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{
"id": "jvasp-79259",
"created_at": "2022-09-04T14:37:12.629952Z",
"updated_at": "2022-09-04T14:37:12.629984Z",
"structure_string": "Ca1 Al1 Si1 H1\n1.0\n4.143250 0.000000 0.000000\n-2.071625 3.588160 -0.000000\n0.000000 -0.000000 4.724040\nCa Al Si H\n1 1 1 1\ndirect\n0.000000 0.000000 0.001675 Ca\n0.666667 0.333333 0.545093 Al\n0.333332 0.666667 0.431140 Si\n0.666667 0.333333 0.915392 H\n",
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{
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"structure_string": "Li2 Ca1 Al1\n1.0\n4.233202 -0.000000 2.444040\n1.411067 3.991101 2.444040\n-0.000000 -0.000000 4.888081\nLi Ca Al\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Li\n0.750000 0.750000 0.750000 Li\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Al\n",
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{
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"structure_string": "Li1 Ca2 Al1\n1.0\n-0.000000 3.779002 3.779002\n3.779002 -0.000000 3.779002\n3.779002 3.779002 0.000000\nLi Ca Al\n1 2 1\ndirect\n0.750000 0.750000 0.750000 Li\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Ca\n0.249999 0.249999 0.249999 Al\n",
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{
"id": "jvasp-35170",
"created_at": "2022-09-04T14:38:05.063390Z",
"updated_at": "2022-09-04T14:38:05.063411Z",
"structure_string": "Li4 Ca4 Al4 N8\n1.0\n0.000000 5.775238 -0.007065\n6.862633 0.000000 0.000000\n0.000000 -0.019677 -5.804997\nLi Ca Al N\n4 4 4 8\ndirect\n0.366678 0.598381 0.909159 Li\n0.633321 0.098381 0.590841 Li\n0.633322 0.401619 0.090841 Li\n0.366678 0.901619 0.409159 Li\n0.027995 0.871184 0.741138 Ca\n0.972005 0.371185 0.758862 Ca\n0.972005 0.128815 0.258862 Ca\n0.027995 0.628815 0.241137 Ca\n0.620752 0.859782 0.074650 Al\n0.379248 0.359782 0.425349 Al\n0.379248 0.140217 0.925349 Al\n0.620752 0.640217 0.574651 Al\n0.268569 0.145528 0.605862 N\n0.731430 0.645528 0.894138 N\n0.731431 0.854471 0.394138 N\n0.268570 0.354471 0.105862 N\n0.287574 0.606967 0.566794 N\n0.712425 0.106967 0.933206 N\n0.712425 0.393033 0.433206 N\n0.287575 0.893033 0.066793 N\n",
"nsites": 20,
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"elements": [
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],
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"formula_full": "Li4 Ca4 Al4 N8",
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{
"id": "jvasp-80193",
"created_at": "2022-09-04T14:37:17.508090Z",
"updated_at": "2022-09-04T14:37:17.508103Z",
"structure_string": "Ca2 Mg1 Al1\n1.0\n-16.604613 1.737177 -6.749324\n-10.056560 0.122917 -1.258528\n-8.801888 3.671910 -3.431803\nCa Mg Al\n2 1 1\ndirect\n0.488856 0.174131 0.174132 Ca\n0.511143 0.825869 0.825871 Ca\n0.000000 0.000000 0.000000 Mg\n0.499999 0.000000 0.000001 Al\n",
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"volume": 131.48948931840803,
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"formula_full": "Ca2 Mg1 Al1",
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},
{
"id": "jvasp-113076",
"created_at": "2022-09-04T14:38:44.993954Z",
"updated_at": "2022-09-04T14:38:44.993976Z",
"structure_string": "Na1 Ca1 Mg1 Al1 Si4 O12\n1.0\n6.349267 0.012582 1.418645\n0.296288 6.342362 1.418645\n-0.017223 -0.016470 5.281143\nNa Ca Mg Al Si O\n1 1 1 1 4 12\ndirect\n0.300250 0.699750 0.499999 Na\n0.696305 0.303695 -0.000001 Ca\n0.910882 0.089118 0.499999 Mg\n0.096572 0.903428 -0.000001 Al\n0.806401 0.621289 0.472014 Si\n0.378711 0.193600 0.527984 Si\n0.195047 0.385482 0.016755 Si\n0.614519 0.804953 0.983242 Si\n0.375405 0.340822 0.752426 O\n0.659179 0.624596 0.247572 O\n0.806376 0.966586 0.903159 O\n0.033413 0.193625 0.096838 O\n0.193026 0.026401 0.637418 O\n0.614230 0.103909 0.435501 O\n0.375826 0.896885 0.057948 O\n0.103115 0.624174 0.942049 O\n0.333061 0.361994 0.252976 O\n0.896092 0.385771 0.564497 O\n0.973600 0.806974 0.362579 O\n0.638007 0.666939 0.747021 O\n",
"nsites": 20,
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"elements": [
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],
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"density": 3.264932022493813,
"density_atomic": 0.09392114505982908,
"volume": 212.94459290567337,
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"formula_full": "Na1 Ca1 Mg1 Al1 Si4 O12",
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{
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"created_at": "2022-09-04T14:37:09.875511Z",
"updated_at": "2022-09-04T14:37:09.875531Z",
"structure_string": "Ca1 Mn4 Al8\n1.0\n4.607280 0.000000 1.879705\n2.303640 6.230946 0.939852\n-0.050137 0.000000 6.709117\nCa Mn Al\n1 4 8\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 -0.000000 0.500000 Mn\n-0.000000 0.500000 -0.000000 Mn\n0.500000 0.500000 -0.000001 Mn\n-0.000000 -0.000000 0.500000 Mn\n0.338131 0.661868 0.661868 Al\n-0.000001 0.338132 0.661868 Al\n-0.000000 0.661868 0.338132 Al\n0.661868 0.338132 0.338132 Al\n0.277261 0.222739 0.222739 Al\n0.500000 0.777262 0.222738 Al\n0.499999 0.222739 0.777261 Al\n0.722738 0.777262 0.777261 Al\n",
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"density": 4.088652599843657,
"density_atomic": 0.0672910495597787,
"volume": 193.1906261686603,
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"formula_full": "Ca1 Mn4 Al8",
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"formula_anonymous": "AB4C8",
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},
{
"id": "jvasp-98206",
"created_at": "2022-09-04T14:35:46.264361Z",
"updated_at": "2022-09-04T14:35:46.264387Z",
"structure_string": "Ca4 Mn2 Al2 O10\n1.0\n5.042428 0.000000 -1.655469\n-0.597441 5.254425 -1.819758\n-0.083073 -0.127085 8.254118\nCa Mn Al O\n4 2 2 10\ndirect\n0.618398 0.079671 0.219831 Ca\n0.898567 0.359841 0.780172 Ca\n0.398567 0.920329 0.780169 Ca\n0.118394 0.640159 0.219828 Ca\n0.997975 -0.000000 -0.000000 Mn\n0.497973 0.500000 -0.000000 Mn\n0.788715 0.675946 0.499998 Al\n0.288717 0.324054 0.500002 Al\n0.735718 0.731709 0.971866 O\n0.623024 0.393424 0.500003 O\n0.235718 0.740154 0.971867 O\n0.820101 0.924759 0.706344 O\n0.113757 0.075241 0.293656 O\n0.320111 0.281600 0.706357 O\n0.613753 0.718400 0.293643 O\n0.123021 0.606576 0.499997 O\n0.263851 0.259846 0.028133 O\n0.763851 0.268291 0.028134 O\n",
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"volume": 216.67891133620168,
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},
{
"id": "jvasp-118362",
"created_at": "2022-09-04T14:38:50.015281Z",
"updated_at": "2022-09-04T14:38:50.015312Z",
"structure_string": "Ca1 Al1 N1\n1.0\n5.208575 0.000000 -0.000000\n0.000000 5.208575 0.000000\n0.000000 -0.000000 6.933741\nCa Al N\n1 1 1\ndirect\n0.000000 0.000000 0.715774 Ca\n0.000000 0.000000 0.255779 Al\n0.000000 0.000000 0.008319 N\n",
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{
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"created_at": "2022-09-04T14:38:50.878499Z",
"updated_at": "2022-09-04T14:38:50.878524Z",
"structure_string": "Ca1 Al1 N1\n1.0\n6.477130 0.000000 0.000000\n0.000000 6.477130 0.000000\n0.000000 0.000000 4.762595\nCa Al N\n1 1 1\ndirect\n0.353507 0.002396 0.000000 Ca\n-0.004911 -0.030326 0.000000 Al\n0.003191 0.246364 0.000000 N\n",
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},
{
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"created_at": "2022-09-04T14:37:42.907466Z",
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"structure_string": "Ca6 Al4 N8\n1.0\n5.513739 -0.003589 0.154864\n0.141342 6.513723 1.639334\n-0.005555 -0.006147 6.718326\nCa Al N\n6 4 8\ndirect\n0.454930 0.252443 0.977541 Ca\n0.545071 0.747556 0.022458 Ca\n0.250000 0.601676 0.398323 Ca\n0.750000 0.398323 0.601677 Ca\n0.954929 0.977540 0.252443 Ca\n0.045072 0.022459 0.747557 Ca\n0.589371 0.823136 0.585649 Al\n0.410630 0.176863 0.414350 Al\n0.089371 0.585649 0.823137 Al\n0.910629 0.414350 0.176863 Al\n0.019542 0.697873 0.058381 N\n0.980459 0.302126 0.941618 N\n0.920362 0.736946 0.588108 N\n0.519543 0.058381 0.697873 N\n0.420362 0.588108 0.736946 N\n0.480458 0.941618 0.302126 N\n0.579638 0.411891 0.263053 N\n0.079639 0.263053 0.411892 N\n",
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{
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"structure_string": "Ca1 Al1 N2\n1.0\n1.573286 0.908337 5.257450\n-1.573286 0.908337 5.257450\n0.000000 -1.816674 5.257450\nCa Al N\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500001 0.500001 0.499998 Al\n0.233120 0.233120 0.233119 N\n0.766881 0.766881 0.766877 N\n",
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