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{
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{
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{
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"formula_full": "Ca3 Sb1 P1",
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{
"id": "jvasp-36467",
"created_at": "2022-09-04T14:37:30.080547Z",
"updated_at": "2022-09-04T14:37:30.080574Z",
"structure_string": "Ca3 Sb1 P1\n1.0\n5.360682 0.000000 0.000000\n0.000000 5.360682 0.000000\n0.000000 0.000000 5.360682\nCa Sb P\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Ca\n0.500000 0.000000 0.500000 Ca\n0.500000 0.500000 0.000000 Ca\n0.000000 0.000000 0.000000 Sb\n0.500000 0.500000 0.500000 P\n",
"nsites": 5,
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"formula_full": "Ca3 Sb1 P1",
"formula_reduced": "Ca3SbP",
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},
{
"id": "jvasp-36463",
"created_at": "2022-09-04T14:37:28.194507Z",
"updated_at": "2022-09-04T14:37:28.194528Z",
"structure_string": "Ca3 Sb2\n1.0\n5.742690 0.000000 0.000000\n0.000000 5.742690 0.000000\n0.000000 0.000000 5.742690\nCa Sb\n3 2\ndirect\n0.000000 0.500000 0.500000 Ca\n0.500000 0.000000 0.500000 Ca\n0.500000 0.500000 0.000000 Ca\n0.000000 0.000000 0.000000 Sb\n0.500000 0.500000 0.500000 Sb\n",
"nsites": 5,
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"elements": [
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"volume": 189.38523575710707,
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"formula_full": "Ca3 Sb2",
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"formula_anonymous": "A2B3",
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},
{
"id": "jvasp-56960",
"created_at": "2022-09-04T14:37:30.433572Z",
"updated_at": "2022-09-04T14:37:30.433592Z",
"structure_string": "Ca3 Si1 Br2\n1.0\n2.016192 -3.492147 -0.000000\n2.016192 3.492147 -0.000000\n-0.000000 0.000000 12.000256\nCa Si Br\n3 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.000000 0.649540 Ca\n0.000000 0.000000 0.350461 Ca\n0.666667 0.333332 0.500000 Si\n0.333332 0.666667 0.827611 Br\n0.333332 0.666667 0.172389 Br\n",
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"elements": [
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"volume": 168.98373717086426,
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"formula_full": "Ca3 Si1 Br2",
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{
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"updated_at": "2022-09-04T14:36:33.197889Z",
"structure_string": "Ca3 Si1 Br2\n1.0\n4.290520 0.108827 10.774529\n2.154919 3.711702 10.774529\n0.183597 0.108827 11.595919\nCa Si Br\n3 1 2\ndirect\n0.119957 0.119957 0.119957 Ca\n-0.000501 -0.000501 -0.000501 Ca\n0.900727 0.900728 0.900725 Ca\n0.283823 0.283823 0.283822 Si\n0.503651 0.503651 0.503650 Br\n0.735344 0.735344 0.735342 Br\n",
"nsites": 6,
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"spacegroup": 160
},
{
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"created_at": "2022-09-04T14:36:06.593308Z",
"updated_at": "2022-09-04T14:36:06.593332Z",
"structure_string": "Ca3 Si1 Br2\n1.0\n4.126462 0.000000 -0.937391\n-0.212943 4.120963 -0.937391\n0.063891 0.067278 9.832439\nCa Si Br\n3 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.648079 0.648078 0.296157 Ca\n0.351921 0.351922 0.703843 Ca\n0.500000 0.500000 0.000000 Si\n0.815701 0.815701 0.631402 Br\n0.184299 0.184299 0.368598 Br\n",
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},
{
"id": "jvasp-86159",
"created_at": "2022-09-04T14:36:02.851669Z",
"updated_at": "2022-09-04T14:36:02.851691Z",
"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",
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"spacegroup": 8
},
{
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"created_at": "2022-09-04T14:36:02.346597Z",
"updated_at": "2022-09-04T14:36:02.346620Z",
"structure_string": "Ca3 Si1 Br2\n1.0\n4.363838 0.064290 10.666128\n2.149699 3.798158 10.666128\n0.108418 0.064290 11.523784\nCa Si Br\n3 1 2\ndirect\n0.124154 0.124154 0.124154 Ca\n0.000000 0.000000 0.000000 Ca\n0.875847 0.875846 0.875845 Ca\n0.500000 0.500000 0.499999 Si\n0.714702 0.714702 0.714701 Br\n0.285298 0.285298 0.285298 Br\n",
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},
{
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"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",
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{
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"structure_string": "Ca3 Si1 Br2\n1.0\n4.144702 -0.000029 -1.261663\n-0.727299 5.340844 -2.389039\n0.051033 0.154940 7.605963\nCa Si Br\n3 1 2\ndirect\n0.358314 0.358313 0.716613 Ca\n0.000000 0.000000 0.000000 Ca\n0.641685 0.641686 0.283386 Ca\n-0.000000 0.500000 -0.000000 Si\n0.320171 0.820139 0.640279 Br\n0.679827 0.179861 0.359721 Br\n",
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