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{
"id": "jvasp-94802",
"created_at": "2022-09-04T14:35:57.183528Z",
"updated_at": "2022-09-04T14:35:57.183540Z",
"structure_string": "Ca1 Ce1 Mg6\n1.0\n6.491580 -1.742216 0.000000\n-4.754595 8.235195 0.000000\n0.000000 0.000000 4.721174\nCa Ce Mg\n1 1 6\ndirect\n0.250020 0.375010 0.250000 Ca\n0.249964 0.874983 0.250000 Ce\n0.750025 0.375000 0.250000 Mg\n0.750026 0.875025 0.250000 Mg\n0.249997 0.120780 0.749999 Mg\n0.249998 0.629218 0.749999 Mg\n0.741580 0.120790 0.749999 Mg\n0.758388 0.629195 0.749999 Mg\n",
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{
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"structure_string": "Ba1 Mg6 Fe1\n1.0\n7.919457 -0.994347 0.000000\n-4.820858 6.361277 0.000000\n0.000000 0.000000 4.682530\nBa Mg Fe\n1 6 1\ndirect\n0.279797 0.220203 0.750000 Ba\n0.208070 0.804244 0.250000 Mg\n0.695757 0.291930 0.250000 Mg\n0.682601 0.817399 0.250000 Mg\n0.320517 0.673235 0.750000 Mg\n0.826765 0.179483 0.750000 Mg\n0.880336 0.619664 0.750000 Mg\n0.106159 0.393841 0.250000 Fe\n",
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{
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"created_at": "2022-09-04T14:36:00.090655Z",
"updated_at": "2022-09-04T14:36:00.090680Z",
"structure_string": "K1 Mg6 Sn1\n1.0\n7.771446 0.840565 0.000000\n-3.157773 5.469423 0.000000\n0.000000 0.000000 4.966167\nK Mg Sn\n1 6 1\ndirect\n0.091482 0.795740 0.250000 K\n0.641968 0.308844 0.250000 Mg\n0.641968 0.833122 0.250000 Mg\n0.362772 0.172465 0.750000 Mg\n0.362772 0.690307 0.750000 Mg\n0.865412 0.182706 0.750000 Mg\n0.753705 0.626852 0.750000 Mg\n0.279930 0.389966 0.250000 Sn\n",
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"density": 2.248194431705306,
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"volume": 224.27030872216918,
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"formula_full": "K1 Mg6 Sn1",
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"spacegroup": 38
},
{
"id": "jvasp-94806",
"created_at": "2022-09-04T14:36:01.731963Z",
"updated_at": "2022-09-04T14:36:01.731991Z",
"structure_string": "K1 Sr1 Mg6\n1.0\n7.523481 -0.161598 0.000000\n-3.901689 6.757925 0.000000\n0.000000 0.000000 5.094242\nK Sr Mg\n1 1 6\ndirect\n0.085786 0.292892 0.250000 K\n0.248357 0.874177 0.250000 Sr\n0.670563 0.388248 0.250000 Mg\n0.670562 0.782315 0.250000 Mg\n0.396016 0.252035 0.750000 Mg\n0.396016 0.643982 0.750000 Mg\n0.678914 0.089458 0.750000 Mg\n0.853783 0.676890 0.750000 Mg\n",
"nsites": 8,
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"elements": [
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"density": 1.7692946396379405,
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"volume": 255.79521327099582,
"volume_molar": 19.255434750651958,
"formula_full": "K1 Sr1 Mg6",
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"formula_anonymous": "ABC6",
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"spacegroup": 38
},
{
"id": "jvasp-9481",
"created_at": "2022-09-04T14:38:31.431737Z",
"updated_at": "2022-09-04T14:38:31.431761Z",
"structure_string": "Mg2 Ti2 Si2 O10\n1.0\n5.426538 -0.149801 -0.021864\n-1.503961 4.905376 0.050567\n-1.810474 -2.078394 6.465508\nMg Ti Si O\n2 2 2 10\ndirect\n0.275543 0.153269 0.707732 Mg\n0.691585 0.852217 0.215920 Mg\n0.994697 0.512506 0.502148 Ti\n0.005262 0.492056 0.005718 Ti\n0.675684 0.807663 0.772867 Si\n0.332514 0.193540 0.255626 Si\n0.633659 0.519518 0.854211 O\n0.879224 0.807545 0.632694 O\n0.358619 0.474403 0.170012 O\n0.146819 0.204149 0.410829 O\n0.630385 0.191550 0.387168 O\n0.217985 0.898981 0.059278 O\n0.382374 0.810735 0.635713 O\n0.791786 0.079961 0.988106 O\n0.928338 0.614188 0.264874 O\n0.054194 0.389717 0.759070 O\n",
"nsites": 16,
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"elements": [
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"chemical_system": "Mg-O-Si-Ti",
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"density_atomic": 0.09358280494712641,
"volume": 170.97157975805365,
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"formula_full": "Mg2 Ti2 Si2 O10",
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{
"id": "jvasp-94813",
"created_at": "2022-09-04T14:36:04.947155Z",
"updated_at": "2022-09-04T14:36:04.947179Z",
"structure_string": "Ga3 Pt5\n1.0\n3.999857 0.000000 0.000000\n0.000000 5.532313 -0.383287\n0.000000 0.039889 5.545431\nGa Pt\n3 5\ndirect\n0.000000 0.000000 0.000000 Ga\n0.500000 0.287823 0.712177 Ga\n0.500000 0.712177 0.287822 Ga\n0.000000 0.500000 0.500000 Pt\n0.000000 0.500000 -0.000000 Pt\n0.000000 0.000000 0.500000 Pt\n0.500000 0.205241 0.205241 Pt\n0.500000 0.794758 0.794758 Pt\n",
"nsites": 8,
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"formula_full": "Ga3 Pt5",
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{
"id": "jvasp-94814",
"created_at": "2022-09-04T14:36:06.561406Z",
"updated_at": "2022-09-04T14:36:06.561433Z",
"structure_string": "U2 Sb4 Au2\n1.0\n4.429588 -0.000000 -0.000000\n-0.000000 4.429588 -0.000000\n-0.000000 0.000000 9.820431\nU Sb Au\n2 4 2\ndirect\n0.250000 0.250000 0.248523 U\n0.750000 0.750000 0.751477 U\n0.250000 0.750000 0.000000 Sb\n0.750000 0.750000 0.302627 Sb\n0.250000 0.250000 0.697373 Sb\n0.750000 0.250000 0.000000 Sb\n0.750000 0.250000 0.500000 Au\n0.250000 0.750000 0.500000 Au\n",
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"formula_full": "U2 Sb4 Au2",
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"formula_anonymous": "ABC2",
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"spacegroup": 129
},
{
"id": "jvasp-94815",
"created_at": "2022-09-04T14:36:06.667904Z",
"updated_at": "2022-09-04T14:36:06.667930Z",
"structure_string": "Ba1 Cr1 F6\n1.0\n4.838171 -0.010677 -0.691534\n-0.795913 4.772266 -0.691534\n-0.009064 -0.010677 4.887334\nBa Cr F\n1 1 6\ndirect\n0.500001 0.500000 0.500001 Ba\n0.000000 0.000000 0.000000 Cr\n0.730334 0.730333 0.076854 F\n0.730334 0.076852 0.730333 F\n0.269668 0.923148 0.269668 F\n0.269668 0.269666 0.923147 F\n0.923148 0.269666 0.269667 F\n0.076854 0.730334 0.730334 F\n",
"nsites": 8,
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"density": 4.467849464158302,
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"volume": 112.73073367847103,
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"formula_full": "Ba1 Cr1 F6",
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"formula_anonymous": "ABC6",
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"spacegroup": 166
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{
"id": "jvasp-94817",
"created_at": "2022-09-04T14:36:09.607575Z",
"updated_at": "2022-09-04T14:36:09.607607Z",
"structure_string": "Ti1 Ni1 O6\n1.0\n4.417401 0.106875 3.292502\n1.711437 4.073798 3.292502\n0.156678 0.106876 5.507218\nTi Ni O\n1 1 6\ndirect\n0.855896 0.855898 0.855894 Ti\n0.656469 0.656471 0.656468 Ni\n0.023053 0.748314 0.459020 O\n0.459021 0.023054 0.748312 O\n0.748313 0.459022 0.023052 O\n0.268617 0.588577 0.892855 O\n0.588575 0.892857 0.268616 O\n0.892856 0.268619 0.588574 O\n",
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{
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"created_at": "2022-09-04T14:36:13.411625Z",
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"structure_string": "Sr2 Ce2 N4\n1.0\n6.005683 0.108347 4.246546\n3.083813 3.789037 8.472356\n0.036639 0.053679 6.317848\nSr Ce N\n2 2 4\ndirect\n0.000719 0.989669 0.007987 Sr\n0.749581 0.489665 0.010257 Sr\n0.248298 0.482516 0.016325 Ce\n0.498300 0.982550 0.016198 Ce\n0.277834 0.038032 0.407438 N\n0.034674 0.488479 0.457197 N\n0.731439 0.988598 0.563323 N\n0.474514 0.537997 0.514133 N\n",
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{
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"created_at": "2022-09-04T14:38:30.958896Z",
"updated_at": "2022-09-04T14:38:30.958912Z",
"structure_string": "Mg2 Ti2 P2 O10\n1.0\n5.106329 -0.181184 0.048630\n-1.281940 5.326405 -0.011315\n-1.464244 -2.053285 6.478461\nMg Ti P O\n2 2 2 10\ndirect\n0.346711 0.226702 0.804002 Mg\n0.678073 0.852732 0.325331 Mg\n0.011469 0.503663 0.500140 Ti\n-0.011686 0.496082 0.008141 Ti\n0.692410 0.831929 0.744603 P\n0.311313 0.143980 0.253215 P\n0.671773 0.625189 0.863000 O\n0.972874 0.882648 0.676588 O\n0.299730 0.314213 0.103727 O\n0.051094 0.136221 0.340469 O\n0.582551 0.242218 0.433996 O\n0.312261 0.863874 0.135681 O\n0.451321 0.731979 0.540218 O\n0.675911 0.098167 0.876123 O\n0.874855 0.586741 0.256492 O\n0.097271 0.433666 0.754748 O\n",
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"formula_full": "Mg2 Ti2 P2 O10",
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{
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"created_at": "2022-09-04T14:36:17.329962Z",
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"structure_string": "Ac6 Nd2\n1.0\n7.851017 -0.000000 0.000000\n-3.925508 6.799180 0.000000\n-0.000000 0.000000 6.335413\nAc Nd\n6 2\ndirect\n0.831102 0.168898 0.750000 Ac\n0.337796 0.168898 0.750000 Ac\n0.831102 0.662203 0.750000 Ac\n0.168898 0.831101 0.250001 Ac\n0.662203 0.831101 0.250001 Ac\n0.168899 0.337797 0.250001 Ac\n0.666667 0.333332 0.250001 Nd\n0.333333 0.666666 0.750000 Nd\n",
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}