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{
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"results": [
{
"id": "mp-766935",
"created_at": "2022-09-04T14:48:28.276279Z",
"structure_string": "Na4 Mn4 P4 C4 O28\n1.0\n6.252842 0.000000 0.000000\n-0.212672 9.088036 0.000000\n-0.042712 -0.361849 10.467371\nNa Mn P C O\n4 4 4 4 28\ndirect\n0.467291 0.240716 0.376229 Na\n0.028638 0.241412 0.876891 Na\n0.974238 0.759697 0.119577 Na\n0.974976 0.760715 0.621665 Na\n0.748283 0.342151 0.108782 Mn\n0.751674 0.342043 0.609031 Mn\n0.260469 0.657831 0.391576 Mn\n0.264563 0.658298 0.891514 Mn\n0.251063 0.433063 0.141464 P\n0.251070 0.432651 0.641583 P\n0.753288 0.567484 0.358905 P\n0.756246 0.567403 0.858911 P\n0.745685 0.076485 0.134459 C\n0.740156 0.076183 0.634694 C\n0.244369 0.922503 0.365232 C\n0.258208 0.923665 0.865251 C\n0.231958 0.056059 0.349940 O\n0.253527 0.057284 0.850081 O\n0.750468 0.140952 0.023717 O\n0.733969 0.141022 0.524028 O\n0.740641 0.176856 0.229317 O\n0.745611 0.176758 0.729710 O\n0.056342 0.330098 0.104107 O\n0.442667 0.332037 0.113248 O\n0.056423 0.325761 0.615373 O\n0.442768 0.335777 0.602800 O\n0.250788 0.474158 0.287285 O\n0.745503 0.425041 0.434268 O\n0.253206 0.474482 0.787307 O\n0.757908 0.425048 0.934265 O\n0.250029 0.575097 0.065652 O\n0.762319 0.526569 0.213121 O\n0.241774 0.574152 0.565439 O\n0.763190 0.526557 0.713112 O\n0.563430 0.669044 0.389698 O\n0.949455 0.669425 0.394886 O\n0.566868 0.667700 0.891903 O\n0.952770 0.671002 0.892826 O\n0.249802 0.821852 0.270489 O\n0.260261 0.822625 0.770484 O\n0.253889 0.858745 0.476236 O\n0.260601 0.859206 0.976225 O\n0.746045 0.942138 0.149408 O\n0.743374 0.942260 0.649311 O\n",
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"volume": 594.8193812924683,
"volume_molar": 8.14110463845308,
"formula_full": "Na4 Mn4 P4 C4 O28",
"formula_reduced": "NaMnPCO7",
"formula_anonymous": "ABCDE7",
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"updated_at": "2021-11-28T01:39:44.703000Z",
"spacegroup": 1
},
{
"id": "mp-1199561",
"created_at": "2022-09-04T14:48:28.275616Z",
"structure_string": "Fe8 Si8 O24\n1.0\n9.226737 0.000000 0.000000\n0.000000 5.315424 0.000000\n0.000000 2.170403 9.338337\nFe Si O\n8 8 24\ndirect\n0.846319 0.522297 0.747692 Fe\n0.346319 0.977703 0.252308 Fe\n0.153681 0.477703 0.252308 Fe\n0.653681 0.022297 0.747692 Fe\n0.487663 0.526328 0.748271 Fe\n0.987663 0.973672 0.251729 Fe\n0.512337 0.473672 0.251729 Fe\n0.012337 0.026328 0.748271 Fe\n0.162168 0.256816 0.954228 Si\n0.662168 0.243184 0.045772 Si\n0.837832 0.743184 0.045772 Si\n0.337832 0.756816 0.954228 Si\n0.666048 0.809362 0.447157 Si\n0.166048 0.690638 0.552843 Si\n0.333952 0.190638 0.552843 Si\n0.833952 0.309362 0.447157 Si\n0.161620 0.192001 0.128981 O\n0.661620 0.307999 0.871019 O\n0.838380 0.807999 0.871019 O\n0.338380 0.692001 0.128981 O\n0.662448 0.731952 0.622933 O\n0.162448 0.768048 0.377067 O\n0.337552 0.268048 0.377067 O\n0.837552 0.231952 0.622933 O\n0.005276 0.289632 0.875536 O\n0.505276 0.210368 0.124464 O\n0.994724 0.710368 0.124464 O\n0.494724 0.789632 0.875536 O\n0.521067 0.751805 0.364213 O\n0.021067 0.748195 0.635787 O\n0.478933 0.248195 0.635787 O\n0.978933 0.251805 0.364213 O\n0.231688 0.010202 0.894475 O\n0.731688 0.489798 0.105525 O\n0.768312 0.989798 0.105525 O\n0.268312 0.510202 0.894475 O\n0.796241 0.625878 0.397019 O\n0.296241 0.874122 0.602981 O\n0.203759 0.374122 0.602981 O\n0.703759 0.125878 0.397019 O\n",
"nsites": 40,
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"elements": [
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"Si",
"O"
],
"chemical_system": "Fe-O-Si",
"density": 3.826685495614563,
"density_atomic": 0.08733823158571663,
"volume": 457.98957997841615,
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"formula_full": "Fe8 Si8 O24",
"formula_reduced": "FeSiO3",
"formula_anonymous": "ABC3",
"energy": -332.99802729,
"energy_per_atom": -8.32495068225,
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"updated_at": "2021-11-28T01:39:22.701000Z",
"spacegroup": 14
},
{
"id": "mp-1097562",
"created_at": "2022-09-04T14:48:28.274140Z",
"structure_string": "Ca1 Hg2 Pb1\n1.0\n-6.030871 6.304210 8.885748\n6.030871 -6.304210 8.885748\n6.030871 6.304210 -8.885748\nCa Hg Pb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.256100 0.256100 Hg\n0.000000 0.743900 0.743900 Hg\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Ca-Hg-Pb",
"density": 0.7968310623763107,
"density_atomic": 0.002960024440274489,
"volume": 1351.3401935387642,
"volume_molar": 203.449021503402,
"formula_full": "Ca1 Hg2 Pb1",
"formula_reduced": "CaHg2Pb",
"formula_anonymous": "ABC2",
"energy": -2.92022167,
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"energy_uncorrected": -2.92022167,
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"updated_at": "2021-11-28T01:39:15.845000Z",
"spacegroup": 71
},
{
"id": "mp-1245681",
"created_at": "2022-09-04T14:48:28.272387Z",
"structure_string": "Ga4 Co4 N8\n1.0\n5.497970 0.000000 0.000000\n0.000000 6.313611 0.000000\n0.000000 0.000000 5.029313\nGa Co N\n4 4 8\ndirect\n0.583222 0.373928 0.004632 Ga\n0.416778 0.626072 0.504632 Ga\n0.916778 0.873928 0.504632 Ga\n0.083222 0.126072 0.004632 Ga\n0.581990 0.880021 0.997596 Co\n0.418010 0.119979 0.497596 Co\n0.918010 0.380021 0.497596 Co\n0.081990 0.619979 0.997596 Co\n0.590233 0.366645 0.400031 N\n0.409767 0.633355 0.900031 N\n0.909767 0.866645 0.900031 N\n0.090233 0.133355 0.400031 N\n0.584712 0.878472 0.367740 N\n0.415288 0.121528 0.867740 N\n0.915288 0.378472 0.867740 N\n0.084712 0.621528 0.367740 N\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ga",
"Co",
"N"
],
"chemical_system": "Co-Ga-N",
"density": 5.960805604349367,
"density_atomic": 0.0916497177510261,
"volume": 174.57773349030163,
"volume_molar": 6.570823029002266,
"formula_full": "Ga4 Co4 N8",
"formula_reduced": "GaCoN2",
"formula_anonymous": "ABC2",
"energy": -108.11055346,
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"updated_at": "2021-11-28T01:39:19.946000Z",
"spacegroup": 33
},
{
"id": "mp-1187672",
"created_at": "2022-09-04T14:48:28.270779Z",
"structure_string": "Tm6 Tl2\n1.0\n3.396447 -5.882818 0.000000\n3.396447 5.882818 0.000000\n0.000000 0.000000 5.587991\nTm Tl\n6 2\ndirect\n0.168084 0.336169 0.250000 Tm\n0.663831 0.831916 0.250000 Tm\n0.168084 0.831916 0.250000 Tm\n0.831916 0.663831 0.750000 Tm\n0.336169 0.168084 0.750000 Tm\n0.831916 0.168084 0.750000 Tm\n0.333333 0.666667 0.750000 Tl\n0.666667 0.333333 0.250000 Tl\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Tm",
"Tl"
],
"chemical_system": "Tl-Tm",
"density": 10.577092463759126,
"density_atomic": 0.035825646702715215,
"volume": 223.30371497225985,
"volume_molar": 16.809580047423353,
"formula_full": "Tm6 Tl2",
"formula_reduced": "Tm3Tl",
"formula_anonymous": "AB3",
"energy": -32.77769856,
"energy_per_atom": -4.09721232,
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"updated_at": "2021-11-28T01:39:17.095000Z",
"spacegroup": 194
},
{
"id": "mp-1201689",
"created_at": "2022-09-04T14:48:28.265078Z",
"structure_string": "La8 Ni24 B8\n1.0\n4.945077 -8.232858 0.000000\n4.945077 8.232858 0.000000\n0.000000 0.000000 7.160559\nLa Ni B\n8 24 8\ndirect\n0.454785 0.025011 0.750000 La\n0.025011 0.454785 0.250000 La\n0.545215 0.974989 0.250000 La\n0.974989 0.545215 0.750000 La\n0.536671 0.463329 0.750000 La\n0.463329 0.536671 0.250000 La\n0.035818 0.964182 0.750000 La\n0.964182 0.035818 0.250000 La\n0.747848 0.005232 0.926126 Ni\n0.005232 0.747848 0.073874 Ni\n0.747848 0.005232 0.573874 Ni\n0.005232 0.747848 0.426126 Ni\n0.252152 0.994768 0.073874 Ni\n0.994768 0.252152 0.926126 Ni\n0.252152 0.994768 0.426126 Ni\n0.994768 0.252152 0.573874 Ni\n0.505252 0.747839 0.925999 Ni\n0.747839 0.505252 0.074001 Ni\n0.505252 0.747839 0.574001 Ni\n0.747839 0.505252 0.425999 Ni\n0.494748 0.252161 0.074001 Ni\n0.252161 0.494748 0.925999 Ni\n0.494748 0.252161 0.425999 Ni\n0.252161 0.494748 0.574001 Ni\n0.741001 0.258999 0.987057 Ni\n0.258999 0.741001 0.012943 Ni\n0.741001 0.258999 0.512943 Ni\n0.258999 0.741001 0.487057 Ni\n0.758479 0.758479 0.000000 Ni\n0.758479 0.758479 0.500000 Ni\n0.241521 0.241521 0.000000 Ni\n0.241521 0.241521 0.500000 Ni\n0.690742 0.822730 0.750000 B\n0.822730 0.690742 0.250000 B\n0.309258 0.177270 0.250000 B\n0.177270 0.309258 0.750000 B\n0.809758 0.190243 0.750000 B\n0.190242 0.809758 0.250000 B\n0.322184 0.677816 0.750000 B\n0.677816 0.322184 0.250000 B\n",
"nsites": 40,
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"formula_full": "La8 Ni24 B8",
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"updated_at": "2021-11-28T01:39:20.496000Z",
"spacegroup": 63
},
{
"id": "mp-574266",
"created_at": "2022-09-04T14:48:28.264643Z",
"structure_string": "Mg8 Ga8\n1.0\n-5.345828 5.345828 2.750894\n5.345828 -5.345828 2.750894\n5.345828 5.345828 -2.750894\nMg Ga\n8 8\ndirect\n0.132514 0.338614 0.941366 Mg\n0.808851 0.867486 0.206099 Mg\n0.661386 0.602752 0.793901 Mg\n0.397248 0.191149 0.058634 Mg\n0.852752 0.558851 0.441366 Mg\n0.588614 0.147248 0.706099 Mg\n0.441149 0.882514 0.293901 Mg\n0.117486 0.411386 0.558634 Mg\n0.692794 0.887902 0.587662 Ga\n0.355131 0.442794 0.304891 Ga\n0.137902 0.050240 0.695109 Ga\n0.300240 0.105131 0.412338 Ga\n0.949760 0.644869 0.087662 Ga\n0.112098 0.699760 0.804891 Ga\n0.894869 0.307206 0.195109 Ga\n0.557206 0.862098 0.912338 Ga\n",
"nsites": 16,
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],
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"density": 3.972212492670881,
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"volume": 314.458841549596,
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"formula_full": "Mg8 Ga8",
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"updated_at": "2021-11-28T01:39:15.235000Z",
"spacegroup": 88
},
{
"id": "mp-990257",
"created_at": "2022-09-04T14:48:28.262585Z",
"structure_string": "Ag1 Sn1 F6\n1.0\n-5.329677 0.000000 0.000000\n2.612147 4.802884 0.000000\n-0.053665 -2.828706 -5.002421\nAg Sn F\n1 1 6\ndirect\n0.000000 0.000000 0.000000 Ag\n0.500000 0.000000 0.500000 Sn\n0.422320 0.006089 0.280186 F\n0.577680 0.993911 0.719814 F\n0.254884 0.376733 0.739618 F\n0.745116 0.623267 0.260382 F\n0.870510 0.651437 0.738475 F\n0.129490 0.348563 0.261525 F\n",
"nsites": 8,
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"F"
],
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"density": 4.416421340340002,
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"volume": 128.05107426550046,
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"formula_full": "Ag1 Sn1 F6",
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"formula_anonymous": "ABC6",
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"updated_at": "2021-11-28T01:39:28.255000Z",
"spacegroup": 2
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{
"id": "mp-1195376",
"created_at": "2022-09-04T14:48:28.261456Z",
"structure_string": "La4 H8 S8 N4 O36\n1.0\n10.127427 0.000000 0.000000\n0.000000 8.469251 0.000000\n0.000000 7.356928 9.567725\nLa H S N O\n4 8 8 4 36\ndirect\n0.336333 0.284638 0.750156 La\n0.836333 0.715362 0.749844 La\n0.663667 0.715362 0.249844 La\n0.163667 0.284638 0.250156 La\n0.105454 0.014468 0.774547 H\n0.605454 0.985532 0.725453 H\n0.894546 0.985532 0.225453 H\n0.394546 0.014468 0.274547 H\n0.123119 0.190422 0.612077 H\n0.623119 0.809578 0.887923 H\n0.876881 0.809578 0.387923 H\n0.376881 0.190422 0.112077 H\n0.588843 0.255109 0.928544 S\n0.088843 0.744891 0.571456 S\n0.411157 0.744891 0.071456 S\n0.911157 0.255109 0.428544 S\n0.414621 0.296220 0.483853 S\n0.914621 0.703780 0.016147 S\n0.585379 0.703780 0.516147 S\n0.085379 0.296220 0.983853 S\n0.144564 0.743813 0.270188 N\n0.644564 0.256187 0.229812 N\n0.855436 0.256187 0.729812 N\n0.355436 0.743813 0.770188 N\n0.528838 0.399178 0.388129 O\n0.028838 0.600822 0.111871 O\n0.471162 0.600822 0.611871 O\n0.971162 0.399178 0.888129 O\n0.334027 0.203734 0.434816 O\n0.834027 0.796266 0.065184 O\n0.665973 0.796266 0.565184 O\n0.165973 0.203734 0.934816 O\n0.460909 0.145509 0.630124 O\n0.960909 0.854491 0.869876 O\n0.539091 0.854491 0.369876 O\n0.039091 0.145509 0.130124 O\n0.638441 0.087058 0.068481 O\n0.138441 0.912942 0.431519 O\n0.361559 0.912942 0.931519 O\n0.861559 0.087058 0.568481 O\n0.331867 0.441561 0.485276 O\n0.831867 0.558439 0.014724 O\n0.668133 0.558439 0.514724 O\n0.168133 0.441561 0.985276 O\n0.677851 0.427206 0.868493 O\n0.177851 0.572794 0.631507 O\n0.322149 0.572794 0.131507 O\n0.822149 0.427206 0.368493 O\n0.449931 0.306147 0.938711 O\n0.949931 0.693853 0.561289 O\n0.550069 0.693853 0.061289 O\n0.050069 0.306147 0.438711 O\n0.583532 0.196519 0.834208 O\n0.083532 0.803481 0.665792 O\n0.416468 0.803481 0.165792 O\n0.916468 0.196519 0.334208 O\n0.158897 0.133174 0.705368 O\n0.658897 0.866826 0.794632 O\n0.841103 0.866826 0.294632 O\n0.341103 0.133174 0.205368 O\n",
"nsites": 60,
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"elements": [
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"H",
"S",
"N",
"O"
],
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"density": 2.938501321022677,
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"volume": 820.6402416696467,
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"formula_full": "La4 H8 S8 N4 O36",
"formula_reduced": "LaH2S2NO9",
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"energy": -388.00806543,
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