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{
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{
"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",
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{
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"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",
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"elements": [
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"volume": 434.10056727563654,
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"formula_full": "Sr2 Si14 N20",
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{
"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",
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"elements": [
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],
"chemical_system": "N-Si-Sr",
"density": 4.26254593314528,
"density_atomic": 0.07144405256159717,
"volume": 223.95146168682447,
"volume_molar": 8.429170160536275,
"formula_full": "Sr4 Si4 N8",
"formula_reduced": "SrSiN2",
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"energy_above_hull": 2.8804928525,
"spacegroup": 14
},
{
"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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],
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"density": 4.087813018107357,
"density_atomic": 0.05811897713927507,
"volume": 172.06083954361782,
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"formula_full": "Si4 Te2 N4",
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"spacegroup": 36
},
{
"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",
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"density": 4.774086831669304,
"density_atomic": 0.09464478576523974,
"volume": 169.05315882574834,
"volume_molar": 6.362886989820581,
"formula_full": "Zn4 Si4 N8",
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"formula_anonymous": "ABC2",
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"spacegroup": 33
},
{
"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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"density": 5.278655219317163,
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"volume": 38.223488079342026,
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"formula_full": "Zn1 Si1 N2",
"formula_reduced": "ZnSiN2",
"formula_anonymous": "ABC2",
"energy_above_hull": null,
"spacegroup": 99
},
{
"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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"density_atomic": 0.08133301050704984,
"volume": 61.47565384373183,
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"formula_full": "Zn1 Si2 N2",
"formula_reduced": "Zn(SiN)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": null,
"spacegroup": 115
},
{
"id": "jvasp-121244",
"created_at": "2022-09-04T14:38:55.490314Z",
"updated_at": "2022-09-04T14:38:55.490333Z",
"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-116579",
"created_at": "2022-09-04T14:38:42.238181Z",
"updated_at": "2022-09-04T14:38:42.238209Z",
"structure_string": "Zr10 Si6 N2\n1.0\n7.934862 -0.000000 0.000000\n-3.967430 6.871792 0.000000\n-0.000000 -0.000000 5.629274\nZr Si N\n10 6 2\ndirect\n0.233335 0.000000 0.750000 Zr\n0.333333 0.666666 -0.000000 Zr\n0.666666 0.333333 0.500000 Zr\n0.333333 0.666666 0.500000 Zr\n0.233335 0.233335 0.250000 Zr\n0.666666 0.333333 -0.000000 Zr\n-0.000000 0.766664 0.250000 Zr\n-0.000000 0.233335 0.750000 Zr\n0.766665 0.000000 0.250000 Zr\n0.766664 0.766664 0.750000 Zr\n0.595411 0.000000 0.750000 Si\n0.404589 0.000000 0.250000 Si\n-0.000000 0.595411 0.750000 Si\n-0.000000 0.404589 0.250000 Si\n0.404589 0.404589 0.750000 Si\n0.595411 0.595411 0.250000 Si\n0.000000 0.000000 0.500000 N\n0.000000 0.000000 0.000000 N\n",
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"elements": [
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"volume": 306.9458540279231,
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{
"id": "jvasp-122874",
"created_at": "2022-09-04T14:38:54.440302Z",
"updated_at": "2022-09-04T14:38:54.440329Z",
"structure_string": "Sm3 N1\n1.0\n1.777238 -3.078266 0.000000\n1.777238 3.078266 -0.000000\n0.000000 0.000000 9.209571\nSm N\n3 1\ndirect\n0.000000 0.000000 0.500000 Sm\n0.333333 0.666668 0.151097 Sm\n0.666668 0.333333 0.848903 Sm\n0.000000 0.000000 0.000000 N\n",
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},
{
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"created_at": "2022-09-04T14:36:07.963533Z",
"updated_at": "2022-09-04T14:36:07.963551Z",
"structure_string": "Sm1 N1\n1.0\n3.098858 -0.000000 1.789127\n1.032953 2.921631 1.789127\n0.000000 0.000000 3.578254\nSm N\n1 1\ndirect\n0.500000 0.500000 0.500001 Sm\n0.000000 0.000000 0.000000 N\n",
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},
{
"id": "jvasp-104657",
"created_at": "2022-09-04T14:36:56.060345Z",
"updated_at": "2022-09-04T14:36:56.060364Z",
"structure_string": "Sm3 Sn1 N1\n1.0\n4.915091 -0.000000 0.000000\n0.000000 4.915091 0.000000\n-0.000000 -0.000000 4.915091\nSm Sn N\n3 1 1\ndirect\n0.500000 0.000000 -0.000000 Sm\n-0.000000 0.500000 -0.000000 Sm\n0.000000 0.000000 0.500000 Sm\n0.500000 0.500000 0.500000 Sn\n0.000000 0.000000 0.000000 N\n",
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"formula_full": "Sm3 Sn1 N1",
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}
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}