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{
"id": "jvasp-116409",
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"updated_at": "2022-09-04T14:38:31.194142Z",
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{
"id": "jvasp-116408",
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"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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{
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"structure_string": "Zn2 Si2 Ni2 O10\n1.0\n5.066200 -0.236604 0.058118\n-1.353799 5.142135 -0.011580\n-1.676635 -2.311354 6.202952\nZn Si Ni O\n2 2 2 10\ndirect\n0.344044 0.197522 0.789458 Zn\n0.664438 0.792301 0.239638 Zn\n0.691100 0.810744 0.748488 Si\n0.317392 0.179102 0.280622 Si\n0.004249 0.494922 0.514555 Ni\n0.004251 0.494925 0.014554 Ni\n0.715263 0.641568 0.921038 O\n0.972635 0.840854 0.657608 O\n0.293234 0.348280 0.108074 O\n0.035860 0.148990 0.371504 O\n0.616349 0.295101 0.486741 O\n0.305115 0.861201 0.148821 O\n0.392150 0.694758 0.542371 O\n0.703386 0.128646 0.880289 O\n0.871412 0.535143 0.253490 O\n0.137100 0.454710 0.775618 O\n",
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"volume": 160.1494595992253,
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"formula_reduced": "ZnSiNiO5",
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"spacegroup": 2
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{
"id": "jvasp-104646",
"created_at": "2022-09-04T14:36:55.215921Z",
"updated_at": "2022-09-04T14:36:55.215947Z",
"structure_string": "Zn1 Si1 Ni2\n1.0\n3.486691 0.000000 2.013042\n1.162230 3.287284 2.013042\n-0.000000 0.000000 4.026085\nZn Si Ni\n1 1 2\ndirect\n0.500000 0.499999 0.499999 Zn\n0.000000 0.000000 0.000000 Si\n0.250000 0.250000 0.250000 Ni\n0.750000 0.749999 0.749999 Ni\n",
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"elements": [
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"spacegroup": 225
},
{
"id": "jvasp-106316",
"created_at": "2022-09-04T14:36:33.539578Z",
"updated_at": "2022-09-04T14:36:33.539600Z",
"structure_string": "Zn1 Si1 Ni2\n1.0\n2.768776 0.000000 -0.000000\n0.000000 2.768776 -0.000000\n0.000000 0.000000 6.140949\nZn Si Ni\n1 1 2\ndirect\n0.500001 0.500001 0.500000 Zn\n0.500001 0.500001 0.000000 Si\n0.000000 0.000000 0.782418 Ni\n0.000000 0.000000 0.217582 Ni\n",
"nsites": 4,
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"volume": 47.07725525279136,
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"formula_full": "Zn1 Si1 Ni2",
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"formula_anonymous": "ABC2",
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"spacegroup": 123
},
{
"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",
"formula_reduced": "ZnSiN2",
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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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"elements": [
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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",
"nsites": 5,
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"elements": [
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],
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"density": 4.040716434459662,
"density_atomic": 0.08133301050704984,
"volume": 61.47565384373183,
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"formula_full": "Zn1 Si2 N2",
"formula_reduced": "Zn(SiN)2",
"formula_anonymous": "AB2C2",
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"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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"elements": [
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"density_atomic": 0.0776116338482482,
"volume": 38.65399877891779,
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"formula_full": "Zn1 Si1 N1",
"formula_reduced": "ZnSiN",
"formula_anonymous": "ABC",
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"spacegroup": 187
},
{
"id": "jvasp-2256",
"created_at": "2022-09-04T14:36:54.714596Z",
"updated_at": "2022-09-04T14:36:54.714620Z",
"structure_string": "Zn2 Si2 As4\n1.0\n5.157559 0.000000 -2.360607\n-1.080446 5.043118 -2.360607\n0.008168 0.010104 6.832381\nZn Si As\n2 2 4\ndirect\n0.000000 0.000000 0.000000 Zn\n0.250000 0.750000 0.499999 Zn\n0.500000 0.500000 -0.000001 Si\n0.750000 0.250000 0.499999 Si\n0.863066 0.875000 0.249999 As\n0.625000 0.136933 0.749999 As\n0.125000 0.613066 0.749999 As\n0.386933 0.375000 0.250000 As\n",
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"volume": 177.95747507047898,
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"formula_full": "Zn2 Si2 As4",
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},
{
"id": "jvasp-119031",
"created_at": "2022-09-04T14:38:32.957610Z",
"updated_at": "2022-09-04T14:38:32.957645Z",
"structure_string": "Zn2 Si2 Ag4 S8\n1.0\n6.589301 0.000000 0.000000\n-0.000000 5.050998 4.052081\n-0.000000 0.032740 10.203405\nZn Si Ag S\n2 2 4 8\ndirect\n0.686190 0.598741 0.679744 Zn\n0.313810 0.598741 0.179744 Zn\n0.816372 0.355685 0.425846 Si\n0.183627 0.355685 0.925846 Si\n0.679102 0.087708 0.174371 Ag\n0.320898 0.087708 0.674371 Ag\n0.848634 0.859051 0.919004 Ag\n0.151366 0.859051 0.419004 Ag\n0.872855 0.469327 0.915862 S\n0.127145 0.469327 0.415862 S\n0.682519 0.265631 0.648498 S\n0.317481 0.265631 0.148498 S\n0.800610 0.011480 0.438535 S\n0.199390 0.011480 0.938535 S\n0.660907 0.675720 0.200092 S\n0.339093 0.675720 0.700092 S\n",
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],
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"volume": 338.72112754161924,
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"formula_full": "Zn2 Si2 Ag4 S8",
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},
{
"id": "jvasp-98655",
"created_at": "2022-09-04T14:36:04.026744Z",
"updated_at": "2022-09-04T14:36:04.026763Z",
"structure_string": "Zn2 Si2 Ag4 O8\n1.0\n5.525459 0.000000 -0.074736\n0.000000 5.487073 0.000000\n-0.042900 0.000000 6.991418\nZn Si Ag O\n2 2 4 8\ndirect\n0.495836 0.808980 0.502225 Zn\n0.995836 0.191019 0.002225 Zn\n0.994392 0.687641 0.254411 Si\n0.494392 0.312359 0.754412 Si\n0.981304 0.199772 0.512347 Ag\n0.481304 0.800228 0.012347 Ag\n0.498569 0.298626 0.243674 Ag\n-0.001431 0.701373 0.743675 Ag\n0.201755 0.289983 0.790895 O\n0.701755 0.710017 0.290895 O\n0.146063 0.795250 0.441915 O\n0.646063 0.204750 0.941915 O\n0.571913 0.600406 0.723727 O\n0.562167 0.156290 0.559803 O\n0.071913 0.399594 0.223727 O\n0.062167 0.843710 0.059803 O\n",
"nsites": 16,
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"formula_full": "Zn2 Si2 Ag4 O8",
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}