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{
"id": "jvasp-7916",
"created_at": "2022-09-04T14:36:44.041091Z",
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"structure_string": "U1 Ge2 Pt2\n1.0\n4.076738 -0.000000 -1.645218\n-0.663948 4.022309 -1.645218\n-0.022639 -0.026683 5.817451\nU Ge Pt\n1 2 2\ndirect\n0.000000 0.000000 0.000000 U\n0.623177 0.623177 0.246353 Ge\n0.376823 0.376824 0.753647 Ge\n0.250000 0.750001 0.500000 Pt\n0.750000 0.250000 0.500000 Pt\n",
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{
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{
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"created_at": "2022-09-04T14:38:54.418893Z",
"updated_at": "2022-09-04T14:38:54.418908Z",
"structure_string": "Mn8 Br4 O12\n1.0\n5.821269 -0.000000 0.000000\n0.000000 6.561633 0.000000\n-0.000000 -0.000000 8.396976\nMn Br O\n8 4 12\ndirect\n0.500000 0.000000 0.500000 Mn\n-0.000000 0.500000 -0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.684689 0.250000 0.249882 Mn\n0.184689 0.250000 0.250118 Mn\n0.315312 0.750000 0.750118 Mn\n0.815312 0.750000 0.749883 Mn\n0.149438 0.250000 0.545405 Br\n0.649438 0.250000 0.954595 Br\n0.850562 0.750000 0.454595 Br\n0.350562 0.750000 0.045405 Br\n0.937728 0.441211 0.221469 O\n0.676391 0.250000 0.479199 O\n0.176391 0.250000 0.020801 O\n0.323609 0.750000 0.520802 O\n0.823609 0.750000 0.979199 O\n0.937728 0.058789 0.221469 O\n0.437727 0.441211 0.278531 O\n0.062273 0.558789 0.778532 O\n0.562273 0.941210 0.721469 O\n0.062273 0.941210 0.778532 O\n0.562273 0.558789 0.721469 O\n0.437727 0.058789 0.278531 O\n",
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"formula_full": "Mn8 Br4 O12",
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"spacegroup": 62
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{
"id": "jvasp-74847",
"created_at": "2022-09-04T14:36:03.765126Z",
"updated_at": "2022-09-04T14:36:03.765152Z",
"structure_string": "Ta1 Be2 Cl1\n1.0\n2.875733 0.000000 0.000000\n0.000000 2.875733 0.000000\n0.000000 0.000000 7.732156\nTa Be Cl\n1 2 1\ndirect\n0.499999 0.499999 0.789516 Ta\n0.000000 0.000000 0.015043 Be\n0.499999 0.499999 0.125551 Be\n0.000000 0.000000 0.569893 Cl\n",
"nsites": 4,
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{
"id": "jvasp-108777",
"created_at": "2022-09-04T14:38:16.670820Z",
"updated_at": "2022-09-04T14:38:16.670847Z",
"structure_string": "Ge2 Mo2 As2\n1.0\n4.377055 -0.004104 2.305991\n3.126996 3.062765 2.305991\n0.011491 0.004684 7.727567\nGe Mo As\n2 2 2\ndirect\n0.396818 0.396815 0.897027 Ge\n0.603185 0.603184 0.102973 Ge\n0.154611 0.154609 0.799056 Mo\n0.845392 0.845389 0.200944 Mo\n0.854701 0.854697 0.537013 As\n0.145302 0.145301 0.462987 As\n",
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{
"id": "jvasp-119692",
"created_at": "2022-09-04T14:38:50.390135Z",
"updated_at": "2022-09-04T14:38:50.390173Z",
"structure_string": "V6 O8 F4\n1.0\n4.623959 -0.027189 0.012688\n0.045246 7.518622 -0.608680\n-0.015538 -0.035980 5.489860\nV O F\n6 8 4\ndirect\n0.010249 0.675185 0.689441 V\n0.513333 0.355747 0.824556 V\n0.013340 0.977589 0.008777 V\n0.510260 0.658143 0.143909 V\n0.470910 0.012178 0.482745 V\n0.970909 0.321153 0.350585 V\n0.200845 0.905027 0.697420 O\n0.700854 0.428312 0.135912 O\n0.298490 0.569462 0.864568 O\n0.798487 0.763867 0.968779 O\n0.802683 0.092480 0.296845 O\n0.305424 0.889867 0.200413 O\n0.805429 0.443464 0.632908 O\n0.302690 0.240845 0.536474 O\n0.696425 0.766327 0.465924 F\n0.701633 0.105701 0.799554 F\n0.201597 0.227651 0.033758 F\n0.196447 0.567000 0.367436 F\n",
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"volume": 190.76606598259386,
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"formula_full": "V6 O8 F4",
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"spacegroup": 4
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{
"id": "jvasp-44767",
"created_at": "2022-09-04T14:38:07.740561Z",
"updated_at": "2022-09-04T14:38:07.740588Z",
"structure_string": "Li2 V2 Fe2 O8\n1.0\n5.839708 -0.239325 -0.090237\n0.207213 5.840936 0.090237\n-3.007133 -2.818431 4.145023\nLi V Fe O\n2 2 2 8\ndirect\n0.000000 -0.000000 0.500000 Li\n-0.000000 0.500001 0.000000 Li\n0.376928 0.626928 0.750000 V\n0.623072 0.373072 0.250000 V\n0.000000 0.000000 0.000000 Fe\n0.500000 -0.000001 0.499999 Fe\n0.253576 0.255769 0.502193 O\n0.261916 0.752920 0.508997 O\n0.743923 0.752920 0.991002 O\n0.746424 0.248617 0.002193 O\n0.253575 0.751382 -0.002193 O\n0.256077 0.247080 0.008997 O\n0.738084 0.247080 0.491002 O\n0.746424 0.744231 0.497806 O\n",
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],
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"density": 4.168132996521929,
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"volume": 141.60751200196927,
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"formula_full": "Li2 V2 Fe2 O8",
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"formula_anonymous": "ABCD4",
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{
"id": "jvasp-11008",
"created_at": "2022-09-04T14:37:07.032811Z",
"updated_at": "2022-09-04T14:37:07.032836Z",
"structure_string": "Tm6 Fe2 Si6\n1.0\n4.064049 -0.000000 0.670657\n2.003289 5.165074 0.509462\n0.002764 -0.042337 12.632242\nTm Fe Si\n6 2 6\ndirect\n0.748666 0.732288 0.770380 Tm\n0.251334 0.267711 0.229620 Tm\n0.523872 0.331975 0.620281 Tm\n0.476128 0.668024 0.379719 Tm\n0.399363 0.282262 0.919010 Tm\n0.600637 0.717737 0.080990 Tm\n0.752800 0.079323 0.415076 Fe\n0.247200 0.920675 0.584924 Fe\n0.143563 0.256747 0.456127 Si\n0.856438 0.743252 0.543873 Si\n0.116365 0.842510 0.924756 Si\n0.883635 0.157488 0.075244 Si\n0.053391 0.135317 0.757900 Si\n0.946610 0.864682 0.242100 Si\n",
"nsites": 14,
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"formula_full": "Tm6 Fe2 Si6",
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{
"id": "jvasp-16060",
"created_at": "2022-09-04T14:36:42.705316Z",
"updated_at": "2022-09-04T14:36:42.705327Z",
"structure_string": "Tm1 Si2 Rh2\n1.0\n3.792054 -0.000000 -1.429824\n-0.539126 3.753534 -1.429824\n-0.006844 -0.007898 5.725236\nTm Si Rh\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Tm\n0.620676 0.620676 0.241355 Si\n0.379323 0.379322 0.758647 Si\n0.249999 0.749999 0.500001 Rh\n0.749999 0.249999 0.500001 Rh\n",
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{
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"structure_string": "Mn1 Ga1 Fe2\n1.0\n2.842413 2.842413 -0.000000\n2.842413 -0.000000 -2.842413\n-0.000000 2.842413 -2.842413\nMn Ga Fe\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.499999 0.499999 0.499999 Ga\n0.250000 0.250000 0.250000 Fe\n0.749999 0.749999 0.749999 Fe\n",
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{
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"structure_string": "Mn1 Ga1 Fe2\n1.0\n-2.842469 -2.842469 0.000000\n-2.842469 0.000000 -2.842469\n-0.000000 -2.842469 -2.842469\nMn Ga Fe\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Ga\n0.250000 0.250000 0.250000 Fe\n0.750000 0.750000 0.750000 Fe\n",
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{
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}