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{
"id": "jvasp-87885",
"created_at": "2022-09-04T14:35:42.025051Z",
"updated_at": "2022-09-04T14:35:42.025082Z",
"structure_string": "Ba4 Ho8 O16\n1.0\n3.455065 0.000000 0.000000\n-0.000000 10.427648 0.000000\n0.000000 0.000000 12.116276\nBa Ho O\n4 8 16\ndirect\n0.250000 0.252852 0.850411 Ba\n0.749999 0.747149 0.149589 Ba\n0.250000 0.752852 0.649589 Ba\n0.749999 0.247148 0.350411 Ba\n0.250000 0.925823 0.889401 Ho\n0.250000 0.425823 0.610600 Ho\n0.749999 0.574177 0.389401 Ho\n0.749999 0.577504 0.891063 Ho\n0.250000 0.422496 0.108937 Ho\n0.749999 0.077504 0.608937 Ho\n0.250000 0.922496 0.391063 Ho\n0.749999 0.074177 0.110599 Ho\n0.250000 0.710053 0.341928 O\n0.749999 0.289947 0.658072 O\n0.250000 0.930360 0.074424 O\n0.749999 0.884748 0.517476 O\n0.250000 0.115252 0.482525 O\n0.749999 0.384748 0.982525 O\n0.250000 0.615252 0.017475 O\n0.749999 0.481814 0.217550 O\n0.250000 0.518187 0.782450 O\n0.749999 0.981814 0.282450 O\n0.250000 0.018186 0.717551 O\n0.749999 0.569641 0.574424 O\n0.250000 0.430360 0.425576 O\n0.749999 0.069640 0.925576 O\n0.749999 0.789948 0.841929 O\n0.250000 0.210053 0.158072 O\n",
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{
"id": "jvasp-70955",
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"structure_string": "Be1 In1 Sb2\n1.0\n3.781161 0.000000 0.000000\n0.000000 3.781161 0.000000\n0.000000 0.000000 7.175699\nBe In Sb\n1 1 2\ndirect\n0.000000 0.000000 0.324261 Be\n0.500000 0.500000 0.794415 In\n0.000000 0.000000 0.983500 Sb\n0.500000 0.500000 0.397824 Sb\n",
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},
{
"id": "jvasp-90428",
"created_at": "2022-09-04T14:35:42.012030Z",
"updated_at": "2022-09-04T14:35:42.012061Z",
"structure_string": "Ni1 N6 Cl2\n1.0\n-3.866160 -3.866160 -0.000000\n-3.866160 -0.000000 -3.866160\n-0.000000 -3.866160 -3.866160\nNi N Cl\n1 6 2\ndirect\n0.000000 0.000000 0.000000 Ni\n0.761478 0.238522 0.238522 N\n0.761478 0.238522 0.761478 N\n0.761478 0.761478 0.238522 N\n0.238522 0.761478 0.761478 N\n0.238522 0.761478 0.238522 N\n0.238522 0.238522 0.761478 N\n0.250000 0.250000 0.250000 Cl\n0.750000 0.750000 0.750000 Cl\n",
"nsites": 9,
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"elements": [
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"chemical_system": "Cl-N-Ni",
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"density_atomic": 0.07787051449209663,
"volume": 115.57648050358577,
"volume_molar": 7.733531490422102,
"formula_full": "Ni1 N6 Cl2",
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"spacegroup": 225
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{
"id": "jvasp-89948",
"created_at": "2022-09-04T14:35:42.011569Z",
"updated_at": "2022-09-04T14:35:42.011598Z",
"structure_string": "Sr2 Ti2 Sb2 O1 F2\n1.0\n4.110878 -0.000000 -0.000000\n-0.000000 4.110878 -0.000000\n-2.055438 -2.055438 10.524532\nSr Ti Sb O F\n2 2 2 1 2\ndirect\n0.316921 0.316921 0.633844 Sr\n0.683079 0.683079 0.366156 Sr\n0.000000 0.500000 0.000000 Ti\n0.500000 0.000000 0.000000 Ti\n0.903620 0.903620 0.807239 Sb\n0.096380 0.096380 0.192761 Sb\n0.500000 0.500000 0.000000 O\n0.750000 0.250000 0.500000 F\n0.250000 0.750000 0.500000 F\n",
"nsites": 9,
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"density": 5.307623586093512,
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"volume": 177.8574123417624,
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"formula_full": "Sr2 Ti2 Sb2 O1 F2",
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{
"id": "jvasp-86498",
"created_at": "2022-09-04T14:35:42.005757Z",
"updated_at": "2022-09-04T14:35:42.005781Z",
"structure_string": "Ho1 Si2 Os2\n1.0\n3.904937 0.000000 -1.532489\n-0.601424 3.858344 -1.532489\n-0.037657 -0.043981 5.645378\nHo Si Os\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ho\n0.627751 0.627749 0.255500 Si\n0.372250 0.372250 0.744500 Si\n0.250000 0.749999 0.500000 Os\n0.750000 0.250000 0.500000 Os\n",
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"formula_full": "Ho1 Si2 Os2",
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{
"id": "jvasp-94880",
"created_at": "2022-09-04T14:35:42.005702Z",
"updated_at": "2022-09-04T14:35:42.005729Z",
"structure_string": "Dy1 Ga5 Co1\n1.0\n4.216628 -0.000000 0.000000\n-0.000000 4.216628 0.000000\n-0.000000 -0.000000 6.822869\nDy Ga Co\n1 5 1\ndirect\n0.000000 0.000000 0.000000 Dy\n0.500000 0.500000 0.000000 Ga\n0.500000 0.000000 0.689191 Ga\n0.000000 0.500000 0.689191 Ga\n0.500000 0.000000 0.310809 Ga\n0.000000 0.500000 0.310809 Ga\n0.000000 0.000000 0.500000 Co\n",
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"volume": 121.31028120981858,
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"formula_anonymous": "ABC5",
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"spacegroup": 123
},
{
"id": "jvasp-93209",
"created_at": "2022-09-04T14:35:42.005075Z",
"updated_at": "2022-09-04T14:35:42.005102Z",
"structure_string": "K1 Na1 Mg6\n1.0\n7.386756 0.536134 0.000000\n-3.229073 5.592917 0.000000\n0.000000 0.000000 5.276143\nK Na Mg\n1 1 6\ndirect\n0.128688 0.314343 0.250000 K\n0.165836 0.832917 0.250000 Na\n0.649509 0.329561 0.250000 Mg\n0.649509 0.819946 0.250000 Mg\n0.389335 0.194703 0.750000 Mg\n0.389336 0.694633 0.750000 Mg\n0.787731 0.143866 0.750000 Mg\n0.840058 0.670029 0.750000 Mg\n",
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"elements": [
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"density": 1.5202142358284418,
"density_atomic": 0.03522519865014578,
"volume": 227.11014576398685,
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"formula_full": "K1 Na1 Mg6",
"formula_reduced": "KNaMg6",
"formula_anonymous": "ABC6",
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"spacegroup": 38
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{
"id": "jvasp-86761",
"created_at": "2022-09-04T14:35:42.001896Z",
"updated_at": "2022-09-04T14:35:42.001927Z",
"structure_string": "Ca3 Si1 Br2\n1.0\n4.428712 0.093828 0.946956\n2.226987 3.829208 0.946957\n0.543117 0.320127 11.959868\nCa Si Br\n3 1 2\ndirect\n0.789264 0.789265 0.517775 Ca\n0.300481 0.300482 0.121533 Ca\n0.753189 0.753190 0.887625 Ca\n0.025307 0.025307 0.006064 Si\n0.404360 0.404361 0.652089 Br\n0.172400 0.172401 0.390917 Br\n",
"nsites": 6,
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"elements": [
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"Br"
],
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"volume": 197.7332956963319,
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"formula_full": "Ca3 Si1 Br2",
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"formula_anonymous": "AB2C3",
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"spacegroup": 8
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{
"id": "jvasp-71086",
"created_at": "2022-09-04T14:35:42.001521Z",
"updated_at": "2022-09-04T14:35:42.001547Z",
"structure_string": "Be1 Os1 Ru2\n1.0\n2.774293 -0.000000 -0.000000\n0.000000 2.774293 0.000000\n0.000000 -0.000000 6.477789\nBe Os Ru\n1 1 2\ndirect\n0.000000 0.000000 0.497098 Be\n0.499999 0.499999 0.716829 Os\n0.000000 0.000000 0.001058 Ru\n0.499999 0.499999 0.285016 Ru\n",
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{
"id": "jvasp-91682",
"created_at": "2022-09-04T14:35:42.001274Z",
"updated_at": "2022-09-04T14:35:42.001295Z",
"structure_string": "Mg6 Pd2\n1.0\n-2.320393 -4.019343 -0.000000\n-2.320393 4.019343 0.000000\n0.000000 -0.000000 -8.382331\nMg Pd\n6 2\ndirect\n0.000025 0.999973 0.750000 Mg\n0.999973 0.000025 0.250000 Mg\n0.666672 0.333327 0.075850 Mg\n0.333327 0.666672 0.924150 Mg\n0.333327 0.666672 0.575850 Mg\n0.666672 0.333327 0.424149 Mg\n0.666712 0.333287 0.750000 Pd\n0.333287 0.666712 0.250000 Pd\n",
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{
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"created_at": "2022-09-04T14:35:41.999959Z",
"updated_at": "2022-09-04T14:35:41.999987Z",
"structure_string": "Ce1 Co2 P2\n1.0\n3.637245 -0.000000 -1.366980\n-0.513750 3.600779 -1.366980\n0.008344 0.009619 5.544665\nCe Co P\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ce\n0.250000 0.750000 0.500000 Co\n0.750000 0.250000 0.500000 Co\n0.629854 0.629854 0.259708 P\n0.370146 0.370146 0.740292 P\n",
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{
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"created_at": "2022-09-04T14:35:41.996848Z",
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"structure_string": "Be1 Ni4 Os1\n1.0\n-0.000000 3.262916 3.262916\n3.262916 0.000000 3.262916\n3.262916 3.262916 0.000000\nBe Ni Os\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.124094 0.625303 0.625303 Ni\n0.625303 0.625303 0.625303 Ni\n0.625303 0.124094 0.625303 Ni\n0.625303 0.625303 0.124094 Ni\n0.250000 0.250000 0.250000 Os\n",
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}