup": 115
},
{
"id": "jvasp-35206",
"created_at": "2022-09-04T14:38:07.909873Z",
"updated_at": "2022-09-04T14:38:07.909894Z",
"structure_string": "Zn4 Si4 N8\n1.0\n5.074498 0.000000 0.000000\n0.000000 5.283628 0.000000\n0.000000 0.000000 6.305187\nZn Si N\n4 4 8\ndirect\n0.994226 0.916332 0.375303 Zn\n0.494226 0.083668 0.624697 Zn\n0.494226 0.583669 0.875303 Zn\n0.994226 0.416332 0.124697 Zn\n0.493921 0.572705 0.374913 Si\n0.993921 0.427295 0.625087 Si\n0.993921 0.927295 0.874914 Si\n0.493921 0.072705 0.125087 Si\n0.148580 0.555503 0.401427 N\n0.648580 0.444498 0.598573 N\n0.648580 0.944498 0.901428 N\n0.148580 0.055503 0.098573 N\n0.089274 0.607922 0.847943 N\n0.589274 0.392079 0.152057 N\n0.589274 0.892079 0.347943 N\n0.089274 0.107921 0.652058 N\n",
"nsites": 16,
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"elements": [
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"density": 4.774086831669304,
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"volume": 169.05315882574834,
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"formula_full": "Zn4 Si4 N8",
"formula_reduced": "ZnSiN2",
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"spacegroup": 33
},
{
"id": "jvasp-100051",
"created_at": "2022-09-04T14:36:16.898232Z",
"updated_at": "2022-09-04T14:36:16.898258Z",
"structure_string": "Si4 Te2 N4\n1.0\n6.693822 -0.004874 0.000000\n-2.385606 5.128013 -0.000000\n-0.000000 -0.000000 5.014249\nSi Te N\n4 2 4\ndirect\n0.605393 0.158843 0.862814 Si\n0.394606 0.553449 0.862814 Si\n0.394606 0.841157 0.362814 Si\n0.605393 0.446551 0.362814 Si\n-0.000001 0.763586 0.467545 Te\n-0.000000 0.236414 0.967545 Te\n0.525422 0.144603 0.200214 N\n0.474577 0.619180 0.200214 N\n0.474577 0.855397 0.700214 N\n0.525422 0.380820 0.700214 N\n",
"nsites": 10,
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"elements": [
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"chemical_system": "N-Si-Te",
"density": 4.087813018107357,
"density_atomic": 0.05811897713927507,
"volume": 172.06083954361782,
"volume_molar": 10.361745950154406,
"formula_full": "Si4 Te2 N4",
"formula_reduced": "Si2TeN2",
"formula_anonymous": "AB2C2",
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"spacegroup": 36
},
{
"id": "jvasp-96552",
"created_at": "2022-09-04T14:35:50.825305Z",
"updated_at": "2022-09-04T14:35:50.825320Z",
"structure_string": "Sr2 Si14 N20\n1.0\n6.775197 0.000000 0.000000\n0.000000 6.617117 -1.910175\n0.000000 -0.007902 9.685051\nSr Si N\n2 14 20\ndirect\n0.947620 0.050361 0.336392 Sr\n0.052381 0.050362 0.836392 Sr\n0.973245 0.647391 0.983901 Si\n0.376072 0.149803 0.190068 Si\n0.973882 0.460103 0.671894 Si\n0.629637 0.515433 0.312154 Si\n0.364849 0.333683 0.506465 Si\n0.619379 0.703479 0.616071 Si\n0.605290 0.891070 0.926158 Si\n0.370363 0.515434 0.812154 Si\n0.623928 0.149803 0.690068 Si\n0.026756 0.647391 0.483901 Si\n0.380622 0.703479 0.116071 Si\n0.394711 0.891070 0.426158 Si\n0.026119 0.460102 0.171894 Si\n0.635151 0.333683 0.006465 Si\n0.501605 0.712827 0.775619 N\n0.415523 0.295527 0.675008 N\n0.538302 0.500871 0.476013 N\n0.117216 0.554033 0.827811 N\n0.870432 0.681253 0.635899 N\n0.882784 0.554033 0.327811 N\n0.835168 0.846680 0.979329 N\n0.617600 0.112018 0.866379 N\n0.844835 0.250983 0.668218 N\n0.129569 0.681253 0.135899 N\n0.584478 0.295527 0.175008 N\n0.498395 0.712827 0.275619 N\n0.155165 0.250983 0.168218 N\n0.422028 0.920274 0.060895 N\n0.868678 0.431917 0.022423 N\n0.382400 0.112018 0.366379 N\n0.461699 0.500871 0.976013 N\n0.164833 0.846680 0.479329 N\n0.577973 0.920274 0.560895 N\n0.131322 0.431917 0.522423 N\n",
"nsites": 36,
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"elements": [
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],
"chemical_system": "N-Si-Sr",
"density": 3.2459881476937014,
"density_atomic": 0.08293009204279947,
"volume": 434.10056727563654,
"volume_molar": 7.261707555915925,
"formula_full": "Sr2 Si14 N20",
"formula_reduced": "SrSi7N10",
"formula_anonymous": "AB7C10",
"energy_above_hull": 5.024241056111111,
"spacegroup": 7
},
{
"id": "jvasp-121243",
"created_at": "2022-09-04T14:38:50.035526Z",
"updated_at": "2022-09-04T14:38:50.035551Z",
"structure_string": "Sr1 Si1 N1\n1.0\n4.233418 0.000000 0.000000\n0.000000 4.233418 0.000000\n0.000000 0.000000 8.466836\nSr Si N\n1 1 1\ndirect\n0.000000 0.000000 0.708884 Sr\n0.000000 0.000000 -0.037776 Si\n0.000000 0.000000 0.207089 N\n",
"nsites": 3,
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"elements": [
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"density_atomic": 0.019770506832558536,
"volume": 151.74117818059824,
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"formula_full": "Sr1 Si1 N1",
"formula_reduced": "SrSiN",
"formula_anonymous": "ABC",
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"spacegroup": 99
},
{
"id": "jvasp-121242",
"created_at": "2022-09-04T14:38:50.008149Z",
"updated_at": "2022-09-04T14:38:50.008164Z",
"structure_string": "Sr1 Si1 N2\n1.0\n3.095649 0.000000 -0.000000\n-0.000000 3.095649 0.000000\n-0.000000 -0.000000 5.800654\nSr Si N\n1 1 2\ndirect\n0.500000 0.500000 0.548498 Sr\n0.000000 0.000000 0.085978 Si\n0.000000 0.000000 0.372733 N\n0.500000 0.500000 0.002789 N\n",
"nsites": 4,
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"elements": [
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"formula_full": "Sr1 Si1 N2",
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"spacegroup": 99
},
{
"id": "jvasp-9611",
"created_at": "2022-09-04T14:38:14.775902Z",
"updated_at": "2022-09-04T14:38:14.775925Z",
"structure_string": "Sr4 Si4 N8\n1.0\n0.000000 5.539043 0.010519\n7.344466 0.000000 0.000000\n0.000000 -2.317197 -5.509421\nSr Si N\n4 4 8\ndirect\n0.323525 0.074274 0.660227 Sr\n0.176474 0.574275 0.339773 Sr\n0.676474 0.925726 0.339773 Sr\n0.823525 0.425726 0.660227 Sr\n0.930345 0.858121 0.892993 Si\n0.069653 0.141879 0.107007 Si\n0.569653 0.358121 0.107007 Si\n0.430346 0.641880 0.892993 Si\n0.111062 0.720308 0.783284 N\n0.388937 0.220308 0.216715 N\n0.888937 0.279693 0.216715 N\n0.611062 0.779693 0.783284 N\n0.919332 0.088463 0.791311 N\n0.419332 0.411537 0.791311 N\n0.080667 0.911538 0.208689 N\n0.580666 0.588463 0.208689 N\n",
"nsites": 16,
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"density": 4.26254593314528,
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"volume": 223.95146168682447,
"volume_molar": 8.429170160536275,
"formula_full": "Sr4 Si4 N8",
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},
{
"id": "jvasp-56757",
"created_at": "2022-09-04T14:37:00.131928Z",
"updated_at": "2022-09-04T14:37:00.131960Z",
"structure_string": "Sr1 Si6 N8\n1.0\n4.511268 -0.000000 1.783651\n1.888000 6.046595 1.821656\n0.002221 0.000377 6.591226\nSr Si N\n1 6 8\ndirect\n0.343218 0.500000 0.500001 Sr\n0.012320 0.043361 0.635863 Si\n0.691546 0.364137 0.956640 Si\n0.012321 0.635863 0.043361 Si\n0.691546 0.956639 0.364138 Si\n0.486672 0.873267 0.873268 Si\n0.233205 0.126733 0.126733 Si\n0.783996 0.292138 0.707862 N\n0.403390 0.985090 0.620732 N\n0.889005 0.816584 0.816585 N\n0.009212 0.014909 0.379269 N\n0.783996 0.707862 0.292139 N\n0.403390 0.620731 0.985092 N\n0.009212 0.379269 0.014910 N\n0.522173 0.183416 0.183416 N\n",
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"volume": 179.76843186793417,
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"formula_full": "Sr1 Si6 N8",
"formula_reduced": "Sr(Si3N4)2",
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},
{
"id": "jvasp-22438",
"created_at": "2022-09-04T14:37:55.993631Z",
"updated_at": "2022-09-04T14:37:55.993651Z",
"structure_string": "Sr4 Si10 N16\n1.0\n5.749045 0.000000 0.000000\n0.000000 6.867364 0.000000\n0.000000 0.000000 9.408426\nSr Si N\n4 10 16\ndirect\n0.500000 0.117160 0.867193 Sr\n0.000000 0.882840 0.367193 Sr\n0.500000 0.128392 0.500304 Sr\n0.000000 0.871607 0.000304 Sr\n0.252074 0.667103 0.683077 Si\n0.247926 0.332896 0.183077 Si\n0.747927 0.667103 0.683077 Si\n0.000000 0.054854 0.677356 Si\n0.752074 0.332896 0.183077 Si\n0.000000 0.419804 0.461027 Si\n0.500000 0.580195 0.961027 Si\n0.000000 0.401716 0.902180 Si\n0.500000 0.598283 0.402180 Si\n0.500000 0.945145 0.177356 Si\n0.250645 0.555740 0.511230 N\n0.248284 0.913473 0.671832 N\n0.251717 0.086526 0.171832 N\n0.751717 0.913473 0.671832 N\n0.748284 0.086526 0.171832 N\n0.249356 0.444259 0.011230 N\n0.750645 0.444259 0.011230 N\n0.500000 0.572941 0.771735 N\n0.000000 0.586592 0.773592 N\n0.500000 0.413407 0.273592 N\n0.000000 0.173725 0.838629 N\n0.500000 0.826274 0.338629 N\n0.000000 0.427058 0.271735 N\n0.000000 0.189499 0.521061 N\n0.749356 0.555740 0.511230 N\n0.500000 0.810501 0.021061 N\n",
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"elements": [
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],
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"density_atomic": 0.0807641275090703,
"volume": 371.45204096497935,
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"formula_full": "Sr4 Si10 N16",
"formula_reduced": "Sr2Si5N8",
"formula_anonymous": "A2B5C8",
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"spacegroup": 31
},
{
"id": "jvasp-101755",
"created_at": "2022-09-04T14:36:36.389865Z",
"updated_at": "2022-09-04T14:36:36.389892Z",
"structure_string": "Si2 Sn2 N4\n1.0\n4.389389 0.000000 2.335809\n1.533058 4.449958 2.411233\n0.002014 -0.000093 5.288330\nSi Sn N\n2 2 4\ndirect\n0.620143 0.879475 0.879475 Si\n0.879094 0.120526 0.120525 Si\n0.178609 0.369720 0.369719 Sn\n0.418047 0.630282 0.630280 Sn\n0.935036 0.909674 0.909672 N\n0.254383 0.090327 0.090327 N\n0.627345 0.500000 -0.000000 N\n0.627343 0.000000 0.500000 N\n",
"nsites": 8,
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"elements": [
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],
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"density": 5.621463403745112,
"density_atomic": 0.07746343328341003,
"volume": 103.27453433068169,
"volume_molar": 7.774172283285219,
"formula_full": "Si2 Sn2 N4",
"formula_reduced": "SiSnN2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.3197141999999995,
"spacegroup": 46
}
]
}