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{
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{
"id": "jvasp-93311",
"created_at": "2022-09-04T14:36:32.041697Z",
"updated_at": "2022-09-04T14:36:32.041715Z",
"structure_string": "Na2 Zn2 N2\n1.0\n3.443537 0.000000 0.000000\n-1.721769 2.982152 0.000000\n0.000000 0.000000 8.541644\nNa Zn N\n2 2 2\ndirect\n0.666659 0.333318 0.760430 Na\n0.333341 0.666682 0.260430 Na\n0.000001 0.000000 0.530143 Zn\n-0.000001 -0.000000 0.030143 Zn\n0.333332 0.666665 0.554067 N\n0.666668 0.333334 0.054067 N\n",
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{
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"structure_string": "Na2 Ti1 N2\n1.0\n3.131094 0.000117 0.000357\n-1.565646 2.711583 0.000192\n-0.001632 -0.001288 8.773121\nNa Ti N\n2 1 2\ndirect\n0.666678 0.333326 0.294196 Na\n0.333319 0.666673 0.705804 Na\n0.000000 0.000000 0.000000 Ti\n0.666639 0.333325 0.877090 N\n0.333359 0.666674 0.122910 N\n",
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{
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"structure_string": "Na1 Ta1 N2\n1.0\n3.029746 0.001837 5.104927\n1.402209 2.685736 5.104927\n0.003029 0.001837 5.936298\nNa Ta N\n1 1 2\ndirect\n0.500000 0.500002 0.499999 Na\n0.000000 0.000000 0.000000 Ta\n0.731468 0.731471 0.731467 N\n0.268532 0.268533 0.268531 N\n",
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{
"id": "jvasp-102823",
"created_at": "2022-09-04T14:36:42.977506Z",
"updated_at": "2022-09-04T14:36:42.977539Z",
"structure_string": "Na2 Sr2 N2\n1.0\n4.012021 -0.000000 0.000000\n-2.006010 3.474509 0.000000\n0.000000 0.000000 8.728032\nNa Sr N\n2 2 2\ndirect\n0.666667 0.333333 0.729605 Na\n0.333333 0.666667 0.229605 Na\n0.000001 0.000001 0.499034 Sr\n0.999999 0.999999 -0.000966 Sr\n0.333333 0.666667 0.616000 N\n0.666667 0.333333 0.116000 N\n",
"nsites": 6,
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"elements": [
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"density": 3.401586874782118,
"density_atomic": 0.04931491421497011,
"volume": 121.66704729212792,
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"formula_full": "Na2 Sr2 N2",
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{
"id": "jvasp-7746",
"created_at": "2022-09-04T14:37:07.037229Z",
"updated_at": "2022-09-04T14:37:07.037257Z",
"structure_string": "Na2 Sn2 N2\n1.0\n1.683224 -2.915429 0.000000\n1.683224 2.915429 0.000000\n-0.000000 -0.000000 10.876311\nNa Sn N\n2 2 2\ndirect\n0.666666 0.333332 0.756147 Na\n0.333332 0.666666 0.256147 Na\n0.000000 0.000000 0.499820 Sn\n0.000000 0.000000 -0.000180 Sn\n0.666666 0.333332 0.399393 N\n0.333332 0.666666 0.899393 N\n",
"nsites": 6,
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"elements": [
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"density_atomic": 0.05620762733621309,
"volume": 106.74707836554343,
"volume_molar": 10.714098860600886,
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},
{
"id": "jvasp-10472",
"created_at": "2022-09-04T14:37:06.265243Z",
"updated_at": "2022-09-04T14:37:06.265270Z",
"structure_string": "Na2 Si4 N6\n1.0\n4.912568 -0.000000 0.000000\n-0.000000 4.783947 -2.730841\n0.000000 -0.004063 5.508504\nNa Si N\n2 4 6\ndirect\n0.485371 0.663156 0.663155 Na\n0.985371 0.336846 0.336845 Na\n0.011949 0.016159 0.675210 Si\n0.511949 0.983843 0.324790 Si\n0.511949 0.324791 0.983841 Si\n0.011949 0.675211 0.016159 Si\n0.967682 0.771040 0.771039 N\n0.467682 0.228961 0.228961 N\n0.360025 0.655888 0.092549 N\n0.360025 0.092549 0.655887 N\n0.860025 0.907452 0.344113 N\n0.860025 0.344113 0.907451 N\n",
"nsites": 12,
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"elements": [
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],
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"density": 3.1100505414187976,
"density_atomic": 0.09273326185341228,
"volume": 129.40340671903627,
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"formula_full": "Na2 Si4 N6",
"formula_reduced": "NaSi2N3",
"formula_anonymous": "AB2C3",
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"spacegroup": 36
},
{
"id": "jvasp-99454",
"created_at": "2022-09-04T14:36:35.699190Z",
"updated_at": "2022-09-04T14:36:35.699213Z",
"structure_string": "Na1 Sb1 N2\n1.0\n3.097354 0.000008 0.841364\n1.434295 2.745138 0.841669\n0.019528 0.011678 6.048255\nNa Sb N\n1 1 2\ndirect\n0.500000 0.500001 0.500000 Na\n0.000000 0.000000 0.000000 Sb\n0.267148 0.267075 0.198703 N\n0.732852 0.732927 0.801297 N\n",
"nsites": 4,
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"elements": [
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"volume": 51.36475740074491,
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"formula_full": "Na1 Sb1 N2",
"formula_reduced": "NaSbN2",
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"spacegroup": 166
},
{
"id": "jvasp-10676",
"created_at": "2022-09-04T14:37:02.963863Z",
"updated_at": "2022-09-04T14:37:02.963883Z",
"structure_string": "Na8 Re2 N6\n1.0\n5.652827 0.000000 2.069780\n2.431801 5.328388 2.112625\n-0.016179 0.133438 8.798362\nNa Re N\n8 2 6\ndirect\n0.017753 0.226609 0.136384 Na\n0.795567 0.237696 0.524602 Na\n0.252009 0.754325 0.457447 Na\n0.536219 0.254325 0.957447 Na\n0.036283 0.735051 0.860330 Na\n0.368336 0.235050 0.360330 Na\n0.442136 0.737696 0.024602 Na\n0.619254 0.726609 0.636385 Na\n0.142202 0.272677 0.749289 Re\n0.835831 0.772677 0.249289 Re\n0.384363 0.396488 0.691166 N\n0.527983 0.896488 0.191166 N\n0.171453 0.051128 0.643691 N\n0.133726 0.551128 0.143692 N\n0.832884 0.452328 0.869192 N\n0.845597 0.952328 0.369192 N\n",
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"elements": [
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"Re",
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],
"chemical_system": "N-Na-Re",
"density": 4.023819064864935,
"density_atomic": 0.06054478685550639,
"volume": 264.2671785794691,
"volume_molar": 9.946588422835122,
"formula_full": "Na8 Re2 N6",
"formula_reduced": "Na4ReN3",
"formula_anonymous": "AB3C4",
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"spacegroup": 9
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{
"id": "jvasp-3117",
"created_at": "2022-09-04T14:35:51.206891Z",
"updated_at": "2022-09-04T14:35:51.206924Z",
"structure_string": "Na2 P2 N4\n1.0\n4.315191 -0.010883 -2.473933\n-2.864108 4.066637 -0.026183\n-0.007666 0.010883 4.974049\nNa P N\n2 2 4\ndirect\n-0.000001 0.500000 0.500000 Na\n0.499999 0.250000 0.750000 Na\n0.500000 0.750001 0.250001 P\n0.000000 0.000000 0.000000 P\n0.623526 0.875001 -0.001474 N\n0.876474 0.001475 0.625000 N\n0.376474 0.375000 0.251475 N\n0.123525 0.748526 0.125000 N\n",
"nsites": 8,
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"volume": 87.13235471060716,
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{
"id": "jvasp-59026",
"created_at": "2022-09-04T14:38:08.498593Z",
"updated_at": "2022-09-04T14:38:08.498618Z",
"structure_string": "Na2 P8 N14\n1.0\n5.087180 -0.002826 0.921892\n0.884641 6.974944 2.648799\n-0.000762 -0.008955 7.513222\nNa P N\n2 8 14\ndirect\n0.750000 0.211222 0.788777 Na\n0.250000 0.788777 0.211223 Na\n0.802494 0.751914 0.905922 P\n0.697506 0.094077 0.248086 P\n0.197506 0.248086 0.094077 P\n0.302494 0.905922 0.751914 P\n0.785300 0.458312 0.296559 P\n0.714700 0.703440 0.541687 P\n0.214701 0.541687 0.703441 P\n0.285300 0.296559 0.458313 P\n0.606641 0.266465 0.363176 N\n0.893359 0.636824 0.733535 N\n0.186721 0.107401 0.609820 N\n0.313280 0.390180 0.892599 N\n0.813279 0.892598 0.390180 N\n0.686720 0.609820 0.107401 N\n0.250000 0.480747 0.519253 N\n0.072783 0.820036 0.920872 N\n0.572783 0.920872 0.820035 N\n0.927217 0.179964 0.079128 N\n0.106641 0.363176 0.266465 N\n0.750000 0.519253 0.480747 N\n0.427217 0.079127 0.179964 N\n0.393359 0.733535 0.636824 N\n",
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{
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"created_at": "2022-09-04T14:37:01.817178Z",
"updated_at": "2022-09-04T14:37:01.817198Z",
"structure_string": "Na8 W2 N4 O4\n1.0\n5.870083 0.011829 -0.010713\n2.055656 5.529214 0.009567\n2.845947 0.078898 8.460167\nNa W N O\n8 2 4 4\ndirect\n0.242026 0.763371 0.983017 Na\n0.757974 0.236628 0.016983 Na\n0.053754 0.759738 0.403590 Na\n0.946246 0.240262 0.596411 Na\n0.479184 0.741377 0.553151 Na\n0.520816 0.258623 0.446850 Na\n0.612893 0.722378 0.186834 Na\n0.387107 0.277621 0.813167 Na\n0.159803 0.282185 0.235059 W\n0.840197 0.717815 0.764942 W\n0.297805 0.037930 0.360275 N\n0.157643 0.542598 0.645522 N\n0.842357 0.457402 0.354479 N\n0.702195 0.962070 0.639726 N\n0.640416 0.511380 0.816448 O\n0.150502 0.158204 0.051971 O\n0.359584 0.488620 0.183553 O\n0.849498 0.841796 0.948030 O\n",
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"volume": 274.5481873544117,
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"formula_full": "Na8 W2 N4 O4",
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{
"id": "jvasp-49191",
"created_at": "2022-09-04T14:37:18.575286Z",
"updated_at": "2022-09-04T14:37:18.575311Z",
"structure_string": "Na3 Rh1 N6 O12\n1.0\n6.426259 -0.009824 2.037804\n1.488718 6.251449 2.037804\n-0.012457 -0.009824 6.741609\nNa Rh N O\n3 1 6 12\ndirect\n0.267438 0.267439 0.267438 Na\n0.732561 0.732563 0.732561 Na\n0.500000 0.500001 0.499999 Na\n0.000000 0.000000 0.000000 Rh\n0.203550 0.203551 0.825661 N\n0.796450 0.174340 0.796449 N\n0.825661 0.203551 0.203549 N\n0.174338 0.796451 0.796449 N\n0.796450 0.796451 0.174338 N\n0.203550 0.825662 0.203549 N\n0.912506 0.286401 0.286400 O\n0.087494 0.713600 0.713599 O\n0.713600 0.713600 0.087493 O\n0.713599 0.087495 0.713599 O\n0.243324 0.243325 0.625908 O\n0.625908 0.243325 0.243323 O\n0.374092 0.756677 0.756675 O\n0.756676 0.374093 0.756675 O\n0.756676 0.756677 0.374091 O\n0.286400 0.912506 0.286400 O\n0.286400 0.286401 0.912505 O\n0.243324 0.625909 0.243323 O\n",
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],
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"formula_full": "Na3 Rh1 N6 O12",
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}
]
}