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{
"id": "jvasp-106271",
"created_at": "2022-09-04T14:38:38.022096Z",
"updated_at": "2022-09-04T14:38:38.022116Z",
"structure_string": "Pm2 Al1 Cd1\n1.0\n4.607372 -0.000000 2.660068\n1.535791 4.343872 2.660068\n0.000000 -0.000000 5.320135\nPm Al Cd\n2 1 1\ndirect\n0.250000 0.250000 0.250001 Pm\n0.750000 0.750000 0.750002 Pm\n0.500000 0.500000 0.500001 Al\n0.000000 0.000000 0.000000 Cd\n",
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{
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"structure_string": "Dy16 In6 Co2\n1.0\n10.295974 0.000000 -0.000000\n-5.147988 8.916574 -0.000000\n-0.000000 -0.000000 6.934589\nDy In Co\n16 6 2\ndirect\n0.535135 0.070270 0.512099 Dy\n0.000000 0.000000 0.001420 Dy\n0.000000 0.000000 0.501420 Dy\n0.333333 0.666667 0.403347 Dy\n0.666667 0.333333 0.903347 Dy\n0.355847 0.177924 0.220342 Dy\n0.822076 0.644152 0.220342 Dy\n0.177923 0.822076 0.720342 Dy\n0.822076 0.177924 0.220342 Dy\n0.177923 0.355847 0.720342 Dy\n0.464864 0.535135 0.012099 Dy\n0.070269 0.535135 0.012099 Dy\n0.464864 0.929730 0.012099 Dy\n0.535135 0.464865 0.512099 Dy\n0.929730 0.464865 0.512099 Dy\n0.644152 0.822076 0.720342 Dy\n0.836901 0.673803 0.759893 In\n0.326197 0.163098 0.759893 In\n0.836901 0.163098 0.759893 In\n0.163098 0.326197 0.259893 In\n0.673803 0.836901 0.259893 In\n0.163098 0.836901 0.259893 In\n0.666667 0.333333 0.290330 Co\n0.333333 0.666667 0.790330 Co\n",
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"formula_full": "Dy16 In6 Co2",
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{
"id": "jvasp-110622",
"created_at": "2022-09-04T14:38:38.035275Z",
"updated_at": "2022-09-04T14:38:38.035293Z",
"structure_string": "Li2 Mn1 Fe1 O4\n1.0\n3.680559 -0.025487 -3.429283\n-0.713737 3.610781 -3.429283\n0.021090 0.025487 5.030511\nLi Mn Fe O\n2 1 1 4\ndirect\n0.249999 0.750000 0.500000 Li\n0.500000 0.499999 -0.000000 Li\n0.000000 0.000000 0.000000 Mn\n0.750000 0.250000 0.500000 Fe\n0.509703 0.009703 0.500000 O\n0.236508 0.236508 -0.000000 O\n0.990297 0.490297 0.500000 O\n0.763491 0.763491 -0.000000 O\n",
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"density": 4.647441753986891,
"density_atomic": 0.1186776467639675,
"volume": 67.40949301017766,
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"formula_full": "Li2 Mn1 Fe1 O4",
"formula_reduced": "Li2MnFeO4",
"formula_anonymous": "ABC2D4",
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"spacegroup": 119
},
{
"id": "jvasp-120451",
"created_at": "2022-09-04T14:38:38.052101Z",
"updated_at": "2022-09-04T14:38:38.052110Z",
"structure_string": "Ag4 Te2 H8 O12\n1.0\n9.724212 0.040434 3.632690\n8.297594 5.086616 1.892416\n-0.008393 0.029688 5.525106\nAg Te H O\n4 2 8 12\ndirect\n0.666919 0.178121 0.874296 Ag\n0.874295 0.280664 0.666920 Ag\n0.071878 0.583082 0.969337 Ag\n0.969335 0.375705 0.071879 Ag\n0.245083 0.754916 0.245085 Te\n0.495084 0.004916 0.495084 Te\n0.447293 0.791059 0.443320 H\n0.458940 0.802707 0.931673 H\n0.931671 0.806682 0.458942 H\n0.443318 0.318329 0.447295 H\n0.501278 0.017863 0.024088 H\n0.793228 0.225912 0.232137 H\n0.232136 0.748723 0.793229 H\n0.024088 0.456772 0.501279 H\n0.387972 0.279933 0.593593 O\n0.525840 0.387476 0.253884 O\n0.253883 0.832801 0.525841 O\n0.862523 0.724160 0.417201 O\n0.417200 -0.003884 0.862524 O\n0.206761 0.700453 0.963496 O\n0.963495 0.129291 0.206762 O\n0.549548 0.043238 0.120708 O\n0.120708 0.286506 0.549548 O\n0.970067 0.862028 0.511498 O\n0.511496 0.656409 0.970069 O\n0.593591 0.738503 0.387974 O\n",
"nsites": 26,
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"elements": [
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],
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"volume": 271.9394455627171,
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"formula_full": "Ag4 Te2 H8 O12",
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{
"id": "jvasp-111060",
"created_at": "2022-09-04T14:38:38.056425Z",
"updated_at": "2022-09-04T14:38:38.056458Z",
"structure_string": "Ga1 Ag3\n1.0\n2.951807 -0.000000 0.000000\n-1.475903 2.556340 0.000000\n0.000000 -0.000000 9.271961\nGa Ag\n1 3\ndirect\n0.666668 0.333333 -0.000000 Ga\n0.666668 0.333333 0.500000 Ag\n0.333334 0.666667 0.243899 Ag\n0.333334 0.666667 0.756100 Ag\n",
"nsites": 4,
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"elements": [
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"density": 9.335237027636875,
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"formula_full": "Ga1 Ag3",
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{
"id": "jvasp-110751",
"created_at": "2022-09-04T14:38:38.057004Z",
"updated_at": "2022-09-04T14:38:38.057024Z",
"structure_string": "Ba6 Sm2\n1.0\n8.317359 0.000000 0.000000\n-4.158680 7.203044 0.000000\n-0.000000 -0.000000 6.639294\nBa Sm\n6 2\ndirect\n0.828361 0.171639 0.750000 Ba\n0.343278 0.171639 0.750000 Ba\n0.828361 0.656722 0.750000 Ba\n0.171639 0.828361 0.250000 Ba\n0.656722 0.828361 0.250000 Ba\n0.171639 0.343278 0.250000 Ba\n0.666667 0.333333 0.250000 Sm\n0.333333 0.666666 0.750000 Sm\n",
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"formula_full": "Ba6 Sm2",
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"spacegroup": 194
},
{
"id": "jvasp-106270",
"created_at": "2022-09-04T14:38:38.059077Z",
"updated_at": "2022-09-04T14:38:38.059105Z",
"structure_string": "Nd1 Cd3\n1.0\n4.458739 -0.000000 2.574254\n1.486247 4.203739 2.574254\n-0.000000 -0.000000 5.148509\nNd Cd\n1 3\ndirect\n0.000000 0.000000 0.000000 Nd\n0.250000 0.250000 0.249999 Cd\n0.750001 0.750000 0.749998 Cd\n0.500000 0.500000 0.499999 Cd\n",
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{
"id": "jvasp-110818",
"created_at": "2022-09-04T14:38:38.064653Z",
"updated_at": "2022-09-04T14:38:38.064675Z",
"structure_string": "Li1 Ru1 O3\n1.0\n3.816598 -0.000000 0.000000\n0.000000 3.816598 0.000000\n-0.000000 -0.000000 3.816598\nLi Ru O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Ru\n0.500000 0.500000 -0.000000 O\n0.500000 0.000000 0.500000 O\n-0.000000 0.500000 0.500000 O\n",
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"formula_full": "Li1 Ru1 O3",
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},
{
"id": "jvasp-110872",
"created_at": "2022-09-04T14:38:38.070085Z",
"updated_at": "2022-09-04T14:38:38.070105Z",
"structure_string": "Tb2 Nd6\n1.0\n7.300381 0.000000 0.000000\n-3.650191 6.322315 0.000000\n-0.000000 -0.000000 5.869734\nTb Nd\n2 6\ndirect\n0.333333 0.666666 0.749999 Tb\n0.666667 0.333333 0.250000 Tb\n0.167393 0.334786 0.250000 Nd\n0.665213 0.832607 0.250000 Nd\n0.167393 0.832607 0.250000 Nd\n0.832607 0.665213 0.749999 Nd\n0.334787 0.167393 0.749999 Nd\n0.832607 0.167393 0.749999 Nd\n",
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{
"id": "jvasp-110862",
"created_at": "2022-09-04T14:38:38.071410Z",
"updated_at": "2022-09-04T14:38:38.071420Z",
"structure_string": "Sn3 Te1\n1.0\n4.307725 0.020407 -4.792217\n-0.618173 4.263188 -4.792217\n-0.017577 -0.020407 6.443720\nSn Te\n3 1\ndirect\n0.749999 0.250000 0.499999 Sn\n0.250000 0.750000 0.500000 Sn\n0.500000 0.500001 -0.000000 Sn\n0.000000 0.000000 0.000000 Te\n",
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{
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"created_at": "2022-09-04T14:38:38.073817Z",
"updated_at": "2022-09-04T14:38:38.073841Z",
"structure_string": "Li8 Mn2 Ge4 S14\n1.0\n9.097344 0.013842 0.638857\n6.632948 6.226222 0.638857\n-0.032032 -0.012707 10.102776\nLi Mn Ge S\n8 2 4 14\ndirect\n0.568658 0.271505 0.292995 Li\n0.271506 0.568657 0.792996 Li\n0.025037 0.679683 0.140177 Li\n0.679684 0.025036 0.640177 Li\n0.975806 0.305970 0.218693 Li\n0.305971 0.975805 0.718693 Li\n0.894675 0.529704 0.858076 Li\n0.529705 0.894674 0.358076 Li\n0.818837 0.169330 0.940004 Mn\n0.169331 0.818836 0.440004 Mn\n0.396417 0.741597 0.079339 Ge\n0.741598 0.396416 0.579339 Ge\n0.448264 0.117752 0.018821 Ge\n0.117753 0.448264 0.518821 Ge\n0.568126 0.190754 0.853096 S\n0.508677 0.846522 0.926846 S\n0.846523 0.508676 0.426846 S\n0.678203 0.391571 0.129090 S\n0.391572 0.678203 0.629090 S\n0.271646 0.925786 0.265500 S\n0.925787 0.271645 0.765500 S\n0.143448 0.796361 0.985828 S\n0.796362 0.143446 0.485828 S\n0.652445 0.983039 0.192028 S\n0.983041 0.652444 0.692028 S\n0.098959 0.394943 0.052534 S\n0.394944 0.098958 0.552534 S\n0.190755 0.568125 0.353096 S\n",
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{
"id": "jvasp-110495",
"created_at": "2022-09-04T14:38:38.074545Z",
"updated_at": "2022-09-04T14:38:38.074571Z",
"structure_string": "Er2 Al2 Si2\n1.0\n5.490744 -0.003847 -0.000000\n-4.032917 3.726105 -0.000000\n0.000000 0.000000 5.682842\nEr Al Si\n2 2 2\ndirect\n0.693438 0.306559 0.250000 Er\n0.306559 0.693439 0.750000 Er\n0.000000 0.000000 0.000000 Al\n0.000000 0.000000 0.500000 Al\n0.397197 0.602800 0.250000 Si\n0.602800 0.397198 0.750000 Si\n",
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}
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}