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{
"id": "jvasp-1696",
"created_at": "2022-09-04T14:36:21.596032Z",
"updated_at": "2022-09-04T14:36:21.596051Z",
"structure_string": "Ba1 Li1 As1\n1.0\n2.258465 -3.911776 -0.000000\n2.258465 3.911776 0.000000\n-0.000000 -0.000000 4.594273\nBa Li As\n1 1 1\ndirect\n0.666666 0.333332 0.000000 Ba\n0.000000 0.000000 0.500000 Li\n0.333332 0.666666 0.500000 As\n",
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{
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"structure_string": "Ba1 Mg2 As2\n1.0\n2.247716 -3.893158 0.000000\n2.247716 3.893158 0.000000\n0.000000 0.000000 7.757581\nBa Mg As\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.666668 0.333334 0.376427 Mg\n0.333334 0.666668 0.623573 Mg\n0.666668 0.333334 0.726748 As\n0.333334 0.666668 0.273252 As\n",
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{
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"structure_string": "Ba1 Mg2 As2\n1.0\n-2.247775 -3.893277 -0.000033\n-2.247782 3.893279 -0.000001\n-0.000059 -0.000032 -7.757320\nBa Mg As\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.333336 0.666668 0.623592 Mg\n0.666665 0.333332 0.376408 Mg\n0.333330 0.666665 0.273234 As\n0.666671 0.333336 0.726766 As\n",
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"formula_full": "Ba1 Mg2 As2",
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"spacegroup": 164
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{
"id": "jvasp-17300",
"created_at": "2022-09-04T14:38:30.113578Z",
"updated_at": "2022-09-04T14:38:30.113595Z",
"structure_string": "Ba1 Mn2 As2\n1.0\n3.741071 0.000000 -1.101501\n-0.324321 3.726987 -1.101501\n0.113057 0.123322 7.287699\nBa Mn As\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.250001 0.750000 0.500000 Mn\n0.750000 0.250000 0.500000 Mn\n0.644802 0.644802 0.289604 As\n0.355199 0.355198 0.710397 As\n",
"nsites": 5,
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],
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"density": 6.4242664103822245,
"density_atomic": 0.04871955435779462,
"volume": 102.62819654055502,
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"formula_full": "Ba1 Mn2 As2",
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"formula_anonymous": "AB2C2",
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{
"id": "jvasp-57195",
"created_at": "2022-09-04T14:36:36.454377Z",
"updated_at": "2022-09-04T14:36:36.454399Z",
"structure_string": "Ba2 Mn2 As2 O1\n1.0\n4.190207 0.001125 0.002342\n2.095251 6.046475 -0.060419\n2.089871 2.009145 6.331273\nBa Mn As O\n2 2 2 1\ndirect\n0.949312 0.808040 0.293618 Ba\n0.049986 0.194276 0.706386 Ba\n0.690626 0.696740 0.922296 Mn\n0.308671 0.305566 0.077713 Mn\n0.312628 0.641009 0.734016 As\n0.686664 0.361303 0.265994 As\n0.499646 0.001156 0.000006 O\n",
"nsites": 7,
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"elements": [
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],
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"density": 5.680625681055954,
"density_atomic": 0.04350991548582894,
"volume": 160.8828682344805,
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"formula_full": "Ba2 Mn2 As2 O1",
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"formula_anonymous": "AB2C2D2",
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"spacegroup": 12
},
{
"id": "jvasp-17460",
"created_at": "2022-09-04T14:37:45.844908Z",
"updated_at": "2022-09-04T14:37:45.844935Z",
"structure_string": "Ba2 Mn3 As2 O2\n1.0\n3.766933 0.000000 -0.791343\n-0.166242 3.763263 -0.791343\n0.391001 0.408654 11.222541\nBa Mn As O\n2 3 2 2\ndirect\n0.590885 0.590883 0.181769 Ba\n0.409116 0.409115 0.818232 Ba\n0.000000 0.000000 0.000000 Mn\n0.749999 0.249998 0.500000 Mn\n0.250000 0.750000 0.500000 Mn\n0.184227 0.184226 0.368455 As\n0.815774 0.815772 0.631547 As\n0.999998 0.500000 0.000000 O\n0.499999 -0.000000 0.000000 O\n",
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"volume": 161.52663274644857,
"volume_molar": 10.808179098754875,
"formula_full": "Ba2 Mn3 As2 O2",
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"formula_anonymous": "A2B2C2D3",
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"spacegroup": 139
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{
"id": "jvasp-101254",
"created_at": "2022-09-04T14:36:45.208840Z",
"updated_at": "2022-09-04T14:36:45.208875Z",
"structure_string": "Ba2 Mn2 As2 O1\n1.0\n3.965005 -0.000702 -1.249453\n2.526565 5.736355 1.098696\n0.015345 -0.066339 6.964860\nBa Mn As O\n2 2 2 1\ndirect\n0.757694 0.191684 0.707074 Ba\n0.242310 0.808318 0.292927 Ba\n0.616613 0.691159 0.924355 Mn\n0.383390 0.308843 0.075646 Mn\n0.951554 0.361030 0.264141 As\n0.048449 0.638972 0.735861 As\n0.500001 -0.000000 -0.000000 O\n",
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"density": 5.746658322751521,
"density_atomic": 0.04401568277640424,
"volume": 159.03422504109224,
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"formula_full": "Ba2 Mn2 As2 O1",
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"formula_anonymous": "AB2C2D2",
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"spacegroup": 12
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{
"id": "jvasp-3366",
"created_at": "2022-09-04T14:35:41.491929Z",
"updated_at": "2022-09-04T14:35:41.491961Z",
"structure_string": "Ba2 Mn1 Zn2 As2 O2\n1.0\n4.128116 -0.000000 -0.877240\n-0.186417 4.123905 -0.877240\n0.045336 0.047432 10.365007\nBa Mn Zn As O\n2 1 2 2 2\ndirect\n0.591487 0.591486 0.182972 Ba\n0.408514 0.408513 0.817028 Ba\n0.000000 0.000000 0.000000 Mn\n0.750001 0.250000 0.500000 Zn\n0.250000 0.749999 0.500000 Zn\n0.173651 0.173650 0.347303 As\n0.826351 0.826349 0.652698 As\n-0.000000 0.499999 -0.000000 O\n0.500001 -0.000000 0.000000 O\n",
"nsites": 9,
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"elements": [
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],
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"density": 6.032255801654886,
"density_atomic": 0.05090584677764881,
"volume": 176.7969804983506,
"volume_molar": 11.82995891671158,
"formula_full": "Ba2 Mn1 Zn2 As2 O2",
"formula_reduced": "Ba2MnZn2(AsO)2",
"formula_anonymous": "AB2C2D2E2",
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"spacegroup": 139
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{
"id": "jvasp-36500",
"created_at": "2022-09-04T14:37:27.652489Z",
"updated_at": "2022-09-04T14:37:27.652510Z",
"structure_string": "Ba3 As1 N1\n1.0\n6.135597 0.000000 -0.000000\n-0.000000 6.135597 0.000000\n0.000000 0.000000 6.135597\nBa As N\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Ba\n0.500000 0.000000 0.500000 Ba\n0.500000 0.500000 0.000000 Ba\n0.500000 0.500000 0.500000 As\n0.000000 0.000000 0.000000 N\n",
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"density": 3.6011209914791578,
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"volume": 230.9779269958954,
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"formula_anonymous": "ABC3",
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"spacegroup": 221
},
{
"id": "jvasp-36511",
"created_at": "2022-09-04T14:37:31.335083Z",
"updated_at": "2022-09-04T14:37:31.335100Z",
"structure_string": "Ba3 As1 N1\n1.0\n5.447017 -0.000000 -0.000000\n0.000000 5.447017 -0.000000\n0.000000 0.000000 5.447017\nBa As N\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Ba\n0.500000 0.000000 0.500000 Ba\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.000000 As\n0.500000 0.500000 0.500000 N\n",
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},
{
"id": "jvasp-92721",
"created_at": "2022-09-04T14:36:20.331431Z",
"updated_at": "2022-09-04T14:36:20.331457Z",
"structure_string": "Ba1 Ni2 As2\n1.0\n2.613004 -3.023598 -1.272638\n2.608039 3.014889 -1.302113\n0.042150 0.029990 6.429592\nBa Ni As\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.777222 0.222832 0.500018 Ni\n0.222778 0.777167 0.499982 Ni\n0.635366 0.635304 0.310201 As\n0.364634 0.364695 0.689798 As\n",
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{
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"created_at": "2022-09-04T14:35:54.565909Z",
"updated_at": "2022-09-04T14:35:54.565924Z",
"structure_string": "Ba1 Ni2 As2\n1.0\n3.938529 0.000000 -1.319382\n-0.441986 3.913649 -1.319382\n0.015136 0.016941 6.583383\nBa Ni As\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.250000 0.750000 0.500000 Ni\n0.750000 0.250000 0.500000 Ni\n0.347240 0.347239 0.694479 As\n0.652760 0.652761 0.305521 As\n",
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