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{
"id": "jvasp-114719",
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{
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"structure_string": "Ca1 Zr1 Be1\n1.0\n-1.631621 1.631621 6.177014\n1.631621 -1.631621 6.177014\n1.631621 1.631621 -6.177014\nCa Zr Be\n1 1 1\ndirect\n0.355115 0.355115 0.000000 Ca\n0.625488 0.625488 0.000000 Zr\n0.019397 0.019397 0.000000 Be\n",
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"volume": 65.77746764391074,
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{
"id": "jvasp-123380",
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"updated_at": "2022-09-04T14:38:54.354095Z",
"structure_string": "Ca1 Zr1\n1.0\n1.653644 -2.864193 0.000000\n1.653644 2.864193 0.000000\n0.000000 0.000000 5.821193\nCa Zr\n1 1\ndirect\n0.666665 0.333332 0.250000 Ca\n0.333332 0.666665 0.750000 Zr\n",
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"elements": [
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"density_atomic": 0.03626967826451895,
"volume": 55.14247977094721,
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"formula_full": "Ca1 Zr1",
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"spacegroup": 187
},
{
"id": "jvasp-19953",
"created_at": "2022-09-04T14:37:36.075517Z",
"updated_at": "2022-09-04T14:37:36.075545Z",
"structure_string": "Ca1 Zn5\n1.0\n2.694135 -4.666379 -0.000000\n2.694135 4.666379 0.000000\n0.000000 0.000000 4.235775\nCa Zn\n1 5\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.499999 Zn\n0.500000 0.000000 0.499999 Zn\n0.500001 0.500001 0.499999 Zn\n0.333334 0.666668 0.000000 Zn\n0.666668 0.333334 0.000000 Zn\n",
"nsites": 6,
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"elements": [
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"density": 5.723984508698954,
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"volume": 106.50309811651766,
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"formula_full": "Ca1 Zn5",
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"spacegroup": 191
},
{
"id": "jvasp-91944",
"created_at": "2022-09-04T14:35:57.025889Z",
"updated_at": "2022-09-04T14:35:57.025916Z",
"structure_string": "Ca1 Zn3 Se4\n1.0\n5.932553 -0.000000 -0.000000\n0.000000 5.932553 0.000000\n-0.000000 0.000000 5.932553\nCa Zn Se\n1 3 4\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.500000 Zn\n0.500000 0.500000 0.000000 Zn\n0.500000 0.000000 0.500000 Zn\n0.731520 0.731520 0.268479 Se\n0.731520 0.268479 0.731520 Se\n0.268479 0.731520 0.731520 Se\n0.268479 0.268479 0.268479 Se\n",
"nsites": 8,
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"volume": 208.7973009375621,
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"formula_full": "Ca1 Zn3 Se4",
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"spacegroup": 215
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{
"id": "jvasp-80533",
"created_at": "2022-09-04T14:37:14.685769Z",
"updated_at": "2022-09-04T14:37:14.685796Z",
"structure_string": "Ca1 Zn3\n1.0\n4.328115 -0.000000 0.000000\n-0.000000 4.328115 0.000000\n0.000000 -0.000000 4.328115\nCa Zn\n1 3\ndirect\n0.000000 0.000000 0.000000 Ca\n0.499999 0.499999 0.000000 Zn\n0.499999 0.000000 0.499999 Zn\n0.000000 0.499999 0.499999 Zn\n",
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"elements": [
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"density": 4.839780144529162,
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"volume": 81.07675812019494,
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"formula_full": "Ca1 Zn3",
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{
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"updated_at": "2022-09-04T14:37:43.928872Z",
"structure_string": "Ca1 Zn2 Si2\n1.0\n3.992286 0.000000 -1.465307\n-0.537817 3.955895 -1.465307\n-0.090993 -0.104202 5.923311\nCa Zn Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.750001 0.250000 0.500000 Zn\n0.250000 0.749999 0.499999 Zn\n0.615374 0.615373 0.230748 Si\n0.384627 0.384626 0.769251 Si\n",
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],
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"density": 4.083845213877844,
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"volume": 92.32808896731623,
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"formula_full": "Ca1 Zn2 Si2",
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"formula_anonymous": "AB2C2",
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"spacegroup": 139
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{
"id": "jvasp-15806",
"created_at": "2022-09-04T14:36:53.778536Z",
"updated_at": "2022-09-04T14:36:53.778556Z",
"structure_string": "Ca1 Zn2 Sb2\n1.0\n2.243378 -3.885644 0.000000\n2.243378 3.885644 -0.000000\n0.000000 0.000000 7.429067\nCa Zn Sb\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.333334 0.666667 0.365798 Zn\n0.666667 0.333334 0.634202 Zn\n0.333334 0.666667 0.745395 Sb\n0.666667 0.333334 0.254605 Sb\n",
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{
"id": "jvasp-51412",
"created_at": "2022-09-04T14:37:13.219170Z",
"updated_at": "2022-09-04T14:37:13.219199Z",
"structure_string": "Ca1 Zn2 P2 O2\n1.0\n4.491826 0.000313 -0.000003\n-2.245641 3.889566 -0.000000\n0.000381 0.000219 6.974195\nCa Zn P O\n1 2 2 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.333367 0.666684 0.251798 Zn\n0.666634 0.333317 0.748203 Zn\n0.333330 0.666665 0.749102 P\n0.666671 0.333335 0.250899 P\n0.333263 0.666631 0.526388 O\n0.666739 0.333369 0.473613 O\n",
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{
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"created_at": "2022-09-04T14:36:41.332426Z",
"updated_at": "2022-09-04T14:36:41.332452Z",
"structure_string": "Ca1 Zn2 P2\n1.0\n2.023751 -3.505240 0.000000\n2.023751 3.505240 0.000000\n0.000000 0.000000 6.821943\nCa Zn P\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.333333 0.666667 0.635146 Zn\n0.666667 0.333333 0.364853 Zn\n0.666667 0.333333 0.740273 P\n0.333333 0.666667 0.259727 P\n",
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},
{
"id": "jvasp-92268",
"created_at": "2022-09-04T14:36:12.470691Z",
"updated_at": "2022-09-04T14:36:12.470710Z",
"structure_string": "Ca1 Zn2 N2\n1.0\n3.466670 0.000003 0.000003\n-1.733333 3.002220 -0.000000\n0.000005 0.000003 6.031668\nCa Zn N\n1 2 2\ndirect\n-0.000001 -0.000000 0.500000 Ca\n0.666668 0.333333 0.140678 Zn\n0.333331 0.666665 0.859322 Zn\n0.666663 0.333331 0.758033 N\n0.333336 0.666667 0.241966 N\n",
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