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{
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"results": [
{
"id": "mp-1223293",
"created_at": "2022-09-04T14:47:32.346384Z",
"structure_string": "La4 Mn6 Sb6 O28\n1.0\n-5.245100 -0.016018 -5.273653\n5.154095 -10.415239 -5.214328\n-0.018591 -5.247669 5.276220\nLa Mn Sb O\n4 6 6 28\ndirect\n0.250004 0.249996 0.000006 La\n0.750003 0.749992 0.999995 La\n0.500028 0.999992 0.000032 La\n0.000002 0.499998 0.999997 La\n0.499984 0.499999 0.499979 Mn\n0.000006 0.499994 0.500011 Mn\n0.999987 0.999999 0.999992 Mn\n0.000031 0.000018 0.500004 Mn\n0.499983 0.999998 0.499986 Mn\n0.500000 0.499995 0.000001 Mn\n0.749997 0.250000 0.500000 Sb\n0.250000 0.749999 0.500003 Sb\n0.749995 0.250003 0.999995 Sb\n0.249997 0.750006 0.999994 Sb\n0.250004 0.250000 0.500005 Sb\n0.749997 0.750004 0.499995 Sb\n0.302768 0.055238 0.141848 O\n0.802735 0.555235 0.141814 O\n0.197262 0.444763 0.858190 O\n0.697228 0.944761 0.858152 O\n0.659422 0.411732 0.429224 O\n0.159426 0.911735 0.429226 O\n0.840577 0.088271 0.570770 O\n0.340575 0.588265 0.570770 O\n0.457880 0.215120 0.826802 O\n0.957884 0.715120 0.826802 O\n0.042118 0.284877 0.173204 O\n0.542116 0.784880 0.173196 O\n0.671492 0.410124 0.838300 O\n0.171491 0.910126 0.838297 O\n0.251814 0.410205 0.418464 O\n0.751825 0.910208 0.418469 O\n0.828508 0.089877 0.161704 O\n0.328502 0.589877 0.161698 O\n0.248185 0.089798 0.581536 O\n0.748182 0.589793 0.581536 O\n0.462738 0.212153 0.422652 O\n0.962742 0.712152 0.422654 O\n0.865164 0.212213 0.824963 O\n0.365163 0.712215 0.824962 O\n0.037259 0.287850 0.577347 O\n0.537256 0.787849 0.577346 O\n0.634834 0.287784 0.175040 O\n0.134835 0.787789 0.175038 O\n",
"nsites": 44,
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"elements": [
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"Mn",
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"O"
],
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"density": 5.951238886801929,
"density_atomic": 0.07640904185218232,
"volume": 575.8480794082005,
"volume_molar": 7.881450433117821,
"formula_full": "La4 Mn6 Sb6 O28",
"formula_reduced": "La2Mn3Sb3O14",
"formula_anonymous": "A2B3C3D14",
"energy": -345.52928889,
"energy_per_atom": -7.852938383863636,
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"band_gap": 1.5179,
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"is_magnetic": true,
"total_magnetization": 0.0197222,
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"updated_at": "2021-11-28T01:38:12.873000Z",
"spacegroup": 12
},
{
"id": "mp-1222433",
"created_at": "2022-09-04T14:47:32.662119Z",
"structure_string": "Lu2 Mn3 Sb3 O14\n1.0\n3.653547 6.236940 0.000000\n-3.653547 6.236940 0.000000\n0.000000 4.091972 5.926927\nLu Mn Sb O\n2 3 3 14\ndirect\n0.000000 0.000000 0.000000 Lu\n0.000000 0.000000 0.500000 Lu\n0.500000 0.000000 0.000000 Mn\n0.000000 0.500000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.500000 0.500000 0.000000 Sb\n0.000000 0.500000 0.500000 Sb\n0.500000 0.000000 0.500000 Sb\n0.876480 0.876480 0.875336 O\n0.123520 0.123520 0.124664 O\n0.576758 0.576758 0.176701 O\n0.167081 0.167081 0.592916 O\n0.156407 0.595056 0.577244 O\n0.588653 0.169084 0.166533 O\n0.169084 0.588653 0.166533 O\n0.595056 0.156407 0.577244 O\n0.423242 0.423242 0.823299 O\n0.832919 0.832919 0.407084 O\n0.843593 0.404944 0.422756 O\n0.411347 0.830916 0.833467 O\n0.830916 0.411347 0.833467 O\n0.404944 0.843593 0.422756 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Lu",
"Mn",
"Sb",
"O"
],
"chemical_system": "Lu-Mn-O-Sb",
"density": 6.787035106703561,
"density_atomic": 0.08144732819786166,
"volume": 270.1132190187375,
"volume_molar": 7.393908300307029,
"formula_full": "Lu2 Mn3 Sb3 O14",
"formula_reduced": "Lu2Mn3Sb3O14",
"formula_anonymous": "A2B3C3D14",
"energy": -172.28187958,
"energy_per_atom": -7.830994526363637,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -157.65987958,
"band_gap": 1.0309,
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"is_magnetic": true,
"total_magnetization": 14.0000291,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:09.835000Z",
"spacegroup": 12
},
{
"id": "mp-1216807",
"created_at": "2022-09-04T14:39:25.325588Z",
"structure_string": "Tm2 Mn3 Sb3 O14\n1.0\n3.661728 6.143563 0.000000\n-3.661728 6.143563 0.000000\n0.000000 4.032929 6.034175\nTm Mn Sb O\n2 3 3 14\ndirect\n0.500000 0.000000 0.000000 Tm\n0.000000 0.500000 0.000000 Tm\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.500000 0.500000 0.000000 Sb\n0.000000 0.500000 0.500000 Sb\n0.500000 0.000000 0.500000 Sb\n0.879041 0.879041 0.874850 O\n0.120959 0.120959 0.125150 O\n0.594435 0.594435 0.144421 O\n0.169933 0.169933 0.571272 O\n0.171864 0.570891 0.591907 O\n0.579719 0.169896 0.174451 O\n0.169896 0.579719 0.174451 O\n0.570891 0.171864 0.591907 O\n0.405565 0.405565 0.855579 O\n0.830067 0.830067 0.428728 O\n0.828136 0.429109 0.408093 O\n0.420281 0.830104 0.825549 O\n0.830104 0.420281 0.825549 O\n0.429109 0.828136 0.408093 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Tm",
"Mn",
"Sb",
"O"
],
"chemical_system": "Mn-O-Sb-Tm",
"density": 6.678811843833077,
"density_atomic": 0.0810342070665395,
"volume": 271.4902853548647,
"volume_molar": 7.431603242634371,
"formula_full": "Tm2 Mn3 Sb3 O14",
"formula_reduced": "Tm2Mn3Sb3O14",
"formula_anonymous": "A2B3C3D14",
"energy": -172.70650428,
"energy_per_atom": -7.850295649090909,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -158.08450428,
"band_gap": 1.2092,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:35.851000Z",
"spacegroup": 12
},
{
"id": "mp-1192218",
"created_at": "2022-09-04T14:39:32.171143Z",
"structure_string": "Pr3 Mn2 Sb3 O14\n1.0\n6.356278 -3.807231 0.000000\n6.356278 3.807231 0.000000\n4.075854 0.000000 6.187462\nPr Mn Sb O\n3 2 3 14\ndirect\n0.500000 0.500000 0.000000 Pr\n0.000000 0.500000 0.500000 Pr\n0.500000 0.000000 0.500000 Pr\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.500000 Sb\n0.500000 0.000000 0.000000 Sb\n0.000000 0.500000 0.000000 Sb\n0.615186 0.615186 0.615186 O\n0.384814 0.384814 0.384814 O\n0.319578 0.920211 0.319578 O\n0.319578 0.319578 0.920211 O\n0.920211 0.319578 0.319578 O\n0.680422 0.079789 0.680422 O\n0.680422 0.680422 0.079789 O\n0.079789 0.680422 0.680422 O\n0.909358 0.353578 0.909358 O\n0.909358 0.909358 0.353578 O\n0.353578 0.909358 0.909358 O\n0.090642 0.646422 0.090642 O\n0.090642 0.090642 0.646422 O\n0.646422 0.090642 0.090642 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Pr",
"Mn",
"Sb",
"O"
],
"chemical_system": "Mn-O-Pr-Sb",
"density": 6.22067093120797,
"density_atomic": 0.07346289333421314,
"volume": 299.47091656073064,
"volume_molar": 8.197527332067887,
"formula_full": "Pr3 Mn2 Sb3 O14",
"formula_reduced": "Pr3Mn2Sb3O14",
"formula_anonymous": "A2B3C3D14",
"energy": -173.37217097,
"energy_per_atom": -7.880553225909091,
"energy_above_hull": null,
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"energy_uncorrected": -160.41817097,
"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": false,
"updated_at": "2021-11-28T01:34:35.503000Z",
"spacegroup": 166
},
{
"id": "mp-1225901",
"created_at": "2022-09-04T14:41:09.691958Z",
"structure_string": "Eu2 Mn3 Sb3 O14\n1.0\n3.638652 6.264913 0.000000\n-3.638652 6.264913 0.000000\n0.000000 4.184390 6.044891\nEu Mn Sb O\n2 3 3 14\ndirect\n0.000000 0.000000 0.000000 Eu\n0.000000 0.000000 0.500000 Eu\n0.500000 0.000000 0.000000 Mn\n0.000000 0.500000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.500000 0.500000 0.000000 Sb\n0.000000 0.500000 0.500000 Sb\n0.500000 0.000000 0.500000 Sb\n0.860315 0.860315 0.889101 O\n0.139685 0.139685 0.110899 O\n0.574758 0.574758 0.173975 O\n0.169823 0.169823 0.579000 O\n0.178278 0.574250 0.572387 O\n0.576699 0.169669 0.174661 O\n0.169669 0.576699 0.174661 O\n0.574250 0.178278 0.572387 O\n0.425242 0.425242 0.826025 O\n0.830177 0.830177 0.421000 O\n0.821722 0.425750 0.427613 O\n0.423301 0.830331 0.825339 O\n0.830332 0.423301 0.825339 O\n0.425750 0.821722 0.427613 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Eu",
"Mn",
"Sb",
"O"
],
"chemical_system": "Eu-Mn-O-Sb",
"density": 6.374797111820348,
"density_atomic": 0.07982678616322379,
"volume": 275.5967145541355,
"volume_molar": 7.544010036538838,
"formula_full": "Eu2 Mn3 Sb3 O14",
"formula_reduced": "Eu2Mn3Sb3O14",
"formula_anonymous": "A2B3C3D14",
"energy": -180.11952805,
"energy_per_atom": -8.187251275000001,
"energy_above_hull": null,
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"energy_uncorrected": -165.49752805,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:08.513000Z",
"spacegroup": 12
},
{
"id": "mp-1219879",
"created_at": "2022-09-04T14:40:10.313943Z",
"structure_string": "Pr2 Mn3 Sb3 O14\n1.0\n3.726161 6.270691 0.000000\n-3.726161 6.270691 0.000000\n0.000000 4.180088 6.098151\nPr Mn Sb O\n2 3 3 14\ndirect\n0.500000 0.000000 0.000000 Pr\n0.000000 0.500000 0.000000 Pr\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.500000 0.500000 0.000000 Sb\n0.000000 0.500000 0.500000 Sb\n0.500000 0.000000 0.500000 Sb\n0.587429 0.587429 0.150892 O\n0.174658 0.174658 0.569954 O\n0.175388 0.572250 0.580696 O\n0.578598 0.173434 0.176949 O\n0.173434 0.578598 0.176949 O\n0.572250 0.175388 0.580696 O\n0.412571 0.412571 0.849108 O\n0.825342 0.825342 0.430046 O\n0.824612 0.427750 0.419304 O\n0.421402 0.826566 0.823051 O\n0.826566 0.421402 0.823051 O\n0.427750 0.824612 0.419304 O\n0.893703 0.893703 0.858705 O\n0.106297 0.106297 0.141295 O\n",
"nsites": 22,
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"elements": [
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],
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"density_atomic": 0.0772000345270733,
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"formula_full": "Pr2 Mn3 Sb3 O14",
"formula_reduced": "Pr2Mn3Sb3O14",
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"energy": -172.35069602,
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"updated_at": "2021-11-28T01:34:48.800000Z",
"spacegroup": 12
},
{
"id": "mp-1224132",
"created_at": "2022-09-04T14:48:17.230940Z",
"structure_string": "Ho2 Mn3 Sb3 O14\n1.0\n3.669266 6.266237 0.000000\n-3.669266 6.266237 0.000000\n0.000000 4.114556 5.954060\nHo Mn Sb O\n2 3 3 14\ndirect\n0.000000 0.000000 0.000000 Ho\n0.000000 0.000000 0.500000 Ho\n0.500000 0.000000 0.000000 Mn\n0.000000 0.500000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.500000 0.500000 0.000000 Sb\n0.000000 0.500000 0.500000 Sb\n0.500000 0.000000 0.500000 Sb\n0.870809 0.870809 0.880833 O\n0.129191 0.129191 0.119167 O\n0.575347 0.575347 0.177964 O\n0.168120 0.168120 0.591945 O\n0.157208 0.592602 0.577274 O\n0.586644 0.170421 0.167842 O\n0.170421 0.586644 0.167842 O\n0.592602 0.157208 0.577274 O\n0.424653 0.424653 0.822036 O\n0.831880 0.831880 0.408055 O\n0.842792 0.407398 0.422726 O\n0.413356 0.829579 0.832158 O\n0.829579 0.413356 0.832158 O\n0.407398 0.842792 0.422726 O\n",
"nsites": 22,
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],
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"density": 6.573969412114316,
"density_atomic": 0.08035140314373007,
"volume": 273.7973344491208,
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"formula_full": "Ho2 Mn3 Sb3 O14",
"formula_reduced": "Ho2Mn3Sb3O14",
"formula_anonymous": "A2B3C3D14",
"energy": -172.38054676000002,
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"updated_at": "2021-11-28T01:38:52.697000Z",
"spacegroup": 12
},
{
"id": "mp-1214281",
"created_at": "2022-09-04T14:48:09.578886Z",
"structure_string": "Ca4 Mn6 Si6 O28\n1.0\n6.049049 0.000000 0.000000\n0.000000 8.670157 0.000000\n0.000000 3.053877 9.978024\nCa Mn Si O\n4 6 6 28\ndirect\n0.250000 0.331697 0.811624 Ca\n0.750000 0.668303 0.188376 Ca\n0.250000 0.238904 0.178721 Ca\n0.750000 0.761096 0.821279 Ca\n0.500000 0.500000 0.500000 Mn\n0.000000 0.500000 0.500000 Mn\n0.500000 0.000000 0.000000 Mn\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.000000 0.500000 Mn\n0.250000 0.665603 0.997019 Si\n0.750000 0.334397 0.002981 Si\n0.250000 0.805885 0.307250 Si\n0.750000 0.194115 0.692750 Si\n0.250000 0.715882 0.689518 Si\n0.750000 0.284118 0.310482 Si\n0.250000 0.616086 0.850755 O\n0.750000 0.383914 0.149245 O\n0.250000 0.407348 0.440685 O\n0.750000 0.592652 0.559315 O\n0.250000 0.098965 0.557982 O\n0.750000 0.901035 0.442018 O\n0.250000 0.915651 0.417749 O\n0.750000 0.084349 0.582251 O\n0.481307 0.770378 0.996784 O\n0.518693 0.229622 0.003216 O\n0.981307 0.229622 0.003216 O\n0.018693 0.770378 0.996784 O\n0.250000 0.055995 0.888939 O\n0.750000 0.944005 0.111061 O\n0.250000 0.944938 0.156925 O\n0.750000 0.055062 0.843075 O\n0.474937 0.823361 0.659420 O\n0.525063 0.176639 0.340580 O\n0.974937 0.176639 0.340580 O\n0.025063 0.823361 0.659420 O\n0.470725 0.694492 0.336680 O\n0.529275 0.305508 0.663320 O\n0.970725 0.305508 0.663320 O\n0.029275 0.694492 0.336680 O\n0.250000 0.574989 0.611704 O\n0.750000 0.425011 0.388296 O\n0.250000 0.502240 0.116701 O\n0.750000 0.497760 0.883299 O\n",
"nsites": 44,
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"elements": [
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],
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"density": 3.5108879677807305,
"density_atomic": 0.08408026425976267,
"volume": 523.3094875161635,
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"formula_full": "Ca4 Mn6 Si6 O28",
"formula_reduced": "Ca2Mn3Si3O14",
"formula_anonymous": "A2B3C3D14",
"energy": -350.87924358,
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"updated_at": "2021-11-28T01:38:32.362000Z",
"spacegroup": 11
},
{
"id": "mp-1225740",
"created_at": "2022-09-04T14:39:09.049037Z",
"structure_string": "Er2 Mn3 Sb3 O14\n1.0\n3.660599 6.152876 0.000000\n-3.660599 6.152876 0.000000\n0.000000 4.053024 6.014920\nEr Mn Sb O\n2 3 3 14\ndirect\n0.500000 0.000000 0.500000 Er\n0.000000 0.500000 0.500000 Er\n0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.000000 Mn\n0.000000 0.500000 0.000000 Sb\n0.500000 0.000000 0.000000 Sb\n0.500000 0.500000 0.500000 Sb\n0.879410 0.879410 0.373915 O\n0.120590 0.120590 0.626085 O\n0.170405 0.170405 0.073505 O\n0.592066 0.592066 0.648064 O\n0.172282 0.572398 0.088991 O\n0.579209 0.169419 0.673201 O\n0.572398 0.172282 0.088991 O\n0.169419 0.579209 0.673201 O\n0.829595 0.829595 0.926495 O\n0.407934 0.407934 0.351936 O\n0.827718 0.427602 0.911009 O\n0.420791 0.830581 0.326799 O\n0.427602 0.827718 0.911009 O\n0.830581 0.420791 0.326799 O\n",
"nsites": 22,
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"elements": [
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],
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