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{
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{
"id": "jvasp-81343",
"created_at": "2022-09-04T14:37:06.036773Z",
"updated_at": "2022-09-04T14:37:06.036800Z",
"structure_string": "Li1 Mn1 Rh2\n1.0\n-6.748721 -1.862976 -6.938564\n-4.243019 -1.972238 -1.209041\n-2.955145 1.670405 -3.439681\nLi Mn Rh\n1 1 2\ndirect\n0.000001 0.000007 0.000007 Li\n0.500004 -0.000008 -0.000010 Mn\n0.749134 0.001621 0.001619 Rh\n0.250862 -0.001619 -0.001619 Rh\n",
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{
"id": "jvasp-18218",
"created_at": "2022-09-04T14:37:31.879215Z",
"updated_at": "2022-09-04T14:37:31.879234Z",
"structure_string": "Fe3 Sn1\n1.0\n3.797616 0.000000 -0.000000\n0.000000 3.797616 0.000000\n-0.000000 0.000000 3.797616\nFe Sn\n3 1\ndirect\n0.000000 0.500001 0.500001 Fe\n0.500001 0.500001 0.000000 Fe\n0.500001 0.000000 0.500001 Fe\n0.000000 0.000000 0.000000 Sn\n",
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{
"id": "jvasp-44648",
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"structure_string": "K4 V2 P2 C2 O14\n1.0\n0.000000 5.548748 -0.058899\n6.670525 0.000000 0.000000\n0.000000 -0.080823 -9.661845\nK V P C O\n4 2 2 2 14\ndirect\n0.244198 0.475410 0.240853 K\n0.244198 0.024590 0.240853 K\n0.755803 0.524591 0.759147 K\n0.755803 0.975410 0.759147 K\n0.775680 0.750001 0.358163 V\n0.224321 0.250000 0.641837 V\n0.722187 0.250000 0.432759 P\n0.277814 0.750001 0.567240 P\n0.725686 0.750001 0.102783 C\n0.274315 0.250000 0.897216 C\n0.453166 0.250000 0.806133 O\n0.229981 0.940446 0.655130 O\n0.229981 0.559555 0.655130 O\n0.890490 0.250000 0.561091 O\n0.547369 0.750001 0.520627 O\n0.452631 0.250000 0.479373 O\n0.936182 0.750001 0.165519 O\n0.770020 0.440446 0.344870 O\n0.770020 0.059555 0.344870 O\n0.546835 0.750001 0.193867 O\n0.063819 0.250000 0.834481 O\n0.303733 0.250000 0.024844 O\n0.109511 0.750001 0.438909 O\n0.696268 0.750001 0.975156 O\n",
"nsites": 24,
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"elements": [
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],
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"density": 2.638303479478798,
"density_atomic": 0.06710541964834948,
"volume": 357.6462247873045,
"volume_molar": 8.97414961646562,
"formula_full": "K4 V2 P2 C2 O14",
"formula_reduced": "K2VPCO7",
"formula_anonymous": "ABCD2E7",
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"spacegroup": 11
},
{
"id": "jvasp-42725",
"created_at": "2022-09-04T14:37:51.375402Z",
"updated_at": "2022-09-04T14:37:51.375427Z",
"structure_string": "Li3 Fe2 Si2 O8\n1.0\n4.952505 -0.106895 -0.016322\n-0.134408 5.253843 0.051472\n-0.112964 -0.081643 6.545040\nLi Fe Si O\n3 2 2 8\ndirect\n0.493194 0.158877 0.506456 Li\n0.504645 0.650495 0.278352 Li\n0.996260 0.846854 0.508871 Li\n0.487365 0.171431 0.991486 Fe\n0.025973 0.819201 0.000504 Fe\n-0.006303 0.325372 0.263819 Si\n0.492634 0.670349 0.736800 Si\n0.113694 0.182957 0.456509 O\n0.099526 0.185749 0.049272 O\n0.656388 0.310042 0.242718 O\n0.554608 0.367344 0.757171 O\n0.100130 0.631404 0.245325 O\n0.166996 0.719843 0.752326 O\n0.622317 0.819497 0.953801 O\n0.608959 0.801482 0.531300 O\n",
"nsites": 15,
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"elements": [
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"O"
],
"chemical_system": "Fe-Li-O-Si",
"density": 3.0893326811706063,
"density_atomic": 0.08812259978034652,
"volume": 170.2174020896892,
"volume_molar": 6.8338210345708434,
"formula_full": "Li3 Fe2 Si2 O8",
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"spacegroup": 1
},
{
"id": "jvasp-117213",
"created_at": "2022-09-04T14:38:49.443311Z",
"updated_at": "2022-09-04T14:38:49.443337Z",
"structure_string": "Ho4 V2 Fe2 O12\n1.0\n5.578820 0.000000 0.000000\n-0.000000 4.197939 2.974144\n-0.000000 0.003435 9.100418\nHo V Fe O\n4 2 2 12\ndirect\n0.575820 0.727371 0.749514 Ho\n0.075821 0.272631 0.750486 Ho\n0.424179 0.272630 0.250486 Ho\n0.924179 0.727370 0.249514 Ho\n0.000000 0.500000 -0.000000 V\n0.500000 0.500001 0.500000 V\n0.000000 0.000001 0.500000 Fe\n0.500000 0.000000 -0.000000 Fe\n0.694469 0.242173 0.448326 O\n0.194470 0.757828 0.051674 O\n0.700062 0.633250 0.053334 O\n0.200063 0.366751 0.446665 O\n0.305530 0.757828 0.551674 O\n0.466527 0.143630 0.749471 O\n0.533473 0.856371 0.250529 O\n0.033473 0.143630 0.249471 O\n0.799937 0.633251 0.553334 O\n0.966527 0.856371 0.750529 O\n0.805530 0.242174 0.948326 O\n0.299937 0.366751 0.946665 O\n",
"nsites": 20,
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"elements": [
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],
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"formula_full": "Ho4 V2 Fe2 O12",
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"spacegroup": 14
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{
"id": "jvasp-119171",
"created_at": "2022-09-04T14:38:51.749687Z",
"updated_at": "2022-09-04T14:38:51.749722Z",
"structure_string": "Li2 Al2 Si6 O16\n1.0\n6.650048 -0.058349 -2.434886\n-2.200021 6.158189 -3.187961\n-0.009337 -0.016322 7.545671\nLi Al Si O\n2 2 6 16\ndirect\n0.879843 0.754373 0.715801 Li\n0.120158 0.245627 0.284199 Li\n0.801919 0.147228 0.842069 Al\n0.198081 0.852772 0.157931 Al\n0.289310 0.574065 0.777793 Si\n0.239889 0.173684 0.816404 Si\n0.710690 0.425935 0.222206 Si\n0.366424 0.775292 0.533628 Si\n0.633576 0.224708 0.466371 Si\n0.760111 0.826317 0.183595 Si\n0.842480 0.282032 0.119501 O\n0.457879 0.318860 0.049580 O\n0.542121 0.681140 0.950419 O\n0.193878 0.319594 0.701160 O\n0.806122 0.680406 0.298840 O\n0.157520 0.717968 0.880499 O\n0.269721 0.960345 0.648199 O\n0.626274 0.871872 0.679051 O\n0.957428 0.900505 0.139996 O\n0.042572 0.099496 0.860004 O\n0.373726 0.128128 0.320949 O\n0.717545 0.298383 0.723175 O\n0.265787 0.561879 0.546096 O\n0.734213 0.438122 0.453904 O\n0.730279 0.039655 0.351801 O\n0.282455 0.701618 0.276825 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
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"Al",
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],
"chemical_system": "Al-Li-O-Si",
"density": 2.659017655386426,
"density_atomic": 0.08456153783946246,
"volume": 307.46839123668985,
"volume_molar": 7.12160742799268,
"formula_full": "Li2 Al2 Si6 O16",
"formula_reduced": "LiAlSi3O8",
"formula_anonymous": "ABC3D8",
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"spacegroup": 2
},
{
"id": "jvasp-53086",
"created_at": "2022-09-04T14:35:52.724026Z",
"updated_at": "2022-09-04T14:35:52.724061Z",
"structure_string": "Al4 C1 O1\n1.0\n2.931659 0.001011 0.034507\n0.000224 5.093117 -0.008261\n-0.070386 -0.121691 5.217669\nAl C O\n4 1 1\ndirect\n0.040351 0.787529 0.605456 Al\n0.542176 0.914593 0.088618 Al\n0.541260 0.228787 0.572824 Al\n0.041390 0.445576 0.024023 Al\n0.540758 0.570703 0.778514 C\n0.541649 0.287551 0.218894 O\n",
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"elements": [
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],
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"density": 2.897065057274811,
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"volume": 77.9159102525684,
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"formula_full": "Al4 C1 O1",
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"spacegroup": 6
},
{
"id": "jvasp-112500",
"created_at": "2022-09-04T14:38:40.844137Z",
"updated_at": "2022-09-04T14:38:40.844155Z",
"structure_string": "Li4 Mn1 Co3 O8\n1.0\n2.847261 -0.019640 0.087023\n0.005482 4.868069 0.856326\n-0.293280 0.046032 9.451220\nLi Mn Co O\n4 1 3 8\ndirect\n0.000000 0.000000 0.000000 Li\n0.500012 0.745958 0.247883 Li\n-0.000000 0.500000 0.500000 Li\n0.499987 0.254042 0.752117 Li\n0.500000 -0.000000 0.500000 Mn\n-0.000018 0.751840 0.751134 Co\n0.499999 0.500000 0.000000 Co\n0.000017 0.248160 0.248866 Co\n0.500153 0.850745 0.871015 O\n0.000207 0.596544 0.119933 O\n0.500175 0.349871 0.371038 O\n0.000184 0.107964 0.620939 O\n0.499845 0.149255 0.128985 O\n0.999815 0.892036 0.379061 O\n0.499824 0.650128 0.628962 O\n-0.000208 0.403456 0.880068 O\n",
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"elements": [
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"density_atomic": 0.12212047892452708,
"volume": 131.01815633959578,
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"formula_full": "Li4 Mn1 Co3 O8",
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"spacegroup": 10
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{
"id": "jvasp-38967",
"created_at": "2022-09-04T14:37:47.678118Z",
"updated_at": "2022-09-04T14:37:47.678138Z",
"structure_string": "Ti2 Pt6\n1.0\n2.802437 -4.853963 0.000000\n2.802437 4.853963 -0.000000\n0.000000 0.000000 4.529995\nTi Pt\n2 6\ndirect\n0.333334 0.666667 0.250000 Ti\n0.666667 0.333334 0.749999 Ti\n0.167623 0.832378 0.749999 Pt\n0.664756 0.832378 0.749999 Pt\n0.167623 0.335245 0.749999 Pt\n0.832378 0.167623 0.250000 Pt\n0.335245 0.167623 0.250000 Pt\n0.832378 0.664756 0.250000 Pt\n",
"nsites": 8,
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},
{
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"created_at": "2022-09-04T14:36:47.775688Z",
"updated_at": "2022-09-04T14:36:47.775715Z",
"structure_string": "Fe1 N1\n1.0\n2.589845 -0.000000 1.495248\n0.863282 2.441730 1.495248\n-0.000000 -0.000000 2.990495\nFe N\n1 1\ndirect\n0.000000 0.000000 0.000000 Fe\n0.250000 0.250000 0.250001 N\n",
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},
{
"id": "jvasp-42787",
"created_at": "2022-09-04T14:36:09.965485Z",
"updated_at": "2022-09-04T14:36:09.965507Z",
"structure_string": "Li4 Mn2 P4 O14\n1.0\n7.744291 0.000000 0.000000\n-0.000000 7.744291 -0.000000\n0.000000 -0.000000 4.979861\nLi Mn P O\n4 2 4 14\ndirect\n0.221161 0.278839 0.548719 Li\n0.278839 0.778839 0.451281 Li\n0.721160 0.221161 0.451281 Li\n0.778839 0.721160 0.548719 Li\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.000000 Mn\n0.141538 0.641538 0.886305 P\n0.358462 0.141538 0.113695 P\n0.641538 0.858461 0.113695 P\n0.858461 0.358462 0.886305 P\n0.807452 0.920496 0.256285 O\n0.692548 0.420496 0.743715 O\n0.655198 0.844802 0.813584 O\n0.579503 0.692548 0.256285 O\n0.500000 0.000000 0.203342 O\n0.420496 0.307452 0.256285 O\n0.079504 0.807452 0.743715 O\n0.307452 0.579503 0.743715 O\n0.192548 0.079504 0.256285 O\n0.155198 0.655198 0.186416 O\n0.844802 0.344802 0.186416 O\n0.000000 0.500000 0.796658 O\n0.344802 0.155198 0.813584 O\n0.920496 0.192548 0.743715 O\n",
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],
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"volume": 298.66239820956145,
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"formula_full": "Li4 Mn2 P4 O14",
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},
{
"id": "jvasp-16066",
"created_at": "2022-09-04T14:36:41.483340Z",
"updated_at": "2022-09-04T14:36:41.483371Z",
"structure_string": "Sc3 Ga1 C1\n1.0\n4.464314 -0.000000 0.000000\n0.000000 4.464314 0.000000\n0.000000 -0.000000 4.464314\nSc Ga C\n3 1 1\ndirect\n0.500000 0.000000 0.500000 Sc\n0.000000 0.500000 0.500000 Sc\n0.500000 0.500000 0.000000 Sc\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 C\n",
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],
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"formula_full": "Sc3 Ga1 C1",
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"formula_anonymous": "ABC3",
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}
]
}