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{
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{
"id": "mp-1022611",
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"structure_string": "Mg12 Zn2 Sn2\n1.0\n5.066990 0.000000 0.000000\n0.000000 6.276454 0.000000\n0.000000 0.000000 11.130103\nMg Zn Sn\n12 2 2\ndirect\n0.000000 0.247327 0.081960 Mg\n0.000000 0.752673 0.081960 Mg\n0.000000 0.000000 0.331167 Mg\n0.500000 0.743401 0.410743 Mg\n0.500000 0.256599 0.410743 Mg\n0.500000 0.000000 0.166021 Mg\n0.000000 0.747327 0.581960 Mg\n0.000000 0.252673 0.581960 Mg\n0.000000 0.500000 0.831167 Mg\n0.500000 0.243401 0.910743 Mg\n0.500000 0.756599 0.910743 Mg\n0.500000 0.500000 0.666021 Mg\n0.000000 0.500000 0.354082 Zn\n0.000000 0.000000 0.854082 Zn\n0.500000 0.500000 0.163323 Sn\n0.500000 0.000000 0.663323 Sn\n",
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{
"id": "mp-1096809",
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"structure_string": "Al8 Zn4 S16\n1.0\n5.910544 0.000000 0.000000\n0.000000 7.221810 0.000000\n0.000000 0.000000 12.474986\nAl Zn S\n8 4 16\ndirect\n0.589489 0.750000 0.085331 Al\n0.910511 0.750000 0.585331 Al\n0.410511 0.250000 0.914669 Al\n0.089489 0.250000 0.414669 Al\n0.000000 0.500000 0.000000 Al\n0.500000 0.000000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Al\n0.003717 0.750000 0.266149 Zn\n0.496283 0.750000 0.766149 Zn\n0.996283 0.250000 0.733851 Zn\n0.503717 0.250000 0.233851 Zn\n0.208868 0.750000 0.086059 S\n0.291132 0.750000 0.586059 S\n0.791132 0.250000 0.913941 S\n0.708868 0.250000 0.413941 S\n0.731874 0.750000 0.424148 S\n0.768126 0.750000 0.924148 S\n0.268126 0.250000 0.575852 S\n0.231874 0.250000 0.075852 S\n0.759904 0.503203 0.159981 S\n0.740096 0.996797 0.659981 S\n0.240096 0.003203 0.840019 S\n0.259904 0.496797 0.340019 S\n0.240096 0.496797 0.840019 S\n0.259904 0.003203 0.340019 S\n0.759904 0.996797 0.159981 S\n0.740096 0.503203 0.659981 S\n",
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"elements": [
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"Zn",
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],
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"formula_full": "Al8 Zn4 S16",
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},
{
"id": "mp-1223479",
"created_at": "2022-09-04T14:44:08.286632Z",
"structure_string": "Li24 I10 N5\n1.0\n0.000000 0.000000 -9.407812\n9.407812 0.000000 0.000000\n4.703906 -9.475227 -4.703906\nLi I N\n24 10 5\ndirect\n0.646676 0.929588 0.042562 Li\n0.980703 0.708829 0.513309 Li\n0.244013 0.541171 0.986691 Li\n0.439238 0.320412 0.457438 Li\n0.577209 0.077209 0.807534 Li\n0.951269 0.759841 0.288890 Li\n0.115258 0.615258 0.807534 Li\n0.259841 0.451269 0.288890 Li\n0.429588 0.146676 0.042562 Li\n0.820412 0.939238 0.457438 Li\n0.041171 0.744013 0.986691 Li\n0.208829 0.480703 0.513309 Li\n0.269297 0.972138 0.986691 Li\n0.603324 0.722150 0.457438 Li\n0.810762 0.527850 0.042562 Li\n0.005987 0.277862 0.513309 Li\n0.298731 0.798731 0.211110 Li\n0.672791 0.634742 0.692466 Li\n0.990159 0.490159 0.211110 Li\n0.134742 0.172791 0.692466 Li\n0.472138 0.769297 0.986691 Li\n0.777862 0.505987 0.513309 Li\n0.027850 0.310762 0.042562 Li\n0.222150 0.103324 0.457438 Li\n0.625000 0.625000 0.250000 I\n0.885455 0.385455 0.729090 I\n0.125000 0.125000 0.250000 I\n0.364545 0.864545 0.770910 I\n0.375000 0.375000 0.750000 I\n0.875000 0.875000 0.750000 I\n0.959803 0.022311 0.017886 I\n0.290197 0.790197 0.482114 I\n0.522311 0.459803 0.017886 I\n0.727689 0.227689 0.482114 I\n0.459500 0.959500 0.014421 N\n0.790500 0.723921 0.485579 N\n0.026079 0.526079 0.014421 N\n0.223921 0.290500 0.485579 N\n0.125000 0.625000 0.250000 N\n",
"nsites": 39,
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"elements": [
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"chemical_system": "I-Li-N",
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"formula_full": "Li24 I10 N5",
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"formula_anonymous": "A5B10C24",
"energy": -136.63791178,
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},
{
"id": "mp-1184164",
"created_at": "2022-09-04T14:44:08.292241Z",
"structure_string": "Er1 Ga1 O3\n1.0\n3.818299 0.000000 0.000000\n0.000000 3.818299 0.000000\n0.000000 0.000000 3.818299\nEr Ga O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Er\n0.500000 0.500000 0.500000 Ga\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
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"elements": [
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"Ga",
"O"
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"density": 8.500686171255348,
"density_atomic": 0.08981734291992242,
"volume": 55.66853613625379,
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"formula_full": "Er1 Ga1 O3",
"formula_reduced": "ErGaO3",
"formula_anonymous": "ABC3",
"energy": -36.51778144,
"energy_per_atom": -7.303556288,
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"updated_at": "2021-11-28T01:36:31.764000Z",
"spacegroup": 221
},
{
"id": "mp-1183669",
"created_at": "2022-09-04T14:44:08.295052Z",
"structure_string": "Cd1 In1\n1.0\n1.658750 -2.873040 0.000000\n1.658750 2.873040 0.000000\n0.000000 0.000000 5.460557\nCd In\n1 1\ndirect\n0.000000 0.000000 0.500000 Cd\n0.666667 0.333333 0.000000 In\n",
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"density": 7.249754593023246,
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"updated_at": "2021-11-28T01:36:32.315000Z",
"spacegroup": 187
},
{
"id": "mp-1177570",
"created_at": "2022-09-04T14:44:08.302604Z",
"structure_string": "Li12 V8 P12 O48\n1.0\n4.426370 8.034617 0.000000\n-4.426370 8.034617 0.000000\n0.000000 7.994238 14.524190\nLi V P O\n12 8 12 48\ndirect\n0.471372 0.759284 0.850434 Li\n0.086982 0.247033 0.444773 Li\n0.631562 0.368438 0.750000 Li\n0.752967 0.913018 0.055227 Li\n0.240716 0.528628 0.649566 Li\n0.000000 0.500000 0.000000 Li\n0.759284 0.471372 0.350434 Li\n0.247033 0.086982 0.944773 Li\n0.368438 0.631562 0.250000 Li\n0.913018 0.752967 0.555227 Li\n0.528628 0.240716 0.149566 Li\n0.500000 0.000000 0.500000 Li\n0.209278 0.709801 0.032694 V\n0.844428 0.804014 0.336963 V\n0.195986 0.155572 0.163037 V\n0.290199 0.790722 0.467306 V\n0.709801 0.209278 0.532694 V\n0.804014 0.844428 0.836963 V\n0.155572 0.195986 0.663037 V\n0.790722 0.290199 0.967306 V\n0.027767 0.962199 0.873377 P\n0.026017 0.562052 0.189458 P\n0.657734 0.597356 0.529419 P\n0.402644 0.342266 0.970581 P\n0.437948 0.973983 0.310542 P\n0.037801 0.972233 0.626623 P\n0.962199 0.027767 0.373377 P\n0.562052 0.026017 0.689458 P\n0.597356 0.657734 0.029419 P\n0.342266 0.402644 0.470581 P\n0.973983 0.437948 0.810542 P\n0.972233 0.037801 0.126623 P\n0.599766 0.914116 0.786431 O\n0.716471 0.946618 0.608882 O\n0.810734 0.999189 0.373548 O\n0.133920 0.945467 0.052231 O\n0.463767 0.691543 0.981648 O\n0.979785 0.891076 0.217025 O\n0.207030 0.874072 0.898341 O\n0.219430 0.547210 0.161381 O\n0.802306 0.673255 0.470507 O\n0.610049 0.972068 0.304623 O\n0.665994 0.516050 0.628998 O\n0.914116 0.599766 0.286431 O\n0.236379 0.523522 0.984811 O\n0.946618 0.716471 0.108882 O\n0.476478 0.763621 0.515189 O\n0.999189 0.810734 0.873548 O\n0.483950 0.334006 0.871002 O\n0.945467 0.133920 0.552231 O\n0.027932 0.389951 0.195377 O\n0.691543 0.463767 0.481648 O\n0.891076 0.979785 0.717025 O\n0.326745 0.197694 0.029493 O\n0.125928 0.792970 0.601659 O\n0.452790 0.780570 0.338619 O\n0.547210 0.219430 0.661381 O\n0.874072 0.207030 0.398341 O\n0.673255 0.802306 0.970507 O\n0.108924 0.020215 0.282975 O\n0.308457 0.536233 0.518352 O\n0.972068 0.610049 0.804623 O\n0.054533 0.866080 0.447769 O\n0.516050 0.665994 0.128998 O\n0.000811 0.189266 0.126452 O\n0.523522 0.236379 0.484811 O\n0.053382 0.283529 0.891118 O\n0.763621 0.476478 0.015189 O\n0.085884 0.400234 0.713569 O\n0.334006 0.483950 0.371002 O\n0.389951 0.027932 0.695377 O\n0.197694 0.326745 0.529493 O\n0.780570 0.452790 0.838619 O\n0.792970 0.125928 0.101659 O\n0.020215 0.108924 0.782975 O\n0.536233 0.308457 0.018352 O\n0.866080 0.054533 0.947769 O\n0.189266 0.000811 0.626452 O\n0.283529 0.053382 0.391118 O\n0.400234 0.085884 0.213569 O\n",
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"density_atomic": 0.07743818701215469,
"volume": 1033.0820372569312,
"volume_molar": 7.776706806236005,
"formula_full": "Li12 V8 P12 O48",
"formula_reduced": "Li3V2(PO4)3",
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{
"id": "mp-1039032",
"created_at": "2022-09-04T14:44:08.307232Z",
"structure_string": "Ca1 Zn3\n1.0\n0.000000 3.356146 3.356146\n3.356146 0.000000 3.356146\n3.356146 3.356146 0.000000\nCa Zn\n1 3\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Zn\n0.250000 0.250000 0.250000 Zn\n0.750000 0.750000 0.750000 Zn\n",
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"volume": 75.6053506179612,
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"formula_full": "Ca1 Zn3",
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{
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{
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"structure_string": "Na2 Li1 Dy1 Cl6\n1.0\n0.000000 5.136254 5.136254\n5.136254 0.000000 5.136254\n5.136254 5.136254 0.000000\nNa Li Dy Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Dy\n0.745645 0.254355 0.254355 Cl\n0.254355 0.254355 0.745645 Cl\n0.254355 0.745645 0.745645 Cl\n0.254355 0.745645 0.254355 Cl\n0.745645 0.254355 0.745645 Cl\n0.745645 0.745645 0.254355 Cl\n",
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{
"id": "mp-1184687",
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{
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{
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}
]
}