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{
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"results": [
{
"id": "mp-1046382",
"created_at": "2022-09-04T14:39:08.371473Z",
"structure_string": "Sr4 Al2 Cu6 O14\n1.0\n5.223418 -0.001618 -1.202079\n-0.279168 5.154045 -1.199840\n0.054712 0.102748 12.116649\nSr Al Cu O\n4 2 6 14\ndirect\n0.332800 0.347084 0.697986 Sr\n0.637495 0.659455 0.302852 Sr\n0.832028 0.855907 0.697599 Sr\n0.138787 0.153010 0.302233 Sr\n0.987623 0.002033 0.000094 Al\n0.484038 0.492721 0.000698 Al\n0.259398 0.695531 0.500291 Cu\n0.760413 0.307288 0.500231 Cu\n0.921833 0.441312 0.880529 Cu\n0.046607 0.562919 0.119967 Cu\n0.422521 0.937127 0.880875 Cu\n0.549176 0.060629 0.120385 Cu\n0.104931 0.355470 0.500086 O\n0.603062 0.639824 0.500209 O\n0.249607 0.265283 0.889969 O\n0.363355 0.733528 0.107666 O\n0.749095 0.124438 0.893157 O\n0.868081 0.882233 0.110567 O\n0.604256 0.621798 0.892758 O\n0.719977 0.381092 0.111527 O\n0.102377 0.769238 0.889334 O\n0.221372 0.235564 0.107737 O\n0.311315 0.832945 0.660984 O\n0.651657 0.169475 0.338880 O\n0.810521 0.329068 0.661174 O\n0.152318 0.673289 0.339500 O\n",
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"volume": 327.2132047534854,
"volume_molar": 7.578938375216116,
"formula_full": "Sr4 Al2 Cu6 O14",
"formula_reduced": "Sr2AlCu3O7",
"formula_anonymous": "AB2C3D7",
"energy": -161.17291672,
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"spacegroup": 9
},
{
"id": "mp-1210070",
"created_at": "2022-09-04T14:39:08.372789Z",
"structure_string": "Nd4 Ni24 P10\n1.0\n3.671125 0.000000 0.000000\n0.000000 10.857604 0.000000\n0.000000 4.056576 12.510656\nNd Ni P\n4 24 10\ndirect\n0.250000 0.280050 0.682954 Nd\n0.750000 0.719950 0.317046 Nd\n0.250000 0.247509 0.187028 Nd\n0.750000 0.752491 0.812972 Nd\n0.250000 0.842600 0.135668 Ni\n0.750000 0.157400 0.864332 Ni\n0.250000 0.288026 0.438143 Ni\n0.750000 0.711974 0.561857 Ni\n0.250000 0.071547 0.014730 Ni\n0.750000 0.928453 0.985270 Ni\n0.250000 0.065860 0.447775 Ni\n0.750000 0.934140 0.552225 Ni\n0.250000 0.596096 0.695605 Ni\n0.750000 0.403904 0.304395 Ni\n0.250000 0.581932 0.008198 Ni\n0.750000 0.418068 0.991802 Ni\n0.250000 0.579252 0.509605 Ni\n0.750000 0.420748 0.490395 Ni\n0.250000 0.298535 0.918399 Ni\n0.750000 0.701465 0.081601 Ni\n0.250000 0.992576 0.659693 Ni\n0.750000 0.007424 0.340307 Ni\n0.250000 0.841875 0.438105 Ni\n0.750000 0.158125 0.561895 Ni\n0.250000 0.988464 0.849264 Ni\n0.750000 0.011536 0.150736 Ni\n0.250000 0.562561 0.203561 Ni\n0.750000 0.437439 0.796439 Ni\n0.250000 0.508229 0.870929 P\n0.750000 0.491771 0.129071 P\n0.250000 0.798771 0.983445 P\n0.750000 0.201229 0.016555 P\n0.250000 0.494153 0.378365 P\n0.750000 0.505847 0.621635 P\n0.250000 0.810678 0.611987 P\n0.750000 0.189322 0.388013 P\n0.250000 0.950028 0.259867 P\n0.750000 0.049972 0.740133 P\n",
"nsites": 38,
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"elements": [
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],
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"density": 7.643358600442379,
"density_atomic": 0.07620269724173757,
"volume": 498.6700126827889,
"volume_molar": 7.9027921293861585,
"formula_full": "Nd4 Ni24 P10",
"formula_reduced": "Nd2Ni12P5",
"formula_anonymous": "A2B5C12",
"energy": -237.96772084,
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"updated_at": "2021-11-28T01:34:25.540000Z",
"spacegroup": 11
},
{
"id": "mp-546027",
"created_at": "2022-09-04T14:39:08.375821Z",
"structure_string": "Cr2 Bi2 O6\n1.0\n-3.237750 4.569093 -0.000015\n-4.842803 -0.000026 2.811866\n1.631085 4.587553 2.809194\nCr Bi O\n2 2 6\ndirect\n0.545497 0.727253 0.181744 Cr\n0.545456 0.227273 0.681821 Cr\n0.989772 0.505113 0.515344 Bi\n0.989928 0.005036 0.015107 Bi\n0.648845 0.949387 0.900658 O\n0.501117 0.449377 0.400667 O\n0.048707 0.049502 0.400667 O\n0.648828 0.901786 0.400676 O\n0.501126 0.549495 0.900651 O\n0.048724 0.401777 0.900664 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
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"Bi",
"O"
],
"chemical_system": "Bi-Cr-O",
"density": 8.216822604727415,
"density_atomic": 0.08007591291895187,
"volume": 124.88149851156129,
"volume_molar": 7.520539623563526,
"formula_full": "Cr2 Bi2 O6",
"formula_reduced": "CrBiO3",
"formula_anonymous": "ABC3",
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"energy_uncorrected": -68.5484541,
"band_gap": 1.5415,
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"is_magnetic": true,
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"updated_at": "2021-11-28T01:34:35.335000Z",
"spacegroup": 161
},
{
"id": "mp-1025370",
"created_at": "2022-09-04T14:39:08.378760Z",
"structure_string": "In1 Si1 Pt5\n1.0\n4.000793 0.000000 0.000000\n0.000000 4.000793 0.000000\n0.000000 0.000000 7.147662\nIn Si Pt\n1 1 5\ndirect\n0.500000 0.500000 0.000000 In\n0.000000 0.000000 0.500000 Si\n0.000000 0.000000 0.000000 Pt\n0.500000 0.000000 0.703099 Pt\n0.000000 0.500000 0.703099 Pt\n0.500000 0.000000 0.296901 Pt\n0.000000 0.500000 0.296901 Pt\n",
"nsites": 7,
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"elements": [
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"Si",
"Pt"
],
"chemical_system": "In-Pt-Si",
"density": 16.231564350813752,
"density_atomic": 0.061184563962542876,
"volume": 114.40794126252811,
"volume_molar": 9.842581804925091,
"formula_full": "In1 Si1 Pt5",
"formula_reduced": "InSiPt5",
"formula_anonymous": "ABC5",
"energy": -42.23048401,
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"energy_uncorrected": -42.23048401,
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"updated_at": "2021-11-28T01:34:30.498000Z",
"spacegroup": 123
},
{
"id": "mp-568017",
"created_at": "2022-09-04T14:39:08.389967Z",
"structure_string": "Ga32 Cu12 W8\n1.0\n-6.018496 6.018496 6.018496\n6.018496 -6.018496 6.018496\n6.018496 6.018496 -6.018496\nGa Cu W\n32 12 8\ndirect\n0.000000 0.209989 0.500000 Ga\n0.010547 0.000555 0.767448 Ga\n0.243099 0.732552 0.733107 Ga\n0.733107 0.243099 0.732552 Ga\n0.490008 0.756901 0.989453 Ga\n0.233107 0.232552 0.743099 Ga\n0.990008 0.489453 0.256901 Ga\n0.743099 0.233107 0.232552 Ga\n0.500000 0.000000 0.709989 Ga\n0.989453 0.490008 0.756901 Ga\n0.709989 0.500000 0.000000 Ga\n0.499445 0.509992 0.766893 Ga\n0.999445 0.266893 0.009992 Ga\n0.509992 0.766893 0.499445 Ga\n0.000555 0.767448 0.010547 Ga\n0.489453 0.256901 0.990008 Ga\n0.009992 0.999445 0.266893 Ga\n0.510547 0.267448 0.500555 Ga\n0.232552 0.743099 0.233107 Ga\n0.732552 0.733107 0.243099 Ga\n0.766893 0.499445 0.509992 Ga\n0.000000 0.709989 0.500000 Ga\n0.767448 0.010547 0.000555 Ga\n0.267448 0.500555 0.510547 Ga\n0.290011 0.290011 0.290011 Ga\n0.790011 0.790011 0.790011 Ga\n0.266893 0.009992 0.999445 Ga\n0.500000 0.000000 0.209989 Ga\n0.256901 0.990008 0.489453 Ga\n0.756901 0.989453 0.490008 Ga\n0.209989 0.500000 0.000000 Ga\n0.500555 0.510547 0.267448 Ga\n0.231989 0.481989 0.750000 Cu\n0.750000 0.518011 0.768011 Cu\n0.250000 0.981989 0.731989 Cu\n0.750000 0.231989 0.481989 Cu\n0.981989 0.731989 0.250000 Cu\n0.481989 0.750000 0.231989 Cu\n0.768011 0.750000 0.518011 Cu\n0.018011 0.250000 0.268011 Cu\n0.731989 0.250000 0.981989 Cu\n0.518011 0.768011 0.750000 Cu\n0.250000 0.268011 0.018011 Cu\n0.268011 0.018011 0.250000 Cu\n0.500000 0.000000 0.457924 W\n0.542076 0.542076 0.542076 W\n0.957924 0.500000 0.000000 W\n0.000000 0.957924 0.500000 W\n0.457924 0.500000 0.000000 W\n0.500000 0.000000 0.957924 W\n0.042076 0.042076 0.042076 W\n0.000000 0.457924 0.500000 W\n",
"nsites": 52,
"nelements": 3,
"elements": [
"Ga",
"Cu",
"W"
],
"chemical_system": "Cu-Ga-W",
"density": 8.50137268254568,
"density_atomic": 0.05963200662194107,
"volume": 872.0149286552275,
"volume_molar": 10.098839702275265,
"formula_full": "Ga32 Cu12 W8",
"formula_reduced": "Ga8Cu3W2",
"formula_anonymous": "A2B3C8",
"energy": -255.41761516,
"energy_per_atom": -4.911877214615385,
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"energy_uncorrected": -255.41761516,
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"updated_at": "2021-11-28T01:34:25.654000Z",
"spacegroup": 220
},
{
"id": "mp-1238611",
"created_at": "2022-09-04T14:39:08.391878Z",
"structure_string": "Hg4 Cl4 O24\n1.0\n-3.715533 3.827256 9.615830\n3.715533 -3.827256 9.615830\n3.715533 3.827256 -9.615830\nHg Cl O\n4 4 24\ndirect\n0.626921 0.678620 0.948301 Hg\n0.373079 0.321380 0.051699 Hg\n0.230319 0.178620 0.051699 Hg\n0.769681 0.821380 0.948301 Hg\n0.098527 0.637580 0.460946 Cl\n0.901473 0.362420 0.539054 Cl\n0.676634 0.137580 0.539054 Cl\n0.323366 0.862420 0.460946 Cl\n0.227043 0.499792 0.412397 O\n0.772957 0.185355 0.272750 O\n0.587395 0.999792 0.272750 O\n0.412605 0.685355 0.412397 O\n0.772957 0.500208 0.587603 O\n0.227043 0.814645 0.727250 O\n0.412605 0.000208 0.727250 O\n0.587395 0.314645 0.587603 O\n0.989777 0.564378 0.425400 O\n0.010223 0.435622 0.574600 O\n0.638978 0.064378 0.574600 O\n0.361022 0.935622 0.425400 O\n0.979019 0.678145 0.300874 O\n0.020981 0.321855 0.699126 O\n0.877270 0.178145 0.699126 O\n0.122730 0.821855 0.300874 O\n0.444075 0.567912 0.876164 O\n0.555925 0.432088 0.123836 O\n0.191748 0.067912 0.123836 O\n0.808252 0.932088 0.876164 O\n0.273495 0.273495 0.500000 O\n0.726505 0.226505 0.000000 O\n0.273495 0.773495 0.000000 O\n0.726505 0.726505 0.500000 O\n",
"nsites": 32,
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"elements": [
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"Cl",
"O"
],
"chemical_system": "Cl-Hg-O",
"density": 4.0322115161351055,
"density_atomic": 0.058505214339382966,
"volume": 546.9597942906621,
"volume_molar": 10.293340222746911,
"formula_full": "Hg4 Cl4 O24",
"formula_reduced": "HgClO6",
"formula_anonymous": "ABC6",
"energy": -123.41203676,
"energy_per_atom": -3.85662614875,
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"updated_at": "2021-11-28T01:34:29.621000Z",
"spacegroup": 74
},
{
"id": "mp-975019",
"created_at": "2022-09-04T14:39:08.394531Z",
"structure_string": "Rb3 Cd1\n1.0\n6.312502 0.000000 0.000000\n0.000000 6.312502 0.000000\n0.000000 0.000000 6.312502\nRb Cd\n3 1\ndirect\n0.000000 0.500000 0.500000 Rb\n0.500000 0.000000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 4,
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"elements": [
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],
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"density": 2.4347388218027315,
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"volume": 251.53856916413827,
"volume_molar": 37.870016751885906,
"formula_full": "Rb3 Cd1",
"formula_reduced": "Rb3Cd",
"formula_anonymous": "AB3",
"energy": -3.64744288,
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"updated_at": "2021-11-28T01:34:41.218000Z",
"spacegroup": 221
},
{
"id": "mp-5077",
"created_at": "2022-09-04T14:39:08.455294Z",
"structure_string": "Na1 Li2 Sb1\n1.0\n0.000000 3.423871 3.423871\n3.423871 0.000000 3.423871\n3.423871 3.423871 0.000000\nNa Li Sb\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Na\n0.250000 0.250000 0.250000 Li\n0.750000 0.750000 0.750000 Li\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 4,
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"elements": [
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"Li",
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],
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"density": 3.281384250173962,
"density_atomic": 0.04982850015155203,
"volume": 80.27534418724441,
"volume_molar": 12.085735556325844,
"formula_full": "Na1 Li2 Sb1",
"formula_reduced": "NaLi2Sb",
"formula_anonymous": "ABC2",
"energy": -11.76406728,
"energy_per_atom": -2.94101682,
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"energy_uncorrected": -11.57206728,
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"updated_at": "2021-11-28T01:34:33.747000Z",
"spacegroup": 225
},
{
"id": "mp-758732",
"created_at": "2022-09-04T14:39:08.394772Z",
"structure_string": "Li9 Co13 O28\n1.0\n7.438953 0.000000 0.000000\n-2.130121 7.820139 0.000000\n-2.124130 -2.348269 7.915773\nLi Co O\n9 13 28\ndirect\n0.902773 0.270261 0.220346 Li\n0.224278 0.138796 0.346952 Li\n0.306342 0.356379 0.139882 Li\n0.710649 0.644671 0.868306 Li\n0.004161 0.498797 0.002880 Li\n0.778854 0.872203 0.635653 Li\n0.420454 0.784178 0.711948 Li\n0.070771 0.720560 0.795496 Li\n0.143697 0.938662 0.561133 Li\n0.718080 0.139646 0.858589 Co\n0.356082 0.075367 0.936966 Co\n0.070556 0.211259 0.788579 Co\n0.782081 0.347522 0.636827 Co\n0.432492 0.291522 0.721158 Co\n0.144948 0.430032 0.573785 Co\n0.500521 0.499068 0.500365 Co\n0.856177 0.567978 0.426752 Co\n0.571157 0.714070 0.283193 Co\n0.217792 0.648081 0.360573 Co\n0.927859 0.787583 0.207717 Co\n0.645037 0.926212 0.068365 Co\n0.283092 0.858422 0.140551 Co\n0.901117 0.003834 0.200551 O\n0.799432 0.123400 0.663393 O\n0.441608 0.063784 0.740783 O\n0.982953 0.243672 0.973596 O\n0.292623 0.085937 0.126050 O\n0.634675 0.153278 0.052366 O\n0.706409 0.367837 0.835067 O\n0.344376 0.300216 0.913260 O\n0.504124 0.272924 0.525619 O\n0.873817 0.349625 0.446904 O\n0.163644 0.205235 0.595461 O\n0.053165 0.437027 0.764970 O\n0.422917 0.516927 0.698341 O\n0.778022 0.585458 0.625183 O\n0.225498 0.413953 0.374233 O\n0.585569 0.490059 0.307570 O\n0.945837 0.560138 0.238149 O\n0.845969 0.795517 0.407650 O\n0.129963 0.662210 0.557949 O\n0.494322 0.729358 0.481138 O\n0.655097 0.699284 0.088878 O\n0.298367 0.628659 0.167062 O\n0.365642 0.844862 0.943634 O\n0.697595 0.909243 0.863023 O\n0.008236 0.749312 0.024412 O\n0.555119 0.930348 0.254895 O\n0.199304 0.877056 0.337675 O\n0.094939 0.992602 0.787637 O\n",
"nsites": 50,
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"elements": [
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],
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"density": 4.603400763362636,
"density_atomic": 0.10858013705321683,
"volume": 460.489380074131,
"volume_molar": 5.546263730583112,
"formula_full": "Li9 Co13 O28",
"formula_reduced": "Li9Co13O28",
"formula_anonymous": "A9B13C28",
"energy": -324.11738185,
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},
{
"id": "mp-770371",
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"structure_string": "Li4 Ti3 Mn2 Fe3 O16\n1.0\n2.953437 5.187335 0.000000\n-2.953437 5.187335 0.000000\n0.000000 0.350066 9.591464\nLi Ti Mn Fe O\n4 3 2 3 16\ndirect\n0.667768 0.667768 0.107426 Li\n0.988185 0.988185 0.011110 Li\n0.997470 0.997470 0.501709 Li\n0.334012 0.334012 0.600305 Li\n0.331670 0.831349 0.786173 Ti\n0.831349 0.331670 0.786173 Ti\n0.176936 0.176936 0.284063 Ti\n0.669314 0.669314 0.513811 Mn\n0.337657 0.337657 0.017097 Mn\n0.827303 0.827303 0.785506 Fe\n0.181044 0.662637 0.289849 Fe\n0.662637 0.181044 0.289849 Fe\n0.341705 0.837291 0.403912 O\n0.521002 0.521002 0.658079 O\n0.655686 0.655686 0.894049 O\n0.999933 0.999933 0.687216 O\n0.009648 0.009648 0.197517 O\n0.837291 0.341705 0.403912 O\n0.515053 0.954533 0.656017 O\n0.954533 0.515053 0.656017 O\n0.153803 0.153803 0.888682 O\n0.833236 0.833236 0.404735 O\n0.045404 0.478177 0.156181 O\n0.478177 0.045404 0.156181 O\n0.326257 0.326257 0.398401 O\n0.166017 0.666835 0.896044 O\n0.489609 0.489609 0.166105 O\n0.666835 0.166017 0.896044 O\n",
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"volume_molar": 6.320912448309696,
"formula_full": "Li4 Ti3 Mn2 Fe3 O16",
"formula_reduced": "Li4Ti3Mn2Fe3O16",
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"updated_at": "2021-11-28T01:34:38.298000Z",
"spacegroup": 8
},
{
"id": "mp-1095586",
"created_at": "2022-09-04T14:39:08.412457Z",
"structure_string": "Li2 Ga2 H8\n1.0\n3.232627 -3.498538 0.000000\n3.232627 3.498538 0.000000\n0.000000 0.000000 6.134912\nLi Ga H\n2 2 8\ndirect\n0.576637 0.423363 0.750000 Li\n0.423363 0.576637 0.250000 Li\n0.179704 0.820296 0.750000 Ga\n0.820296 0.179704 0.250000 Ga\n0.327148 0.672852 0.546899 H\n0.672852 0.327148 0.453101 H\n0.327148 0.672852 0.953101 H\n0.672852 0.327148 0.046899 H\n0.849494 0.748655 0.750000 H\n0.748655 0.849494 0.250000 H\n0.150506 0.251345 0.250000 H\n0.251345 0.150506 0.750000 H\n",
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],
"chemical_system": "Ga-H-Li",
"density": 1.9312979730079598,
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"volume": 138.76518679329172,
"volume_molar": 6.963862395474131,
"formula_full": "Li2 Ga2 H8",
"formula_reduced": "LiGaH4",
"formula_anonymous": "ABC4",
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},
{
"id": "mp-532656",
"created_at": "2022-09-04T14:39:06.162797Z",
"structure_string": "K8 Fe4 Sn4 P12 O48\n1.0\n10.094794 0.000000 0.000000\n0.000000 10.094794 0.000000\n0.000000 0.000000 10.094794\nK Fe Sn P O\n8 4 4 12 48\ndirect\n0.062847 0.437153 0.562847 K\n0.201878 0.798122 0.298122 K\n0.298122 0.201878 0.798122 K\n0.437153 0.562847 0.062847 K\n0.562847 0.062847 0.437153 K\n0.701878 0.701878 0.701878 K\n0.798122 0.298122 0.201878 K\n0.937153 0.937153 0.937153 K\n0.146600 0.146600 0.146600 Fe\n0.353400 0.853400 0.646600 Fe\n0.646600 0.353400 0.853400 Fe\n0.853400 0.646600 0.353400 Fe\n0.086138 0.586138 0.913862 Sn\n0.413862 0.413862 0.413862 Sn\n0.586138 0.913862 0.086138 Sn\n0.913862 0.086138 0.586138 Sn\n0.040501 0.770893 0.624231 P\n0.124231 0.459499 0.229107 P\n0.229107 0.124231 0.459499 P\n0.270893 0.875769 0.959499 P\n0.375769 0.540501 0.729107 P\n0.459499 0.229107 0.124231 P\n0.540501 0.729107 0.375769 P\n0.624231 0.040501 0.770893 P\n0.729107 0.375769 0.540501 P\n0.770893 0.624231 0.040501 P\n0.875769 0.959499 0.270893 P\n0.959499 0.270893 0.875769 P\n0.998039 0.416758 0.843693 O\n0.012571 0.692551 0.755269 O\n0.018972 0.549205 0.291965 O\n0.049205 0.208035 0.981028 O\n0.081862 0.313443 0.238566 O\n0.083242 0.156307 0.498039 O\n0.156307 0.498039 0.083242 O\n0.186557 0.761434 0.581862 O\n0.192551 0.744731 0.987429 O\n0.208035 0.981028 0.049205 O\n0.238566 0.081862 0.313443 O\n0.244731 0.512571 0.807449 O\n0.255269 0.487429 0.307449 O\n0.261434 0.918138 0.813443 O\n0.291965 0.018972 0.549205 O\n0.307449 0.255269 0.487429 O\n0.313443 0.238566 0.081862 O\n0.343693 0.501961 0.583242 O\n0.416758 0.843693 0.998039 O\n0.418138 0.686557 0.738566 O\n0.450795 0.791965 0.481028 O\n0.481028 0.450795 0.791965 O\n0.487429 0.307449 0.255269 O\n0.501961 0.583242 0.343693 O\n0.498039 0.083242 0.156307 O\n0.512571 0.807449 0.244731 O\n0.518972 0.950795 0.708035 O\n0.549205 0.291965 0.018972 O\n0.581862 0.186557 0.761434 O\n0.583242 0.343693 0.501961 O\n0.656307 0.001961 0.916758 O\n0.686557 0.738566 0.418138 O\n0.692551 0.755269 0.012571 O\n0.708035 0.518972 0.950795 O\n0.738566 0.418138 0.686557 O\n0.744731 0.987429 0.192551 O\n0.755269 0.012571 0.692551 O\n0.761434 0.581862 0.186557 O\n0.791965 0.481028 0.450795 O\n0.807449 0.244731 0.512571 O\n0.813443 0.261434 0.918138 O\n0.843693 0.998039 0.416758 O\n0.916758 0.656307 0.001961 O\n0.918138 0.813443 0.261434 O\n0.950795 0.708035 0.518972 O\n0.981028 0.049205 0.208035 O\n0.987429 0.192551 0.744731 O\n0.001961 0.916758 0.656307 O\n",
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"volume_molar": 8.151352847576732,
"formula_full": "K8 Fe4 Sn4 P12 O48",
"formula_reduced": "K2FeSn(PO4)3",
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"updated_at": "2021-11-28T01:34:25.949000Z",
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}
]
}