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"results": [
{
"id": "jvasp-65777",
"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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{
"id": "jvasp-88004",
"created_at": "2022-09-04T14:35:56.166789Z",
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"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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{
"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",
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"density_atomic": 0.02696904566043021,
"volume": 148.31818857679934,
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"formula_full": "Ba2 Mn1 Pb1",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-88039",
"created_at": "2022-09-04T14:36:09.588193Z",
"updated_at": "2022-09-04T14:36:09.588213Z",
"structure_string": "Ba8 Mn4 O12\n1.0\n5.853826 0.000000 0.366467\n2.926913 5.814014 0.183233\n-0.037024 0.000000 12.799326\nBa Mn O\n8 4 12\ndirect\n0.212634 0.590330 0.250971 Ba\n0.674277 0.590342 0.053412 Ba\n0.264621 0.409657 0.553412 Ba\n0.583060 0.790200 0.476953 Ba\n0.103983 0.790213 0.827431 Ba\n0.894196 0.209786 0.327431 Ba\n0.373261 0.209799 0.976953 Ba\n0.802965 0.409669 0.750971 Ba\n0.513192 0.006561 0.738160 Mn\n0.957513 0.006549 0.566223 Mn\n0.519751 0.993438 0.238160 Mn\n0.964061 0.993450 0.066223 Mn\n0.722305 0.655996 0.269226 O\n0.098941 0.656008 0.035158 O\n0.754949 0.343992 0.535158 O\n0.369430 0.197477 0.365952 O\n0.636183 0.204878 0.152191 O\n0.107830 0.802506 0.438431 O\n0.910337 0.197494 0.938432 O\n0.242153 0.992944 0.152193 O\n0.235098 0.007056 0.652193 O\n0.378302 0.344004 0.769226 O\n0.566907 0.802522 0.865952 O\n0.841062 0.795121 0.652191 O\n",
"nsites": 24,
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"elements": [
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"Mn",
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],
"chemical_system": "Ba-Mn-O",
"density": 5.756363791469302,
"density_atomic": 0.05508452639708708,
"volume": 435.6940427696795,
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"formula_full": "Ba8 Mn4 O12",
"formula_reduced": "Ba2MnO3",
"formula_anonymous": "AB2C3",
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"spacegroup": 15
},
{
"id": "jvasp-112787",
"created_at": "2022-09-04T14:38:44.201816Z",
"updated_at": "2022-09-04T14:38:44.201843Z",
"structure_string": "Ba4 Mn2 Ni2 Cl2 F14\n1.0\n5.862556 0.000000 0.000000\n-0.000000 7.358345 2.152924\n-0.000000 0.012015 8.940619\nBa Mn Ni Cl F\n4 2 2 2 14\ndirect\n0.250000 0.700565 0.070756 Ba\n0.750000 0.299436 0.929243 Ba\n0.750000 0.328405 0.410086 Ba\n0.250000 0.671596 0.589914 Ba\n0.250000 0.170187 0.732837 Mn\n0.750000 0.829815 0.267162 Mn\n0.750000 0.810133 0.826485 Ni\n0.250000 0.189868 0.173515 Ni\n0.250000 0.121695 0.459422 Cl\n0.750000 0.878306 0.540577 Cl\n0.998416 0.362754 0.653191 F\n0.501584 0.362754 0.653191 F\n0.750000 0.746975 0.065807 F\n-0.000917 0.010594 0.170500 F\n0.498416 0.637247 0.346808 F\n0.500917 0.010594 0.170500 F\n0.499083 0.989408 0.829499 F\n0.000917 0.989408 0.829499 F\n0.994278 0.622051 0.842189 F\n0.494277 0.377950 0.157811 F\n0.250000 0.253026 0.934192 F\n0.001584 0.637247 0.346808 F\n0.505723 0.622051 0.842189 F\n0.005723 0.377950 0.157811 F\n",
"nsites": 24,
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"elements": [
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"Mn",
"Ni",
"Cl",
"F"
],
"chemical_system": "Ba-Cl-F-Mn-Ni",
"density": 4.795762221661053,
"density_atomic": 0.06225113843305982,
"volume": 385.53511797712406,
"volume_molar": 9.673944784922698,
"formula_full": "Ba4 Mn2 Ni2 Cl2 F14",
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"spacegroup": 11
},
{
"id": "jvasp-106849",
"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,
"nelements": 4,
"elements": [
"Ba",
"Mn",
"Nb",
"O"
],
"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",
"energy_above_hull": 2.558522958137931,
"spacegroup": 225
},
{
"id": "jvasp-110307",
"created_at": "2022-09-04T14:38:14.756205Z",
"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",
"nsites": 5,
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"elements": [
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"Mn",
"N"
],
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"density": 5.36873441225211,
"density_atomic": 0.04520523218656678,
"volume": 110.60666560376175,
"volume_molar": 13.321778185202074,
"formula_full": "Ba2 Mn1 N2",
"formula_reduced": "Ba2MnN2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.871995136275862,
"spacegroup": 139
},
{
"id": "jvasp-12649",
"created_at": "2022-09-04T14:37:20.011881Z",
"updated_at": "2022-09-04T14:37:20.011912Z",
"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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"O"
],
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"density": 6.346405824451107,
"density_atomic": 0.07328257849509258,
"volume": 136.4580805609843,
"volume_molar": 8.217697689776672,
"formula_full": "Ba2 Mn1 Mo1 O6",
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"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"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",
"nsites": 4,
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"elements": [
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"In"
],
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"density": 5.085503301630277,
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"volume": 145.11056183473391,
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"formula_full": "Ba2 Mn1 In1",
"formula_reduced": "Ba2MnIn",
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"spacegroup": 225
},
{
"id": "jvasp-65611",
"created_at": "2022-09-04T14:36:14.991568Z",
"updated_at": "2022-09-04T14:36:14.991600Z",
"structure_string": "Ba2 Mn1 Br1\n1.0\n0.000000 4.125016 4.125016\n4.125016 -0.000000 4.125016\n4.125016 4.125016 -0.000000\nBa Mn Br\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750001 0.750001 0.750001 Ba\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Br\n",
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],
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"volume": 140.38053975633596,
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"formula_full": "Ba2 Mn1 Br1",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-55342",
"created_at": "2022-09-04T14:36:53.601602Z",
"updated_at": "2022-09-04T14:36:53.601625Z",
"structure_string": "Ba2 Mn1 B6 O12\n1.0\n6.120528 -0.029108 3.317884\n1.962292 5.797510 3.317884\n-0.040788 -0.029108 6.961864\nBa Mn B O\n2 1 6 12\ndirect\n0.212207 0.212207 0.212207 Ba\n0.787793 0.787793 0.787792 Ba\n0.000000 0.000000 0.000000 Mn\n0.757097 0.641003 0.365124 B\n0.634875 0.242902 0.358996 B\n0.641003 0.365125 0.757096 B\n0.358997 0.634875 0.242902 B\n0.242903 0.358997 0.634874 B\n0.365125 0.757097 0.641002 B\n0.426289 0.538837 0.802411 O\n0.461162 0.197588 0.573710 O\n0.197588 0.573710 0.461162 O\n0.678540 0.159099 0.914830 O\n0.159099 0.914831 0.678540 O\n0.321459 0.840900 0.085169 O\n0.085169 0.321459 0.840900 O\n0.840900 0.085169 0.321459 O\n0.802412 0.426289 0.538837 O\n0.573710 0.461162 0.197588 O\n0.538838 0.802411 0.426289 O\n0.914831 0.678540 0.159099 O\n",
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],
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"formula_full": "Ba2 Mn1 B6 O12",
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"formula_anonymous": "AB2C6D12",
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},
{
"id": "jvasp-65551",
"created_at": "2022-09-04T14:36:10.970395Z",
"updated_at": "2022-09-04T14:36:10.970419Z",
"structure_string": "Ba2 Mn1 Bi1\n1.0\n0.000000 4.210452 4.210452\n4.210452 0.000000 4.210452\n4.210452 4.210452 0.000000\nBa Mn Bi\n2 1 1\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 Bi\n",
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"formula_full": "Ba2 Mn1 Bi1",
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"spacegroup": 225
}
]
}