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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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"created_at": "2022-09-04T14:35:52.380024Z",
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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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{
"id": "jvasp-2763",
"created_at": "2022-09-04T14:36:58.556613Z",
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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",
"nsites": 5,
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"volume": 135.76873798898234,
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"formula_full": "Ba1 Mg2 As2",
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"spacegroup": 164
},
{
"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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"elements": [
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],
"chemical_system": "As-Ba-Mn",
"density": 6.4242664103822245,
"density_atomic": 0.04871955435779462,
"volume": 102.62819654055502,
"volume_molar": 12.360828910243349,
"formula_full": "Ba1 Mn2 As2",
"formula_reduced": "Ba(MnAs)2",
"formula_anonymous": "AB2C2",
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"spacegroup": 139
},
{
"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,
"nelements": 4,
"elements": [
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"O"
],
"chemical_system": "As-Ba-Mn-O",
"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-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",
"nsites": 7,
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"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
},
{
"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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"elements": [
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"chemical_system": "As-Ba-Mn-O",
"density": 6.387242364307279,
"density_atomic": 0.05571836573927391,
"volume": 161.52663274644857,
"volume_molar": 10.808179098754875,
"formula_full": "Ba2 Mn3 As2 O2",
"formula_reduced": "Ba2Mn3(AsO)2",
"formula_anonymous": "A2B2C2D3",
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"spacegroup": 139
},
{
"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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"Mn",
"Zn",
"As",
"O"
],
"chemical_system": "As-Ba-Mn-O-Zn",
"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
},
{
"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",
"nsites": 5,
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"elements": [
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"N"
],
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"density": 5.146737285946936,
"density_atomic": 0.030938112350303554,
"volume": 161.61296278798153,
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"formula_full": "Ba3 As1 N1",
"formula_reduced": "Ba3AsN",
"formula_anonymous": "ABC3",
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"spacegroup": 221
},
{
"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",
"nsites": 5,
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},
{
"id": "jvasp-91398",
"created_at": "2022-09-04T14:35:48.074464Z",
"updated_at": "2022-09-04T14:35:48.074488Z",
"structure_string": "Ba2 Ni18 As10\n1.0\n6.792735 -0.000000 0.000000\n-3.396368 5.882682 -0.000000\n0.000000 -0.000000 11.343678\nBa Ni As\n2 18 10\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Ba\n0.791301 0.208699 0.750000 Ni\n0.582600 0.791300 0.250000 Ni\n0.208699 0.417399 0.250000 Ni\n0.791301 0.582600 0.750000 Ni\n0.417400 0.208699 0.750000 Ni\n0.535343 0.070685 0.393605 Ni\n0.929315 0.464658 0.393605 Ni\n0.535342 0.464658 0.393605 Ni\n0.208699 0.791300 0.250000 Ni\n0.464658 0.535342 0.606395 Ni\n0.464658 0.929314 0.893605 Ni\n0.070685 0.535342 0.893605 Ni\n0.929315 0.464658 0.106395 Ni\n0.535343 0.070685 0.106395 Ni\n0.464658 0.929314 0.606395 Ni\n0.070685 0.535342 0.606395 Ni\n0.535342 0.464658 0.106395 Ni\n0.464658 0.535342 0.893605 Ni\n0.666667 0.333333 0.560407 As\n0.333333 0.666667 0.060407 As\n0.172323 0.827677 0.750000 As\n0.344647 0.172323 0.250000 As\n0.827677 0.172323 0.250000 As\n0.172323 0.344647 0.750000 As\n0.655353 0.827677 0.750000 As\n0.666667 0.333333 0.939593 As\n0.827677 0.655353 0.250000 As\n0.333333 0.666667 0.439593 As\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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