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{
"id": "jvasp-15724",
"created_at": "2022-09-04T14:36:55.982119Z",
"updated_at": "2022-09-04T14:36:55.982139Z",
"structure_string": "Sr1 Nb1 O3\n1.0\n4.084495 -0.000000 0.000000\n-0.000000 4.084495 -0.000000\n0.000000 -0.000000 4.084495\nSr Nb O\n1 1 3\ndirect\n0.500001 0.500001 0.500001 Sr\n0.000000 0.000000 0.000000 Nb\n0.000000 0.500001 0.000000 O\n0.000000 0.000000 0.500001 O\n0.500001 0.000000 0.000000 O\n",
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{
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"structure_string": "Sr1 Nb6 O16\n1.0\n3.922420 0.000000 0.000000\n0.000000 8.576791 -3.209449\n0.000000 0.059500 9.157420\nSr Nb O\n1 6 16\ndirect\n0.500000 0.398505 0.601495 Sr\n0.000000 0.627398 0.999894 Nb\n0.000000 0.207842 0.792158 Nb\n0.000000 0.741519 0.621213 Nb\n0.000000 0.378787 0.258481 Nb\n0.000000 0.000105 0.372601 Nb\n0.000000 0.994219 0.005781 Nb\n0.000000 0.188423 0.557154 O\n0.000000 0.236760 0.014207 O\n0.000000 0.985793 0.763240 O\n0.500000 0.625761 0.001653 O\n0.000000 0.509916 0.490084 O\n0.500000 0.707334 0.633589 O\n0.500000 0.224469 0.775531 O\n0.500000 0.003802 0.996198 O\n0.000000 0.442846 0.811577 O\n0.000000 0.145646 0.238320 O\n0.000000 0.761680 0.854354 O\n0.000000 0.830456 0.463253 O\n0.000000 0.536747 0.169544 O\n0.000000 0.857235 0.142764 O\n0.500000 0.366411 0.292666 O\n0.500000 0.998346 0.374238 O\n",
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{
"id": "jvasp-100343",
"created_at": "2022-09-04T14:36:38.470859Z",
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"structure_string": "Sr1 Nd1 Al1 O4\n1.0\n3.612935 0.005783 -5.719809\n-0.297677 3.600655 -5.719809\n-0.005316 -0.005783 6.765314\nSr Nd Al O\n1 1 1 4\ndirect\n0.643772 0.643774 -0.000001 Sr\n0.359447 0.359448 -0.000001 Nd\n0.004276 0.004276 -0.000000 Al\n0.838927 0.838929 -0.000001 O\n0.165409 0.165409 -0.000000 O\n0.994080 0.494082 0.499998 O\n0.494080 0.994083 0.499999 O\n",
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"elements": [
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"density_atomic": 0.07974254743005617,
"volume": 87.78249787091194,
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"formula_full": "Sr1 Nd1 Al1 O4",
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"formula_anonymous": "ABCD4",
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"spacegroup": 107
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{
"id": "jvasp-106731",
"created_at": "2022-09-04T14:36:49.960322Z",
"updated_at": "2022-09-04T14:36:49.960347Z",
"structure_string": "Sr1 Nd1 Co1 O4\n1.0\n3.619457 -0.014156 -5.645667\n-0.322662 3.605074 -5.645667\n0.012996 0.014156 6.706255\nSr Nd Co O\n1 1 1 4\ndirect\n0.641600 0.641598 -0.000001 Sr\n0.361726 0.361724 -0.000001 Nd\n0.006712 0.006712 -0.000000 Co\n0.839683 0.839680 -0.000002 O\n0.168436 0.168436 -0.000000 O\n0.990924 0.490921 0.499999 O\n0.490924 0.990921 0.499999 O\n",
"nsites": 7,
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"elements": [
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"chemical_system": "Co-Nd-O-Sr",
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{
"id": "jvasp-108071",
"created_at": "2022-09-04T14:36:00.477832Z",
"updated_at": "2022-09-04T14:36:00.477856Z",
"structure_string": "Sr1 Nd1 Fe1 O4\n1.0\n3.702602 0.112792 -5.881257\n-0.213443 3.698165 -5.881257\n-0.103268 -0.112792 6.948941\nSr Nd Fe O\n1 1 1 4\ndirect\n0.643605 0.643605 0.000000 Sr\n0.357692 0.357692 0.000000 Nd\n0.000552 0.000552 0.000000 Fe\n0.833398 0.833398 0.000000 O\n0.177025 0.177025 0.000000 O\n0.993864 0.493865 0.499999 O\n0.493865 0.993865 0.500001 O\n",
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{
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"created_at": "2022-09-04T14:38:37.074081Z",
"updated_at": "2022-09-04T14:38:37.074105Z",
"structure_string": "Sr1 Nd1 Ga1 O4\n1.0\n3.697548 0.012152 -5.740620\n-0.309818 3.684565 -5.740620\n-0.011136 -0.012152 6.828356\nSr Nd Ga O\n1 1 1 4\ndirect\n0.643796 0.643796 0.000000 Sr\n0.359975 0.359975 0.000000 Nd\n0.006399 0.006399 0.000000 Ga\n0.992108 0.492109 0.500000 O\n0.492108 0.992110 0.500001 O\n0.834737 0.834737 0.000000 O\n0.170877 0.170877 0.000000 O\n",
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"formula_full": "Sr1 Nd1 Ga1 O4",
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{
"id": "jvasp-110539",
"created_at": "2022-09-04T14:38:39.665466Z",
"updated_at": "2022-09-04T14:38:39.665487Z",
"structure_string": "Sr1 Nd1 Mn1 Co1 O6\n1.0\n4.672582 0.000000 2.697717\n1.557527 4.405353 2.697717\n0.000000 0.000000 5.395434\nSr Nd Mn Co O\n1 1 1 1 6\ndirect\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Nd\n0.750000 0.749999 0.750001 Mn\n0.250000 0.250000 0.250000 Co\n0.500211 0.500211 -0.000211 O\n-0.000211 -0.000211 0.500211 O\n-0.000211 0.500211 0.500211 O\n0.500211 -0.000211 -0.000211 O\n0.500211 -0.000211 0.500211 O\n-0.000211 0.500211 -0.000211 O\n",
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"elements": [
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"density": 6.604525308519815,
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"volume": 111.06162666209022,
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"formula_full": "Sr1 Nd1 Mn1 Co1 O6",
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{
"id": "jvasp-108735",
"created_at": "2022-09-04T14:38:18.442582Z",
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"structure_string": "Sr1 Nd1 Mn1 O4\n1.0\n3.662219 -0.030967 -5.765486\n-0.335652 3.646936 -5.765486\n0.028488 0.030967 6.830217\nSr Nd Mn O\n1 1 1 4\ndirect\n0.643009 0.643008 -0.000000 Sr\n0.360150 0.360150 -0.000000 Nd\n0.002558 0.002558 -0.000000 Mn\n0.835063 0.835062 -0.000000 O\n0.173417 0.173417 -0.000000 O\n0.992903 0.492902 0.500000 O\n0.492903 0.992903 0.500001 O\n",
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{
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"structure_string": "Sr1 Nd1 V1 O4\n1.0\n3.704468 0.006470 -5.724499\n-0.317714 3.690824 -5.724499\n-0.005927 -0.006470 6.818573\nSr Nd V O\n1 1 1 4\ndirect\n0.643896 0.643895 0.000000 Sr\n0.359069 0.359068 0.000000 Nd\n0.002097 0.002097 0.000000 V\n0.993290 0.493289 0.500000 O\n0.493290 0.993288 0.499999 O\n0.835549 0.835547 0.000000 O\n0.172813 0.172813 0.000000 O\n",
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{
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"created_at": "2022-09-04T14:38:35.573363Z",
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"structure_string": "Sr1 Nd5 S8\n1.0\n7.471232 0.000536 -0.000927\n-2.489906 7.044123 0.000927\n-2.491421 -3.521793 6.099926\nSr Nd S\n1 5 8\ndirect\n0.125000 0.750001 0.875001 Sr\n0.246906 0.624232 0.372541 Nd\n0.375000 0.250001 0.625000 Nd\n0.748309 0.875769 0.122675 Nd\n0.627459 0.374365 0.251690 Nd\n0.877325 0.125636 0.753094 Nd\n0.996593 0.853215 0.493724 S\n0.150470 0.154247 0.153520 S\n0.506276 0.002870 0.359490 S\n0.356620 0.497130 0.003406 S\n0.640509 0.646786 0.643380 S\n0.503778 0.003051 0.849531 S\n0.846480 0.496950 0.000727 S\n0.999273 0.345754 0.496222 S\n",
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{
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"structure_string": "Sr1 Ni1 F6\n1.0\n4.629598 -0.007440 -0.748011\n-0.877403 4.545700 -0.748011\n-0.006151 -0.007440 4.689633\nSr Ni F\n1 1 6\ndirect\n0.500001 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Ni\n0.720634 0.720633 0.068533 F\n0.720633 0.068532 0.720633 F\n0.279368 0.931468 0.279367 F\n0.279368 0.279367 0.931467 F\n0.931468 0.279367 0.279367 F\n0.068533 0.720633 0.720633 F\n",
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{
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"structure_string": "Sr1 Ni1 Ir2\n1.0\n-0.000000 3.271496 3.271496\n3.271496 0.000000 3.271496\n3.271496 3.271496 -0.000000\nSr Ni Ir\n1 1 2\ndirect\n0.500001 0.500001 0.500001 Sr\n0.000000 0.000000 0.000000 Ni\n0.250000 0.250000 0.250000 Ir\n0.750001 0.750001 0.750001 Ir\n",
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}