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{
"id": "jvasp-65547",
"created_at": "2022-09-04T14:36:04.062533Z",
"updated_at": "2022-09-04T14:36:04.062550Z",
"structure_string": "Ba2 Mn1 In1\n1.0\n-0.000000 4.170835 4.170835\n4.170835 0.000000 4.170835\n4.170835 4.170835 0.000000\nBa Mn In\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.749999 0.749999 0.749999 Ba\n0.499999 0.499999 0.499999 Mn\n0.000000 0.000000 0.000000 In\n",
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{
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"structure_string": "Ba2 Mn1 Mo1 O6\n1.0\n5.004593 -0.000000 2.889403\n1.668198 4.718375 2.889403\n-0.000000 -0.000000 5.778805\nBa Mn Mo O\n2 1 1 6\ndirect\n0.750000 0.749999 0.750000 Ba\n0.250000 0.250000 0.250000 Ba\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mo\n0.260545 0.739455 0.739456 O\n0.260545 0.739455 0.260544 O\n0.739456 0.260544 0.739456 O\n0.260544 0.260544 0.739456 O\n0.739456 0.260544 0.260544 O\n0.739456 0.739455 0.260544 O\n",
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{
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"updated_at": "2022-09-04T14:38:14.756228Z",
"structure_string": "Ba2 Mn1 N2\n1.0\n3.945725 0.000000 -1.182044\n-0.355748 3.927705 -1.187506\n-0.010732 -0.001521 7.140715\nBa Mn N\n2 1 2\ndirect\n0.142272 0.142272 0.784545 Ba\n0.857726 0.857727 0.215455 Ba\n0.499999 0.499999 0.500000 Mn\n0.632698 0.632698 0.765398 N\n0.367301 0.367301 0.234602 N\n",
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"elements": [
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],
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"density_atomic": 0.04520523218656678,
"volume": 110.60666560376175,
"volume_molar": 13.321778185202074,
"formula_full": "Ba2 Mn1 N2",
"formula_reduced": "Ba2MnN2",
"formula_anonymous": "AB2C2",
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"spacegroup": 139
},
{
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"created_at": "2022-09-04T14:36:53.927778Z",
"updated_at": "2022-09-04T14:36:53.927802Z",
"structure_string": "Ba2 Mn1 Nb1 O6\n1.0\n4.997575 -0.000000 2.885351\n1.665858 4.711758 2.885351\n-0.000000 -0.000000 5.770702\nBa Mn Nb O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Nb\n0.751059 0.248940 0.248940 O\n0.248940 0.751060 0.751059 O\n0.248940 0.248940 0.751060 O\n0.751059 0.751060 0.248940 O\n0.248940 0.751060 0.248940 O\n0.751059 0.248940 0.751060 O\n",
"nsites": 10,
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"elements": [
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],
"chemical_system": "Ba-Mn-Nb-O",
"density": 6.336108108824058,
"density_atomic": 0.0735917372272753,
"volume": 135.88482045364327,
"volume_molar": 8.183175159191668,
"formula_full": "Ba2 Mn1 Nb1 O6",
"formula_reduced": "Ba2MnNbO6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "jvasp-69251",
"created_at": "2022-09-04T14:35:51.637783Z",
"updated_at": "2022-09-04T14:35:51.637815Z",
"structure_string": "Ba2 Mn1 Pb1\n1.0\n0.000000 4.201343 4.201343\n4.201343 -0.000000 4.201343\n4.201343 4.201343 -0.000000\nBa Mn Pb\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.749999 0.749999 0.749999 Ba\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Pb\n",
"nsites": 4,
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"elements": [
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],
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"density": 6.009810191964793,
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"volume": 148.31818857679934,
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"formula_full": "Ba2 Mn1 Pb1",
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},
{
"id": "jvasp-88004",
"created_at": "2022-09-04T14:35:56.166789Z",
"updated_at": "2022-09-04T14:35:56.166821Z",
"structure_string": "Ba2 Mn1 Re1 O6\n1.0\n5.009369 0.000000 2.892160\n1.669789 4.722877 2.892160\n-0.000000 -0.000000 5.784320\nBa Mn Re O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.749999 0.749999 0.750001 Ba\n0.000000 0.000000 0.000000 Mn\n0.500001 0.500000 0.500000 Re\n0.260338 0.739663 0.739660 O\n0.260338 0.739663 0.260337 O\n0.739663 0.260338 0.739661 O\n0.260339 0.260338 0.739662 O\n0.739663 0.260338 0.260337 O\n0.739662 0.739663 0.260338 O\n",
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],
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"density": 7.423579548488399,
"density_atomic": 0.07307318379839157,
"volume": 136.8491077053647,
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"formula_full": "Ba2 Mn1 Re1 O6",
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"formula_anonymous": "ABC2D6",
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{
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"created_at": "2022-09-04T14:36:11.588730Z",
"updated_at": "2022-09-04T14:36:11.588750Z",
"structure_string": "Ba2 Mn1 Sn1\n1.0\n0.000000 4.172384 4.172384\n4.172384 0.000000 4.172384\n4.172384 4.172384 -0.000000\nBa Mn Sn\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.749999 0.749999 0.749999 Ba\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Sn\n",
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"elements": [
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"formula_full": "Ba2 Mn1 Sn1",
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},
{
"id": "jvasp-11737",
"created_at": "2022-09-04T14:36:41.627297Z",
"updated_at": "2022-09-04T14:36:41.627316Z",
"structure_string": "Ba2 Mn1 Te1 O6\n1.0\n5.068016 0.000548 2.925206\n1.689362 4.778163 2.925206\n0.000776 0.000548 5.851633\nBa Mn Te O\n2 1 1 6\ndirect\n0.750000 0.749999 0.749999 Ba\n0.250002 0.250001 0.250001 Ba\n0.000000 0.000000 0.000000 Mn\n0.500001 0.500000 0.500000 Te\n0.260126 0.739871 0.260126 O\n0.739872 0.260126 0.260126 O\n0.260127 0.260126 0.739871 O\n0.739875 0.260129 0.739874 O\n0.739875 0.739874 0.260129 O\n0.260129 0.739874 0.739874 O\n",
"nsites": 10,
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"elements": [
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],
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"density": 6.4835464168177905,
"density_atomic": 0.07058142575549173,
"volume": 141.68033435088168,
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"formula_full": "Ba2 Mn1 Te1 O6",
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"formula_anonymous": "ABC2D6",
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},
{
"id": "jvasp-65585",
"created_at": "2022-09-04T14:36:03.042081Z",
"updated_at": "2022-09-04T14:36:03.042113Z",
"structure_string": "Ba2 Mn1 Tl1\n1.0\n-0.000000 4.176330 4.176330\n4.176330 0.000000 4.176330\n4.176330 4.176330 -0.000000\nBa Mn Tl\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Tl\n",
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],
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"formula_full": "Ba2 Mn1 Tl1",
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"formula_anonymous": "ABC2",
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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",
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"volume": 176.7969804983506,
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"formula_full": "Ba2 Mn1 Zn2 As2 O2",
"formula_reduced": "Ba2MnZn2(AsO)2",
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{
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"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",
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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",
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"formula_full": "Ba2 Mn2 As2 O1",
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}