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{
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"results": [
{
"id": "mp-13554",
"created_at": "2022-09-04T14:39:38.942689Z",
"structure_string": "Sn2 Hg2 O6\n1.0\n5.021241 -2.836887 0.000000\n5.021241 2.836887 0.000000\n3.418464 0.000000 4.644878\nSn Hg O\n2 2 6\ndirect\n0.000000 0.000000 0.000000 Sn\n0.500000 0.500000 0.500000 Sn\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n0.250000 0.646489 0.853511 O\n0.853511 0.250000 0.646489 O\n0.646489 0.853511 0.250000 O\n0.750000 0.353511 0.146489 O\n0.353511 0.146489 0.750000 O\n0.146489 0.750000 0.353511 O\n",
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"formula_full": "Sn2 Hg2 O6",
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{
"id": "mp-540883",
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"structure_string": "As8 P8 S28\n1.0\n8.631809 0.000000 0.000000\n0.000000 11.906662 0.000000\n0.000000 1.012412 12.471304\nAs P S\n8 8 28\ndirect\n0.114576 0.681622 0.663932 As\n0.614576 0.818378 0.336068 As\n0.885424 0.318378 0.336068 As\n0.385424 0.181622 0.663932 As\n0.920382 0.648938 0.823248 As\n0.420382 0.851062 0.176752 As\n0.079618 0.351062 0.176752 As\n0.579618 0.148938 0.823248 As\n0.143865 0.885324 0.842611 P\n0.643865 0.614676 0.157389 P\n0.856135 0.114676 0.157389 P\n0.356135 0.385324 0.842611 P\n0.832735 0.886328 0.657905 P\n0.332735 0.613672 0.342095 P\n0.167265 0.113672 0.342095 P\n0.667265 0.386328 0.657905 P\n0.977714 0.985154 0.751525 S\n0.477714 0.514846 0.248475 S\n0.022286 0.014846 0.248475 S\n0.522286 0.485154 0.751525 S\n0.282539 0.800665 0.738207 S\n0.782539 0.699335 0.261793 S\n0.717461 0.199335 0.261793 S\n0.217461 0.300665 0.738207 S\n0.971163 0.801443 0.552579 S\n0.471163 0.698557 0.447421 S\n0.028837 0.198557 0.447421 S\n0.528837 0.301443 0.552579 S\n0.030472 0.761362 0.941511 S\n0.530472 0.738638 0.058489 S\n0.969528 0.238638 0.058489 S\n0.469528 0.261362 0.941511 S\n0.722674 0.761169 0.756824 S\n0.222674 0.738831 0.243176 S\n0.277326 0.238831 0.243176 S\n0.777326 0.261169 0.756824 S\n0.260251 0.990801 0.922426 S\n0.760251 0.509199 0.077574 S\n0.739749 0.009199 0.077574 S\n0.239749 0.490801 0.922426 S\n0.687176 0.989802 0.583553 S\n0.187176 0.510198 0.416447 S\n0.312824 0.010198 0.416447 S\n0.812824 0.489802 0.583553 S\n",
"nsites": 44,
"nelements": 3,
"elements": [
"As",
"P",
"S"
],
"chemical_system": "As-P-S",
"density": 2.260666813750743,
"density_atomic": 0.03432803652060472,
"volume": 1281.7511416241323,
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"formula_full": "As8 P8 S28",
"formula_reduced": "As2P2S7",
"formula_anonymous": "A2B2C7",
"energy": -218.77178937,
"energy_per_atom": -4.972086122045455,
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"updated_at": "2021-11-28T01:34:37.560000Z",
"spacegroup": 14
},
{
"id": "mp-1097310",
"created_at": "2022-09-04T14:39:36.715386Z",
"structure_string": "Mn1 Be1 Ir2\n1.0\n-4.454752 5.814522 7.513009\n4.454752 -5.814522 7.513009\n4.454752 5.814522 -7.513009\nMn Be Ir\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Be\n0.000000 0.236168 0.236168 Ir\n0.000000 0.763832 0.763832 Ir\n",
"nsites": 4,
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"elements": [
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"Be",
"Ir"
],
"chemical_system": "Be-Ir-Mn",
"density": 0.9565066072042051,
"density_atomic": 0.0051386441195616465,
"volume": 778.4154549198906,
"volume_molar": 117.19318598217541,
"formula_full": "Mn1 Be1 Ir2",
"formula_reduced": "MnBeIr2",
"formula_anonymous": "ABC2",
"energy": -18.00745499,
"energy_per_atom": -4.5018637475,
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"energy_uncorrected": -18.00745499,
"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:40.596000Z",
"spacegroup": 71
},
{
"id": "mp-1191350",
"created_at": "2022-09-04T14:39:36.747726Z",
"structure_string": "Pr2 Mn3 Cu9 P7\n1.0\n4.706096 -8.151198 0.000000\n4.706096 8.151198 0.000000\n0.000000 0.000000 3.784837\nPr Mn Cu P\n2 3 9 7\ndirect\n0.333333 0.666667 0.000000 Pr\n0.000000 0.000000 0.500000 Pr\n0.750278 0.535183 0.500000 Mn\n0.464817 0.215095 0.500000 Mn\n0.784905 0.249722 0.500000 Mn\n0.716239 0.766331 0.000000 Cu\n0.233669 0.949907 0.000000 Cu\n0.050093 0.283761 0.000000 Cu\n0.944682 0.488584 0.000000 Cu\n0.511416 0.456097 0.000000 Cu\n0.543903 0.055318 0.000000 Cu\n0.090442 0.715729 0.500000 Cu\n0.284271 0.374713 0.500000 Cu\n0.625287 0.909558 0.500000 Cu\n0.941942 0.729725 0.000000 P\n0.270275 0.212217 0.000000 P\n0.787783 0.058058 0.000000 P\n0.064655 0.441405 0.500000 P\n0.558595 0.623250 0.500000 P\n0.376750 0.935345 0.500000 P\n0.666667 0.333333 0.000000 P\n",
"nsites": 21,
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"elements": [
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],
"chemical_system": "Cu-Mn-P-Pr",
"density": 7.064527991154055,
"density_atomic": 0.07232024581077562,
"volume": 290.3751192293518,
"volume_molar": 8.327046862861614,
"formula_full": "Pr2 Mn3 Cu9 P7",
"formula_reduced": "Pr2Mn3Cu9P7",
"formula_anonymous": "A2B3C7D9",
"energy": -120.12693757,
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"energy_uncorrected": -120.12693757,
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"is_theoretical": false,
"updated_at": "2021-11-28T01:34:26.769000Z",
"spacegroup": 174
},
{
"id": "mp-11677",
"created_at": "2022-09-04T14:39:36.748933Z",
"structure_string": "Sr6 Si4 As8\n1.0\n8.501109 4.648303 0.000000\n-8.501109 4.648303 0.000000\n0.000000 4.006527 6.288496\nSr Si As\n6 4 8\ndirect\n0.941067 0.058933 0.250000 Sr\n0.058933 0.941067 0.750000 Sr\n0.564639 0.435362 0.750000 Sr\n0.435362 0.564638 0.250000 Sr\n0.813969 0.186032 0.750000 Sr\n0.186032 0.813968 0.250000 Sr\n0.169562 0.528329 0.844202 Si\n0.471671 0.830438 0.655798 Si\n0.830438 0.471671 0.155798 Si\n0.528329 0.169562 0.344202 Si\n0.949538 0.555759 0.782070 As\n0.444241 0.050462 0.717930 As\n0.678162 0.811402 0.748016 As\n0.188598 0.321838 0.751984 As\n0.321838 0.188598 0.251984 As\n0.811402 0.678162 0.248016 As\n0.555759 0.949538 0.282070 As\n0.050462 0.444241 0.217930 As\n",
"nsites": 18,
"nelements": 3,
"elements": [
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"Si",
"As"
],
"chemical_system": "As-Si-Sr",
"density": 4.134515493088964,
"density_atomic": 0.03621810353830082,
"volume": 496.9890259705319,
"volume_molar": 16.62743261427688,
"formula_full": "Sr6 Si4 As8",
"formula_reduced": "Sr3(SiAs2)2",
"formula_anonymous": "A2B3C4",
"energy": -84.04738961,
"energy_per_atom": -4.669299422777778,
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"updated_at": "2021-11-28T01:34:25.799000Z",
"spacegroup": 15
},
{
"id": "mp-1233400",
"created_at": "2022-09-04T14:39:36.755887Z",
"structure_string": "Mg1 V1 Cr2 Fe3 P6 O24\n1.0\n8.707731 -0.053465 0.118316\n4.370426 -7.481865 0.038186\n4.240707 -2.545118 -7.111422\nMg V Cr Fe P O\n1 1 2 3 6 24\ndirect\n0.241310 0.257624 0.247708 Mg\n0.608496 0.127011 0.132556 V\n0.019434 0.999275 0.987373 Cr\n0.486533 0.505111 0.503716 Cr\n0.049064 0.644176 0.655231 Fe\n0.442095 0.854868 0.853454 Fe\n0.886051 0.365159 0.377265 Fe\n0.264845 0.254101 0.539256 P\n0.256021 0.948203 0.249565 P\n0.255789 0.551215 0.943040 P\n0.746443 0.456490 0.044895 P\n0.745068 0.040211 0.754178 P\n0.733508 0.748034 0.469894 P\n0.081505 0.112868 0.308762 O\n0.084767 0.504935 0.102253 O\n0.089426 0.312228 0.490719 O\n0.255128 0.101384 0.732702 O\n0.431040 0.198907 0.370641 O\n0.279922 0.423927 0.545896 O\n0.237948 0.928972 0.090921 O\n0.280698 0.753503 0.412445 O\n0.573572 0.596114 0.981840 O\n0.277390 0.555751 0.749752 O\n0.793352 0.247918 0.062402 O\n0.579484 0.975270 0.849695 O\n0.422727 0.006432 0.192324 O\n0.237573 0.749014 0.918519 O\n0.696319 0.456908 0.245793 O\n0.427725 0.378290 0.002242 O\n0.690505 0.243078 0.604099 O\n0.791111 0.057007 0.899472 O\n0.689671 0.594092 0.467116 O\n0.563131 0.841968 0.605468 O\n0.772197 0.892772 0.266892 O\n0.913263 0.661237 0.521418 O\n0.922080 0.505959 0.905332 O\n0.924806 0.899989 0.665164 O\n",
"nsites": 37,
"nelements": 6,
"elements": [
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"V",
"Cr",
"Fe",
"P",
"O"
],
"chemical_system": "Cr-Fe-Mg-O-P-V",
"density": 3.2737714334925525,
"density_atomic": 0.07958298809025052,
"volume": 464.92348286847954,
"volume_molar": 7.567120693144412,
"formula_full": "Mg1 V1 Cr2 Fe3 P6 O24",
"formula_reduced": "MgVCr2Fe3(PO4)6",
"formula_anonymous": "ABC2D3E6F24",
"energy": -296.79652251,
"energy_per_atom": -8.021527635405405,
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"spacegroup": 1
},
{
"id": "mp-1177690",
"created_at": "2022-09-04T14:39:36.775058Z",
"structure_string": "Li12 Cr4 P4 C4 O28\n1.0\n4.978185 0.000000 0.000000\n-0.703417 8.634560 0.000000\n-0.044988 -0.041424 12.944646\nLi Cr P C O\n12 4 4 4 28\ndirect\n0.232227 0.111145 0.127304 Li\n0.227937 0.111721 0.631017 Li\n0.743772 0.274590 0.517569 Li\n0.736256 0.276987 0.242435 Li\n0.761142 0.280859 0.733962 Li\n0.227899 0.355408 0.868402 Li\n0.248473 0.718362 0.980935 Li\n0.254560 0.724932 0.267203 Li\n0.261838 0.728542 0.490307 Li\n0.257498 0.721795 0.762228 Li\n0.770234 0.892232 0.379152 Li\n0.770597 0.890819 0.868155 Li\n0.758450 0.250361 0.987132 Cr\n0.203797 0.333248 0.375832 Cr\n0.791778 0.664909 0.126297 Cr\n0.796540 0.664873 0.625176 Cr\n0.269032 0.412330 0.126412 P\n0.276438 0.409272 0.627062 P\n0.722409 0.589039 0.375637 P\n0.717379 0.584597 0.874963 P\n0.295904 0.031505 0.373067 C\n0.290615 0.036768 0.881350 C\n0.705122 0.967263 0.625730 C\n0.709503 0.966503 0.121336 C\n0.038766 0.059511 0.881986 O\n0.043981 0.054450 0.373055 O\n0.626886 0.107434 0.113138 O\n0.621433 0.105541 0.626329 O\n0.474034 0.151956 0.370269 O\n0.470290 0.155891 0.883850 O\n0.161920 0.312358 0.531772 O\n0.158471 0.316994 0.031074 O\n0.153702 0.311908 0.218943 O\n0.167075 0.311906 0.719474 O\n0.812560 0.422435 0.375556 O\n0.817227 0.419470 0.872193 O\n0.589873 0.419115 0.624571 O\n0.581237 0.419097 0.129228 O\n0.410430 0.581133 0.375549 O\n0.406556 0.574668 0.874419 O\n0.181917 0.579747 0.127418 O\n0.186713 0.577065 0.626255 O\n0.838769 0.688254 0.468699 O\n0.836921 0.687830 0.282678 O\n0.832781 0.685052 0.782766 O\n0.831574 0.682865 0.968957 O\n0.530758 0.849662 0.128188 O\n0.529319 0.845503 0.624172 O\n0.377100 0.892652 0.375753 O\n0.371059 0.896920 0.875878 O\n0.961416 0.946716 0.122130 O\n0.957829 0.945806 0.627037 O\n",
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"elements": [
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"C",
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],
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"density": 2.7193190833646117,
"density_atomic": 0.09345486659504182,
"volume": 556.418321427028,
"volume_molar": 6.443902794377859,
"formula_full": "Li12 Cr4 P4 C4 O28",
"formula_reduced": "Li3CrPCO7",
"formula_anonymous": "ABCD3E7",
"energy": -382.73882972,
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"updated_at": "2021-11-28T01:34:35.294000Z",
"spacegroup": 1
},
{
"id": "mp-977242",
"created_at": "2022-09-04T14:39:39.402826Z",
"structure_string": "Hg6 Sb2\n1.0\n3.239575 -5.611108 0.000000\n3.239575 5.611108 0.000000\n0.000000 0.000000 5.778561\nHg Sb\n6 2\ndirect\n0.167727 0.335454 0.250000 Hg\n0.664546 0.832273 0.250000 Hg\n0.167727 0.832273 0.250000 Hg\n0.832273 0.664546 0.750000 Hg\n0.335454 0.167727 0.750000 Hg\n0.832273 0.167727 0.750000 Hg\n0.333333 0.666667 0.750000 Sb\n0.666667 0.333333 0.250000 Sb\n",
"nsites": 8,
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"elements": [
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],
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"density": 11.437978391191745,
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"volume": 210.08080095383298,
"volume_molar": 15.814201928969059,
"formula_full": "Hg6 Sb2",
"formula_reduced": "Hg3Sb",
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"energy": -9.07435615,
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"updated_at": "2021-11-28T01:34:43.756000Z",
"spacegroup": 194
},
{
"id": "mp-1175096",
"created_at": "2022-09-04T14:39:36.783101Z",
"structure_string": "Li7 Mn2 Co3 O12\n1.0\n1.460913 14.725949 0.000000\n-1.460913 14.725949 0.000000\n0.000000 0.784008 5.027433\nLi Mn Co O\n7 2 3 12\ndirect\n0.747721 0.747721 0.251927 Li\n0.581109 0.581109 0.087042 Li\n0.420333 0.420333 0.912784 Li\n0.078522 0.078522 0.574147 Li\n0.924484 0.924484 0.422022 Li\n0.248354 0.248354 0.746312 Li\n0.500177 0.500177 0.500927 Li\n0.999953 0.999953 0.000759 Mn\n0.833414 0.833414 0.833110 Mn\n0.666266 0.666266 0.666148 Co\n0.333410 0.333410 0.333582 Co\n0.166270 0.166270 0.165785 Co\n0.628353 0.628353 0.387498 O\n0.462514 0.462514 0.188263 O\n0.295659 0.295659 0.007375 O\n0.960713 0.960713 0.732289 O\n0.796783 0.796783 0.545635 O\n0.129215 0.129215 0.884333 O\n0.868749 0.868749 0.121964 O\n0.705728 0.705728 0.948327 O\n0.536506 0.536506 0.816434 O\n0.206293 0.206293 0.446247 O\n0.038827 0.038827 0.268280 O\n0.370647 0.370647 0.658813 O\n",
"nsites": 24,
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"elements": [
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],
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"density": 4.047494457031934,
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"volume": 216.3136536963346,
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"formula_full": "Li7 Mn2 Co3 O12",
"formula_reduced": "Li7Mn2(CoO4)3",
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"energy": -157.18266606,
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"spacegroup": 8
},
{
"id": "mp-1182632",
"created_at": "2022-09-04T14:39:36.795474Z",
"structure_string": "Fe1 H36 C12 S6 Br3 O6\n1.0\n8.415111 -5.462883 0.000000\n8.415111 5.462883 0.000000\n4.868742 0.000000 8.772259\nFe H C S Br O\n1 36 12 6 3 6\ndirect\n0.000000 0.000000 0.000000 Fe\n0.291819 0.583873 0.102699 H\n0.583873 0.102699 0.291819 H\n0.102699 0.291819 0.583873 H\n0.708181 0.416127 0.897301 H\n0.416127 0.897301 0.708181 H\n0.897301 0.708181 0.416127 H\n0.416405 0.547138 0.209032 H\n0.547138 0.209032 0.416405 H\n0.209032 0.416405 0.547138 H\n0.583595 0.452862 0.790968 H\n0.452862 0.790968 0.583595 H\n0.790968 0.583595 0.452862 H\n0.461618 0.650280 0.007129 H\n0.650280 0.007129 0.461618 H\n0.007129 0.461618 0.650280 H\n0.538382 0.349720 0.992871 H\n0.349720 0.992871 0.538382 H\n0.992871 0.538382 0.349720 H\n0.499028 0.855705 0.050881 H\n0.855705 0.050881 0.499028 H\n0.050881 0.499028 0.855705 H\n0.500972 0.144295 0.949119 H\n0.144295 0.949119 0.500972 H\n0.949119 0.500972 0.144295 H\n0.454239 0.769035 0.256158 H\n0.769035 0.256158 0.454239 H\n0.256158 0.454239 0.769035 H\n0.545761 0.230965 0.743842 H\n0.230965 0.743842 0.545761 H\n0.743842 0.545761 0.230965 H\n0.360023 0.968216 0.180489 H\n0.968216 0.180489 0.360023 H\n0.180489 0.360023 0.968216 H\n0.639977 0.031784 0.819511 H\n0.031784 0.819511 0.639977 H\n0.819511 0.639977 0.031784 H\n0.370169 0.627164 0.113650 C\n0.627164 0.113650 0.370169 C\n0.113650 0.370169 0.627164 C\n0.629831 0.372836 0.886350 C\n0.372836 0.886350 0.629831 C\n0.886350 0.629831 0.372836 C\n0.410362 0.855239 0.160809 C\n0.855239 0.160809 0.410362 C\n0.160809 0.410362 0.855239 C\n0.589638 0.144761 0.839191 C\n0.144761 0.839191 0.589638 C\n0.839191 0.589638 0.144761 C\n0.260667 0.801357 0.162383 S\n0.801357 0.162383 0.260667 S\n0.162383 0.260667 0.801357 S\n0.739333 0.198643 0.837617 S\n0.198643 0.837617 0.739333 S\n0.837617 0.739333 0.198643 S\n0.755364 0.755364 0.755364 Br\n0.244636 0.244636 0.244636 Br\n0.500000 0.500000 0.500000 Br\n0.216881 0.914574 0.015065 O\n0.914574 0.015065 0.216881 O\n0.015065 0.216881 0.914574 O\n0.783119 0.085426 0.984935 O\n0.085426 0.984935 0.783119 O\n0.984935 0.783119 0.085426 O\n",
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"elements": [
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],
"chemical_system": "Br-C-Fe-H-O-S",
"density": 1.5737020798832393,
"density_atomic": 0.07935180033377423,
"volume": 806.5349460352434,
"volume_molar": 7.589167145130062,
"formula_full": "Fe1 H36 C12 S6 Br3 O6",
"formula_reduced": "FeH36C12S6(BrO2)3",
"formula_anonymous": "AB3C6D6E12F36",
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"band_gap": 1.5168,
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"updated_at": "2021-11-28T01:34:29.314000Z",
"spacegroup": 148
},
{
"id": "mp-1198485",
"created_at": "2022-09-04T14:39:36.801499Z",
"structure_string": "Al8 Pb4 C8 O44\n1.0\n6.146351 0.000000 0.000000\n0.000000 8.970378 0.000000\n0.000000 0.000000 15.952916\nAl Pb C O\n8 4 8 44\ndirect\n0.024653 0.156845 0.699321 Al\n0.475347 0.343155 0.199321 Al\n0.524653 0.843155 0.300679 Al\n0.975347 0.656845 0.800679 Al\n0.975347 0.843155 0.300679 Al\n0.524653 0.656845 0.800679 Al\n0.475347 0.156845 0.699321 Al\n0.024653 0.343155 0.199321 Al\n0.750000 0.986766 0.904900 Pb\n0.750000 0.513234 0.404900 Pb\n0.250000 0.013234 0.095100 Pb\n0.250000 0.486766 0.595100 Pb\n0.250000 0.079622 0.855270 C\n0.250000 0.420378 0.355270 C\n0.750000 0.920378 0.144730 C\n0.750000 0.579622 0.644730 C\n0.250000 0.733568 0.948204 C\n0.250000 0.766432 0.448204 C\n0.750000 0.266432 0.051796 C\n0.750000 0.233568 0.551796 C\n0.065581 0.097098 0.815103 O\n0.434419 0.402902 0.315103 O\n0.565581 0.902902 0.184897 O\n0.934419 0.597098 0.684897 O\n0.934419 0.902902 0.184897 O\n0.565581 0.597098 0.684897 O\n0.434419 0.097098 0.815103 O\n0.065581 0.402902 0.315103 O\n0.250000 0.041288 0.931525 O\n0.250000 0.458712 0.431525 O\n0.750000 0.958712 0.068475 O\n0.750000 0.541288 0.568475 O\n0.064518 0.728266 0.909133 O\n0.435482 0.771734 0.409133 O\n0.564518 0.271734 0.090867 O\n0.935482 0.228266 0.590867 O\n0.935482 0.271734 0.090867 O\n0.564518 0.228266 0.590867 O\n0.435482 0.728266 0.909133 O\n0.064518 0.771734 0.409133 O\n0.250000 0.748342 0.027569 O\n0.250000 0.751658 0.527569 O\n0.750000 0.251658 0.972431 O\n0.750000 0.248342 0.472431 O\n0.250000 0.291810 0.701987 O\n0.250000 0.208190 0.201987 O\n0.750000 0.708190 0.298013 O\n0.750000 0.791810 0.798013 O\n0.750000 0.060512 0.711340 O\n0.750000 0.439488 0.211340 O\n0.250000 0.939488 0.288660 O\n0.250000 0.560512 0.788660 O\n0.250000 0.046072 0.659666 O\n0.250000 0.453928 0.159666 O\n0.750000 0.953928 0.340334 O\n0.750000 0.546072 0.840334 O\n0.750000 0.224371 0.739560 O\n0.750000 0.275629 0.239560 O\n0.250000 0.775629 0.260440 O\n0.250000 0.724371 0.760440 O\n0.250000 0.396343 0.951436 O\n0.250000 0.103657 0.451436 O\n0.750000 0.603657 0.048564 O\n0.750000 0.896343 0.548564 O\n",
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"updated_at": "2021-11-28T01:34:40.783000Z",
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},
{
"id": "mp-1215340",
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"structure_string": "Zr4 Al4 Fe4\n1.0\n-2.529586 -4.464642 0.000000\n-5.124780 0.037911 0.000000\n0.000000 0.000000 -8.321339\nZr Al Fe\n4 4 4\ndirect\n0.335182 0.333921 0.549378 Zr\n0.671434 0.670190 0.426054 Zr\n0.671434 0.670190 0.073946 Zr\n0.335182 0.333921 0.950622 Zr\n0.994377 0.995861 0.485471 Al\n0.994377 0.995861 0.014529 Al\n0.833558 0.343193 0.750000 Al\n0.344410 0.834033 0.750000 Al\n0.835352 0.832654 0.750000 Fe\n0.174511 0.640758 0.250000 Fe\n0.641249 0.176668 0.250000 Fe\n0.168936 0.172750 0.250000 Fe\n",
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}
]
}