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{
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"results": [
{
"id": "mp-1016333",
"created_at": "2022-09-04T14:43:14.650624Z",
"structure_string": "Ba1 Mg7\n1.0\n3.471437 -6.012706 0.000000\n3.471437 6.012706 0.000000\n0.000000 0.000000 5.304635\nBa Mg\n1 7\ndirect\n0.000000 0.000000 0.500000 Ba\n0.011684 0.505842 0.500000 Mg\n0.494158 0.505842 0.500000 Mg\n0.494158 0.988316 0.500000 Mg\n0.180175 0.360350 0.000000 Mg\n0.180175 0.819825 0.000000 Mg\n0.639650 0.819825 0.000000 Mg\n0.666667 0.333333 0.000000 Mg\n",
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"elements": [
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"volume": 221.44442904016108,
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{
"id": "mp-1184337",
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"structure_string": "Ba1 Mg149\n1.0\n13.905429 -8.028307 0.000000\n0.000000 16.056614 0.000000\n0.000000 0.000000 15.684440\nBa Mg\n1 149\ndirect\n-0.000000 -0.000000 0.000000 Ba\n0.600399 0.200798 0.000000 Mg\n0.798837 0.201162 0.000000 Mg\n0.402325 0.201162 0.000000 Mg\n0.209160 0.212797 0.000000 Mg\n0.003638 0.212798 0.000000 Mg\n0.799202 0.399601 0.000000 Mg\n0.600399 0.399601 0.000000 Mg\n0.000502 0.402773 0.000000 Mg\n0.402270 0.402773 0.000000 Mg\n0.202438 0.404876 0.000000 Mg\n0.597226 0.597729 0.000000 Mg\n0.000502 0.597729 0.000000 Mg\n0.798837 0.597675 0.000000 Mg\n0.399367 0.600634 0.000000 Mg\n0.201269 0.600634 0.000000 Mg\n0.787202 0.790840 0.000000 Mg\n0.003638 0.790840 0.000000 Mg\n0.202438 0.797562 0.000000 Mg\n0.595124 0.797562 0.000000 Mg\n0.399367 0.798732 0.000000 Mg\n0.787202 0.996362 0.000000 Mg\n0.209160 0.996362 0.000000 Mg\n0.597226 0.999497 0.000000 Mg\n0.402270 0.999498 0.000000 Mg\n0.868884 0.131115 0.164358 Mg\n0.262231 0.131116 0.164358 Mg\n0.868884 0.737769 0.164358 Mg\n0.666666 0.333333 0.166036 Mg\n0.667533 0.132891 0.166461 Mg\n0.465357 0.132891 0.166461 Mg\n0.465357 0.332467 0.166461 Mg\n0.867109 0.332467 0.166461 Mg\n0.667533 0.534643 0.166461 Mg\n0.867109 0.534643 0.166461 Mg\n0.267216 0.534431 0.167431 Mg\n0.267216 0.732784 0.167431 Mg\n0.465569 0.732784 0.167431 Mg\n0.066878 0.533439 0.167796 Mg\n0.466562 0.533439 0.167796 Mg\n0.466562 0.933122 0.167796 Mg\n0.268716 0.336923 0.168288 Mg\n0.068207 0.336923 0.168288 Mg\n0.663077 0.731284 0.168288 Mg\n0.068207 0.731284 0.168288 Mg\n0.268716 0.931793 0.168288 Mg\n0.663077 0.931793 0.168288 Mg\n0.070596 0.141191 0.175920 Mg\n0.858808 0.929404 0.175920 Mg\n0.070596 0.929404 0.175920 Mg\n0.800098 0.199902 0.332566 Mg\n0.399805 0.199902 0.332566 Mg\n0.800098 0.600195 0.332566 Mg\n0.600064 0.200129 0.332854 Mg\n0.600064 0.399936 0.332854 Mg\n0.799871 0.399936 0.332854 Mg\n0.400055 0.599945 0.333788 Mg\n0.199891 0.599946 0.333788 Mg\n0.400055 0.800110 0.333788 Mg\n0.599442 0.000208 0.333953 Mg\n0.400766 0.000208 0.333953 Mg\n0.400766 0.400557 0.333953 Mg\n0.999792 0.400557 0.333953 Mg\n0.599442 0.599234 0.333953 Mg\n0.999792 0.599234 0.333953 Mg\n0.200143 0.400287 0.334047 Mg\n0.200143 0.799856 0.334047 Mg\n0.599713 0.799857 0.334047 Mg\n-0.000000 -0.000000 0.334380 Mg\n0.798716 0.000539 0.335252 Mg\n0.201823 0.000539 0.335252 Mg\n0.201823 0.201283 0.335252 Mg\n0.999461 0.201284 0.335252 Mg\n0.999461 0.798177 0.335252 Mg\n0.798716 0.798177 0.335252 Mg\n0.066754 0.133507 0.500000 Mg\n0.267472 0.133737 0.500000 Mg\n0.866264 0.133737 0.500000 Mg\n0.667215 0.134269 0.500000 Mg\n0.467054 0.134269 0.500000 Mg\n0.865731 0.332785 0.500000 Mg\n0.467054 0.332785 0.500000 Mg\n0.666666 0.333333 0.500000 Mg\n0.067186 0.334049 0.500000 Mg\n0.266863 0.334049 0.500000 Mg\n0.667215 0.532946 0.500000 Mg\n0.865731 0.532946 0.500000 Mg\n0.466762 0.533237 0.500000 Mg\n0.066474 0.533238 0.500000 Mg\n0.266871 0.533743 0.500000 Mg\n0.866264 0.732528 0.500000 Mg\n0.665951 0.733137 0.500000 Mg\n0.067186 0.733137 0.500000 Mg\n0.466257 0.733129 0.500000 Mg\n0.266871 0.733129 0.500000 Mg\n0.266863 0.932813 0.500000 Mg\n0.665951 0.932813 0.500000 Mg\n0.866493 0.933247 0.500000 Mg\n0.066754 0.933247 0.500000 Mg\n0.466762 0.933526 0.500000 Mg\n0.798716 0.000539 0.664748 Mg\n0.201823 0.000539 0.664748 Mg\n0.201823 0.201283 0.664748 Mg\n0.999461 0.201284 0.664748 Mg\n0.999461 0.798177 0.664748 Mg\n0.798716 0.798177 0.664748 Mg\n-0.000000 -0.000000 0.665620 Mg\n0.200143 0.400287 0.665952 Mg\n0.200143 0.799856 0.665952 Mg\n0.599713 0.799857 0.665952 Mg\n0.599442 0.000208 0.666047 Mg\n0.400766 0.000208 0.666047 Mg\n0.400766 0.400557 0.666047 Mg\n0.999792 0.400557 0.666047 Mg\n0.599442 0.599234 0.666047 Mg\n0.999792 0.599234 0.666047 Mg\n0.400055 0.599945 0.666212 Mg\n0.199891 0.599946 0.666212 Mg\n0.400055 0.800110 0.666212 Mg\n0.600064 0.200129 0.667146 Mg\n0.600064 0.399936 0.667146 Mg\n0.799871 0.399936 0.667146 Mg\n0.800098 0.199902 0.667435 Mg\n0.399805 0.199902 0.667435 Mg\n0.800098 0.600195 0.667435 Mg\n0.070596 0.141191 0.824080 Mg\n0.858808 0.929404 0.824080 Mg\n0.070596 0.929404 0.824080 Mg\n0.268716 0.336923 0.831713 Mg\n0.068207 0.336923 0.831713 Mg\n0.663077 0.731284 0.831713 Mg\n0.068207 0.731284 0.831713 Mg\n0.268716 0.931793 0.831713 Mg\n0.663077 0.931793 0.831713 Mg\n0.066878 0.533439 0.832204 Mg\n0.466562 0.533439 0.832204 Mg\n0.466562 0.933122 0.832204 Mg\n0.267216 0.534431 0.832569 Mg\n0.267216 0.732784 0.832569 Mg\n0.465569 0.732784 0.832569 Mg\n0.667533 0.132891 0.833540 Mg\n0.465357 0.132891 0.833540 Mg\n0.465357 0.332467 0.833540 Mg\n0.867109 0.332467 0.833540 Mg\n0.667533 0.534643 0.833540 Mg\n0.867109 0.534643 0.833540 Mg\n0.666666 0.333333 0.833965 Mg\n0.868884 0.131115 0.835642 Mg\n0.262231 0.131116 0.835642 Mg\n0.868884 0.737769 0.835642 Mg\n",
"nsites": 150,
"nelements": 2,
"elements": [
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"Mg"
],
"chemical_system": "Ba-Mg",
"density": 1.78232830559186,
"density_atomic": 0.04283353156502597,
"volume": 3501.929318442577,
"volume_molar": 14.059407524821378,
"formula_full": "Ba1 Mg149",
"formula_reduced": "BaMg149",
"formula_anonymous": "AB149",
"energy": -243.17066368,
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"updated_at": "2021-11-28T01:36:04.515000Z",
"spacegroup": 187
},
{
"id": "mp-1935",
"created_at": "2022-09-04T14:39:09.234596Z",
"structure_string": "Ba4 Mg8\n1.0\n3.333021 -5.772962 0.000000\n3.333021 5.772962 0.000000\n0.000000 0.000000 10.588289\nBa Mg\n4 8\ndirect\n0.333333 0.666667 0.443115 Ba\n0.666667 0.333333 0.943115 Ba\n0.666667 0.333333 0.556885 Ba\n0.333333 0.666667 0.056885 Ba\n0.161353 0.322706 0.750000 Mg\n0.838647 0.161353 0.250000 Mg\n0.322706 0.161353 0.250000 Mg\n0.677294 0.838647 0.750000 Mg\n0.000000 0.000000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.838647 0.677294 0.250000 Mg\n0.161353 0.838647 0.750000 Mg\n",
"nsites": 12,
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"elements": [
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],
"chemical_system": "Ba-Mg",
"density": 3.0309751611862388,
"density_atomic": 0.02945023163819205,
"volume": 407.4670837032737,
"volume_molar": 20.448534442731802,
"formula_full": "Ba4 Mg8",
"formula_reduced": "BaMg2",
"formula_anonymous": "AB2",
"energy": -21.34200117,
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"updated_at": "2021-11-28T01:34:31.404000Z",
"spacegroup": 194
},
{
"id": "mp-1183328",
"created_at": "2022-09-04T14:41:13.474833Z",
"structure_string": "Ba1 Mg3\n1.0\n-2.763096 2.763096 3.931121\n2.763096 -2.763096 3.931121\n2.763096 2.763096 -3.931121\nBa Mg\n1 3\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.000000 Mg\n0.750001 0.250000 0.500000 Mg\n0.250000 0.750001 0.500000 Mg\n",
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"formula_full": "Ba1 Mg3",
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"spacegroup": 225
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{
"id": "mp-1194459",
"created_at": "2022-09-04T14:40:15.407387Z",
"structure_string": "Ba1 Mn28\n1.0\n-4.419133 4.419133 4.419133\n4.419133 -4.419133 4.419133\n4.419133 4.419133 -4.419133\nBa Mn\n1 28\ndirect\n0.000000 0.000000 0.000000 Ba\n0.617201 0.000000 0.000000 Mn\n0.000000 0.617201 0.000000 Mn\n0.000000 0.000000 0.617201 Mn\n0.382799 0.382799 0.382799 Mn\n0.391613 0.678478 0.000000 Mn\n0.713135 0.321522 0.321522 Mn\n0.391613 0.000000 0.678478 Mn\n0.678478 0.391613 0.000000 Mn\n0.000000 0.391613 0.678478 Mn\n0.321522 0.713135 0.321522 Mn\n0.321522 0.321522 0.713135 Mn\n0.000000 0.678478 0.391613 Mn\n0.678478 0.000000 0.391613 Mn\n0.608387 0.608387 0.286865 Mn\n0.286865 0.608387 0.608387 Mn\n0.608387 0.286865 0.608387 Mn\n0.387212 0.202241 0.000000 Mn\n0.184971 0.797759 0.797759 Mn\n0.387212 0.000000 0.202241 Mn\n0.202241 0.387212 0.000000 Mn\n0.000000 0.387212 0.202241 Mn\n0.797759 0.184971 0.797759 Mn\n0.797759 0.797759 0.184971 Mn\n0.000000 0.202241 0.387212 Mn\n0.202241 0.000000 0.387212 Mn\n0.612788 0.612788 0.815029 Mn\n0.815029 0.612788 0.612788 Mn\n0.612788 0.815029 0.612788 Mn\n",
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"formula_full": "Ba1 Mn28",
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"spacegroup": 217
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{
"id": "mp-1183323",
"created_at": "2022-09-04T14:43:54.833524Z",
"structure_string": "Ba3 Mn1\n1.0\n0.000000 4.455067 4.455067\n4.455067 0.000000 4.455067\n4.455067 4.455067 0.000000\nBa Mn\n3 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Mn\n",
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"formula_full": "Ba3 Mn1",
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"spacegroup": 225
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{
"id": "mp-1183316",
"created_at": "2022-09-04T14:39:31.243696Z",
"structure_string": "Ba3 Mo1\n1.0\n0.000000 4.397571 4.397571\n4.397571 0.000000 4.397571\n4.397571 4.397571 0.000000\nBa Mo\n3 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Mo\n",
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"formula_full": "Ba3 Mo1",
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{
"id": "mp-1057758",
"created_at": "2022-09-04T14:43:10.767977Z",
"structure_string": "Ba1 N1\n1.0\n0.000000 2.862494 2.862494\n2.862494 0.000000 2.862494\n2.862494 2.862494 0.000000\nBa N\n1 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 N\n",
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"spacegroup": 225
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{
"id": "mp-1892",
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"structure_string": "Ba2 N1\n1.0\n7.698629 -2.032163 0.000000\n7.698629 2.032163 0.000000\n7.162210 0.000000 3.478695\nBa N\n2 1\ndirect\n0.732669 0.732669 0.732669 Ba\n0.267331 0.267331 0.267331 Ba\n0.000000 0.000000 0.000000 N\n",
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{
"id": "mp-1214623",
"created_at": "2022-09-04T14:45:39.836272Z",
"structure_string": "Ba24 N16\n1.0\n-6.591127 6.591127 6.591127\n6.591127 -6.591127 6.591127\n6.591127 6.591127 -6.591127\nBa N\n24 16\ndirect\n0.046338 0.272941 0.002745 Ba\n0.953662 0.727059 0.997255 Ba\n0.453662 0.456407 0.226603 Ba\n0.729804 0.227059 0.273397 Ba\n0.272941 0.002745 0.046338 Ba\n0.546338 0.543593 0.773397 Ba\n0.270196 0.772941 0.726603 Ba\n0.727059 0.997255 0.953662 Ba\n0.770196 0.043593 0.497255 Ba\n0.456407 0.226603 0.453662 Ba\n0.229804 0.956407 0.502745 Ba\n0.543593 0.773397 0.546338 Ba\n0.227059 0.273397 0.729804 Ba\n0.772941 0.726603 0.270196 Ba\n0.043593 0.497255 0.770196 Ba\n0.956407 0.502745 0.229804 Ba\n0.002745 0.046338 0.272941 Ba\n0.997255 0.953662 0.727059 Ba\n0.273397 0.729804 0.227059 Ba\n0.726603 0.270196 0.772941 Ba\n0.497255 0.770196 0.043593 Ba\n0.502745 0.229804 0.956407 Ba\n0.226603 0.453662 0.456407 Ba\n0.773397 0.546338 0.543593 Ba\n0.193000 0.943000 0.250000 N\n0.807000 0.057000 0.750000 N\n0.307000 0.557000 0.750000 N\n0.943000 0.250000 0.193000 N\n0.693000 0.443000 0.250000 N\n0.057000 0.750000 0.807000 N\n0.557000 0.750000 0.307000 N\n0.443000 0.250000 0.693000 N\n0.250000 0.193000 0.943000 N\n0.750000 0.807000 0.057000 N\n0.750000 0.307000 0.557000 N\n0.250000 0.693000 0.443000 N\n0.500000 0.500000 0.500000 N\n0.000000 0.500000 0.000000 N\n0.000000 0.000000 0.500000 N\n0.500000 0.000000 0.000000 N\n",
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"elements": [
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],
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"density_atomic": 0.03492375721874982,
"volume": 1145.3521380719271,
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"formula_full": "Ba24 N16",
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"updated_at": "2021-11-28T01:37:05.861000Z",
"spacegroup": 206
},
{
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"elements": [
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],
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"updated_at": "2021-11-28T01:39:14.782000Z",
"spacegroup": 15
},
{
"id": "mp-1707",
"created_at": "2022-09-04T14:44:57.189751Z",
"structure_string": "Ba2 N12\n1.0\n4.442183 0.000000 0.000000\n0.000000 5.527773 0.000000\n0.000000 1.544728 9.684097\nBa N\n2 12\ndirect\n0.750000 0.170645 0.781228 Ba\n0.250000 0.829355 0.218772 Ba\n0.750000 0.708090 0.661893 N\n0.250000 0.291910 0.338107 N\n0.250000 0.859138 0.903747 N\n0.750000 0.140862 0.096253 N\n0.250000 0.648952 0.889997 N\n0.750000 0.351048 0.110003 N\n0.250000 0.440156 0.878458 N\n0.750000 0.559844 0.121542 N\n0.250000 0.221153 0.583149 N\n0.750000 0.778847 0.416851 N\n0.250000 0.256451 0.460544 N\n0.750000 0.743549 0.539456 N\n",
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"volume": 237.79667451386402,
"volume_molar": 10.228893187017098,
"formula_full": "Ba2 N12",
"formula_reduced": "BaN6",
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"updated_at": "2021-11-28T01:36:49.301000Z",
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}
]
}