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{
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"results": [
{
"id": "mp-1196368",
"created_at": "2022-09-04T14:45:35.286643Z",
"structure_string": "K2 Na6 Zn4 Si14 O45\n1.0\n20.268054 3.711608 0.000000\n-20.268054 3.711608 0.000000\n0.000000 0.257334 7.308781\nK Na Zn Si O\n2 6 4 14 45\ndirect\n0.354711 0.585544 0.426438 K\n0.585544 0.354711 0.426438 K\n0.117231 0.117231 0.217250 Na\n0.149972 0.149972 0.800739 Na\n0.250519 0.752350 0.827544 Na\n0.752350 0.250519 0.827544 Na\n0.107469 0.844789 0.570025 Na\n0.844789 0.107469 0.570025 Na\n0.054947 0.927557 0.010739 Zn\n0.927557 0.054947 0.010739 Zn\n0.437256 0.070102 0.669298 Zn\n0.070102 0.437256 0.669298 Zn\n0.718682 0.642312 0.308890 Si\n0.642312 0.718682 0.308890 Si\n0.735158 0.657974 0.723952 Si\n0.657974 0.735158 0.723952 Si\n0.477443 0.348021 0.022557 Si\n0.348021 0.477443 0.022557 Si\n0.327000 0.070014 0.965295 Si\n0.070014 0.327000 0.965295 Si\n0.450608 0.048318 0.087462 Si\n0.048318 0.450608 0.087462 Si\n0.176775 0.744860 0.395930 Si\n0.744860 0.176775 0.395930 Si\n0.745627 0.323510 0.383423 Si\n0.323510 0.745627 0.383423 Si\n0.611396 0.611396 0.316195 O\n0.726590 0.619598 0.517848 O\n0.619598 0.726590 0.517848 O\n0.920544 0.838390 0.216874 O\n0.838390 0.920544 0.216874 O\n0.581893 0.463156 0.211202 O\n0.463156 0.581893 0.211202 O\n0.631181 0.631181 0.733949 O\n0.945968 0.861137 0.787004 O\n0.861137 0.945968 0.787004 O\n0.619304 0.497724 0.850882 O\n0.497724 0.619304 0.850882 O\n0.278352 0.194484 0.007152 O\n0.194484 0.278352 0.007152 O\n0.109553 0.886224 0.000916 O\n0.886224 0.109553 0.000916 O\n0.462549 0.254422 0.037602 O\n0.254422 0.462549 0.037602 O\n0.383329 0.060843 0.095301 O\n0.060843 0.383329 0.095301 O\n0.359466 0.085519 0.748964 O\n0.085519 0.359466 0.748964 O\n0.470339 0.038924 0.879471 O\n0.038924 0.470339 0.879471 O\n0.296400 0.860772 0.201173 O\n0.860772 0.296400 0.201173 O\n0.650786 0.228879 0.182157 O\n0.228879 0.650786 0.182157 O\n0.214258 0.836575 0.539531 O\n0.836575 0.214258 0.539531 O\n0.650937 0.288911 0.512342 O\n0.288911 0.650937 0.512342 O\n0.962263 0.541396 0.339753 O\n0.541396 0.962263 0.339753 O\n0.233891 0.727003 0.488944 O\n0.727003 0.233891 0.488944 O\n0.140414 0.047783 0.540068 O\n0.047783 0.140414 0.540068 O\n0.930392 0.540557 0.866676 O\n0.540557 0.930392 0.866676 O\n0.882346 0.552508 0.845550 O\n0.552508 0.882346 0.845550 O\n0.982695 0.751734 0.282327 O\n0.751734 0.982695 0.282327 O\n0.224466 0.224466 0.499494 O\n",
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"elements": [
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],
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"volume": 1099.6363798415616,
"volume_molar": 9.326993048201,
"formula_full": "K2 Na6 Zn4 Si14 O45",
"formula_reduced": "K2Na6Zn4Si14O45",
"formula_anonymous": "A2B4C6D14E45",
"energy": -461.75601375,
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"updated_at": "2021-11-28T01:37:04.792000Z",
"spacegroup": 8
},
{
"id": "mp-1210715",
"created_at": "2022-09-04T14:45:35.288674Z",
"structure_string": "Mn4 Pb4 S8 O32\n1.0\n6.858977 0.000000 0.000000\n0.000000 6.858977 0.000000\n0.000000 0.000000 13.990216\nMn Pb S O\n4 4 8 32\ndirect\n0.166360 0.166360 0.000000 Mn\n0.833640 0.833640 0.500000 Mn\n0.333640 0.666360 0.250000 Mn\n0.666360 0.333640 0.750000 Mn\n0.749701 0.749701 0.000000 Pb\n0.250299 0.250299 0.500000 Pb\n0.750299 0.249701 0.250000 Pb\n0.249701 0.750299 0.750000 Pb\n0.246623 0.173775 0.242901 S\n0.753377 0.826225 0.742901 S\n0.326225 0.746623 0.492901 S\n0.253377 0.673775 0.007099 S\n0.673775 0.253377 0.992901 S\n0.746623 0.326225 0.507099 S\n0.173775 0.246623 0.757099 S\n0.826225 0.753377 0.257099 S\n0.115477 0.207493 0.326272 O\n0.884523 0.792507 0.826272 O\n0.292507 0.615477 0.576272 O\n0.384523 0.707493 0.923728 O\n0.707493 0.384523 0.076272 O\n0.615477 0.292507 0.423728 O\n0.207493 0.115477 0.673728 O\n0.792507 0.884523 0.173728 O\n0.124007 0.170821 0.155127 O\n0.875993 0.829179 0.655127 O\n0.329179 0.624007 0.405127 O\n0.375993 0.670821 0.094873 O\n0.670821 0.375993 0.905127 O\n0.624007 0.329179 0.594873 O\n0.170821 0.124007 0.844873 O\n0.829179 0.875993 0.344873 O\n0.490885 0.139766 0.004398 O\n0.509115 0.860234 0.504398 O\n0.360234 0.990885 0.254398 O\n0.009115 0.639766 0.245602 O\n0.639766 0.009115 0.754398 O\n0.990885 0.360234 0.745602 O\n0.139766 0.490885 0.995602 O\n0.860234 0.509115 0.495602 O\n0.389166 0.339769 0.237091 O\n0.610834 0.660231 0.737091 O\n0.160231 0.889166 0.487091 O\n0.110834 0.839769 0.012909 O\n0.839769 0.110834 0.987091 O\n0.889166 0.160231 0.512909 O\n0.339769 0.389166 0.762909 O\n0.660231 0.610834 0.262909 O\n",
"nsites": 48,
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"elements": [
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"chemical_system": "Mn-O-Pb-S",
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"density_atomic": 0.07292864163523201,
"volume": 658.1776229986859,
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"formula_full": "Mn4 Pb4 S8 O32",
"formula_reduced": "MnPb(SO4)2",
"formula_anonymous": "ABC2D8",
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"spacegroup": 92
},
{
"id": "mp-1070955",
"created_at": "2022-09-04T14:45:35.395358Z",
"structure_string": "Sm1 Si1 Ni4\n1.0\n2.570494 -4.138090 0.000000\n2.570494 4.138090 0.000000\n0.000000 0.000000 3.948054\nSm Si Ni\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Sm\n0.500000 0.500000 0.500000 Si\n0.343514 0.656486 0.000000 Ni\n0.656486 0.343514 0.000000 Ni\n0.500000 0.000000 0.500000 Ni\n0.000000 0.500000 0.500000 Ni\n",
"nsites": 6,
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"density": 8.169582797786134,
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"volume": 83.99039162700394,
"volume_molar": 8.430032681089054,
"formula_full": "Sm1 Si1 Ni4",
"formula_reduced": "SmSiNi4",
"formula_anonymous": "ABC4",
"energy": -36.71641153,
"energy_per_atom": -6.119401921666667,
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"updated_at": "2021-11-28T01:37:02.528000Z",
"spacegroup": 65
},
{
"id": "mp-20709",
"created_at": "2022-09-04T14:45:35.494280Z",
"structure_string": "Ba2 Sc1 Sb1 O6\n1.0\n0.000000 4.717869 4.717869\n4.717869 0.000000 4.717869\n4.717869 4.717869 0.000000\nBa Sc Sb O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Sb\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.000000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
"nsites": 10,
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],
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"density": 4.248659287573836,
"density_atomic": 0.04761374821705039,
"volume": 210.02337296392514,
"volume_molar": 12.647903148787355,
"formula_full": "Ba2 Sc1 Sb1 O6",
"formula_reduced": "Ba2ScSbO6",
"formula_anonymous": "ABC2D6",
"energy": -51.81411302,
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"updated_at": "2021-11-28T01:37:06.171000Z",
"spacegroup": 225
},
{
"id": "mp-1097907",
"created_at": "2022-09-04T14:45:35.703819Z",
"structure_string": "Mn4 H4 O8\n1.0\n-5.584852 5.584852 1.479156\n5.584852 -5.584852 1.479156\n5.584852 5.584852 -1.479156\nMn H O\n4 4 8\ndirect\n0.644929 0.848621 0.493549 Mn\n0.151379 0.644929 0.796308 Mn\n0.848621 0.355071 0.203692 Mn\n0.355071 0.151379 0.506451 Mn\n0.171215 0.920742 0.091957 H\n0.828785 0.079258 0.908043 H\n0.079258 0.171215 0.250474 H\n0.920742 0.828785 0.749526 H\n0.828173 0.543517 0.371690 O\n0.456483 0.828173 0.284656 O\n0.543517 0.171827 0.715344 O\n0.171827 0.456483 0.628310 O\n0.150512 0.221749 0.372261 O\n0.778251 0.150512 0.928763 O\n0.849488 0.778251 0.627739 O\n0.221749 0.849488 0.071237 O\n",
"nsites": 16,
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"elements": [
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],
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"volume": 184.54288605186585,
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"formula_full": "Mn4 H4 O8",
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"spacegroup": 87
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{
"id": "mp-541687",
"created_at": "2022-09-04T14:45:35.286273Z",
"structure_string": "K12 Ga4 Se12\n1.0\n13.192882 0.000000 0.000000\n0.000000 8.177484 0.000000\n0.000000 6.519210 8.436599\nK Ga Se\n12 4 12\ndirect\n0.909194 0.339214 0.395659 K\n0.409194 0.660786 0.104341 K\n0.090806 0.660786 0.604341 K\n0.590806 0.339214 0.895659 K\n0.189772 0.131444 0.583314 K\n0.689772 0.868556 0.916686 K\n0.810228 0.868556 0.416686 K\n0.310228 0.131444 0.083314 K\n0.622879 0.375171 0.474199 K\n0.122879 0.624829 0.025801 K\n0.377121 0.624829 0.525801 K\n0.877121 0.375171 0.974199 K\n0.938893 0.066562 0.835165 Ga\n0.438893 0.933438 0.664835 Ga\n0.061107 0.933438 0.164835 Ga\n0.561107 0.066562 0.335165 Ga\n0.391351 0.159498 0.375315 Se\n0.891351 0.840502 0.124685 Se\n0.608649 0.840502 0.624685 Se\n0.108649 0.159498 0.875315 Se\n0.679550 0.351203 0.186985 Se\n0.179550 0.648797 0.313015 Se\n0.320450 0.648797 0.813015 Se\n0.820450 0.351203 0.686985 Se\n0.548035 0.871739 0.234869 Se\n0.048035 0.128261 0.265131 Se\n0.451965 0.128261 0.765131 Se\n0.951965 0.871739 0.734869 Se\n",
"nsites": 28,
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"elements": [
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"Ga",
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],
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"density": 3.0934533106832256,
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"volume": 910.1789521358389,
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"formula_full": "K12 Ga4 Se12",
"formula_reduced": "K3GaSe3",
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{
"id": "mp-8966",
"created_at": "2022-09-04T14:45:35.405276Z",
"structure_string": "K4 Sn4 Se10\n1.0\n4.227438 5.911431 0.000000\n-4.227438 5.911431 0.000000\n0.000000 3.721486 11.503681\nK Sn Se\n4 4 10\ndirect\n0.440041 0.095424 0.319184 K\n0.904576 0.559959 0.180816 K\n0.559959 0.904576 0.680816 K\n0.095424 0.440041 0.819184 K\n0.246712 0.945067 0.057525 Sn\n0.945067 0.246712 0.557525 Sn\n0.753288 0.054933 0.942475 Sn\n0.054933 0.753288 0.442475 Sn\n0.684393 0.315607 0.750000 Se\n0.315607 0.684393 0.250000 Se\n0.257240 0.355360 0.535711 Se\n0.121628 0.848121 0.620297 Se\n0.644640 0.742760 0.964289 Se\n0.742760 0.644640 0.464289 Se\n0.355360 0.257240 0.035711 Se\n0.878372 0.151879 0.379703 Se\n0.848121 0.121628 0.120297 Se\n0.151879 0.878372 0.879703 Se\n",
"nsites": 18,
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"density": 4.103510004345609,
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"volume": 574.9587629185124,
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"formula_full": "K4 Sn4 Se10",
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"spacegroup": 15
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{
"id": "mp-1102937",
"created_at": "2022-09-04T14:45:35.740015Z",
"structure_string": "Br4 N4 O4\n1.0\n6.261619 0.000000 0.000000\n0.000000 6.492868 0.000000\n0.000000 4.509926 6.552400\nBr N O\n4 4 4\ndirect\n0.629520 0.819263 0.911985 Br\n0.129520 0.180737 0.588015 Br\n0.370480 0.180737 0.088015 Br\n0.870480 0.819263 0.411985 Br\n0.173196 0.767155 0.646324 N\n0.673196 0.232845 0.853676 N\n0.826804 0.232845 0.353676 N\n0.326804 0.767155 0.146324 N\n0.336162 0.743213 0.594644 O\n0.836162 0.256787 0.905356 O\n0.663838 0.256787 0.405356 O\n0.163838 0.743213 0.094644 O\n",
"nsites": 12,
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],
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"formula_full": "Br4 N4 O4",
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{
"id": "mp-1079743",
"created_at": "2022-09-04T14:45:35.862463Z",
"structure_string": "Sm3 Mg3 Pd3\n1.0\n3.807886 -6.595452 0.000000\n3.807886 6.595452 0.000000\n0.000000 0.000000 4.058714\nSm Mg Pd\n3 3 3\ndirect\n0.414810 0.000000 0.500000 Sm\n0.000000 0.414810 0.500000 Sm\n0.585190 0.585190 0.500000 Sm\n0.758957 0.000000 0.000000 Mg\n0.000000 0.758957 0.000000 Mg\n0.241043 0.241043 0.000000 Mg\n0.333333 0.666667 0.000000 Pd\n0.666667 0.333333 0.000000 Pd\n0.000000 0.000000 0.500000 Pd\n",
"nsites": 9,
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"formula_full": "Sm3 Mg3 Pd3",
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{
"id": "mp-1182481",
"created_at": "2022-09-04T14:45:35.922908Z",
"structure_string": "Cu8 W4 O16\n1.0\n5.768735 0.052899 0.104483\n-1.258579 7.517914 -3.668745\n1.347791 -0.500107 9.559925\nCu W O\n8 4 16\ndirect\n0.020832 0.111282 0.374529 Cu\n0.649146 0.179040 0.845006 Cu\n0.350853 0.820960 0.154994 Cu\n0.492760 0.870637 0.849211 Cu\n0.979168 0.888718 0.625471 Cu\n0.329770 0.452860 0.841792 Cu\n0.507240 0.129363 0.150789 Cu\n0.670230 0.547140 0.158208 Cu\n0.279610 0.506838 0.414451 W\n0.720390 0.493163 0.585549 W\n0.075648 0.203178 0.006278 W\n0.924352 0.796822 0.993722 W\n0.451349 0.647703 0.600934 O\n0.602693 0.368140 0.690149 O\n0.919306 0.407765 0.110768 O\n0.548651 0.352297 0.399066 O\n0.397307 0.631860 0.309851 O\n0.230910 0.272554 0.211319 O\n0.817269 0.056537 0.076832 O\n0.368259 0.285562 0.930950 O\n0.959168 0.119107 0.798943 O\n0.080694 0.592235 0.889232 O\n0.990089 0.637480 0.493355 O\n0.769090 0.727446 0.788681 O\n0.182731 0.943463 0.923168 O\n0.631741 0.714438 0.069050 O\n0.040832 0.880893 0.201057 O\n0.009911 0.362520 0.506645 O\n",
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"elements": [
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"W",
"O"
],
"chemical_system": "Cu-O-W",
"density": 6.173367995565631,
"density_atomic": 0.06940989383552532,
"volume": 403.40070345517603,
"volume_molar": 8.676199353178886,
"formula_full": "Cu8 W4 O16",
"formula_reduced": "Cu2WO4",
"formula_anonymous": "AB2C4",
"energy": -202.80034713,
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"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -174.05634713,
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"updated_at": "2021-11-28T01:37:10.842000Z",
"spacegroup": 2
},
{
"id": "mp-1209245",
"created_at": "2022-09-04T14:45:36.010294Z",
"structure_string": "Rb2 Dy2 Mo4 O16\n1.0\n5.252501 5.402075 0.000000\n-5.252501 5.402075 0.000000\n0.000000 5.095449 5.861318\nRb Dy Mo O\n2 2 4 16\ndirect\n0.199023 0.800977 0.750000 Rb\n0.800977 0.199023 0.250000 Rb\n0.770826 0.229174 0.750000 Dy\n0.229174 0.770826 0.250000 Dy\n0.695503 0.696220 0.762895 Mo\n0.304497 0.303780 0.237105 Mo\n0.303780 0.304497 0.737105 Mo\n0.696220 0.695503 0.262895 Mo\n0.614943 0.765326 0.561288 O\n0.385057 0.234674 0.438712 O\n0.234674 0.385057 0.938712 O\n0.765326 0.614943 0.061288 O\n0.383111 0.067548 0.875544 O\n0.616889 0.932452 0.124456 O\n0.932452 0.616889 0.624456 O\n0.067548 0.383111 0.375544 O\n0.585137 0.367256 0.969833 O\n0.414863 0.632744 0.030167 O\n0.632744 0.414863 0.530167 O\n0.367256 0.585137 0.469833 O\n0.792774 0.952884 0.691970 O\n0.207226 0.047116 0.308030 O\n0.047116 0.207226 0.808030 O\n0.952884 0.792774 0.191970 O\n",
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"elements": [
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"Mo",
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],
"chemical_system": "Dy-Mo-O-Rb",
"density": 5.669638077150203,
"density_atomic": 0.07215380005526911,
"volume": 332.6228137896581,
"volume_molar": 8.346255852619127,
"formula_full": "Rb2 Dy2 Mo4 O16",
"formula_reduced": "RbDy(MoO4)2",
"formula_anonymous": "ABC2D8",
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"energy_per_atom": -8.096878528333333,
"energy_above_hull": null,
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"energy_uncorrected": -170.52508468,
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"updated_at": "2021-11-28T01:37:08.066000Z",
"spacegroup": 15
},
{
"id": "mp-1523148",
"created_at": "2022-09-04T14:45:36.441868Z",
"structure_string": "Ba2 La1 Sb1 O6\n1.0\n-0.000000 -4.367762 -4.367762\n4.367762 0.000000 -4.367762\n4.367762 -4.367762 -0.000000\nBa La Sb O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n-0.000000 0.000000 0.000000 La\n0.500000 0.500000 0.500000 Sb\n0.730835 0.269165 0.269165 O\n0.269165 0.730835 0.730835 O\n0.730835 0.269165 0.730835 O\n0.269165 0.730835 0.269165 O\n0.730835 0.730835 0.269165 O\n0.269165 0.269165 0.730835 O\n",
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"elements": [
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],
"chemical_system": "Ba-La-O-Sb",
"density": 6.2905542465080675,
"density_atomic": 0.06000578307017491,
"volume": 166.650604131027,
"volume_molar": 10.035933958160822,
"formula_full": "Ba2 La1 Sb1 O6",
"formula_reduced": "Ba2LaSbO6",
"formula_anonymous": "ABC2D6",
"energy": -72.82915586,
"energy_per_atom": -7.282915586,
"energy_above_hull": null,
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"energy_uncorrected": -68.70715586,
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"updated_at": "2021-11-28T01:37:09.757000Z",
"spacegroup": 225
}
]
}