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{
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"results": [
{
"id": "mp-1174610",
"created_at": "2022-09-04T14:44:29.540237Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n5.922859 0.000000 0.000000\n-1.542598 6.362889 0.000000\n-2.867900 -2.657787 6.647553\nLi Mn Co O\n8 2 4 14\ndirect\n0.060987 0.561275 0.846636 Li\n0.635795 0.146070 0.719639 Li\n0.221998 0.713531 0.577797 Li\n0.794564 0.292870 0.428040 Li\n0.363044 0.855701 0.287761 Li\n0.916553 0.430162 0.130814 Li\n0.491392 0.991162 0.995671 Li\n0.564975 0.574031 0.856891 Li\n0.990384 0.998026 0.997085 Mn\n0.862466 0.850965 0.286158 Mn\n0.153449 0.157161 0.723699 Co\n0.715494 0.709592 0.576885 Co\n0.296546 0.297662 0.442338 Co\n0.426886 0.429743 0.140357 Co\n0.966915 0.740828 0.081707 O\n0.502837 0.284377 0.928393 O\n0.088913 0.862660 0.798319 O\n0.664103 0.427116 0.623010 O\n0.232676 0.003752 0.495186 O\n0.836774 0.592173 0.358398 O\n0.361609 0.152475 0.197033 O\n0.174478 0.416496 0.631567 O\n0.775400 0.985142 0.497678 O\n0.347137 0.563454 0.352582 O\n0.901858 0.122787 0.212070 O\n0.498420 0.710505 0.095585 O\n0.021275 0.267191 0.925847 O\n0.633069 0.863089 0.792855 O\n",
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"O"
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"formula_full": "Li8 Mn2 Co4 O14",
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},
{
"id": "mp-1200513",
"created_at": "2022-09-04T14:44:29.540536Z",
"structure_string": "Ba2 Cu4 Ge6 H4 O20\n1.0\n5.647739 0.000000 0.000000\n-2.823869 5.620374 0.000000\n0.000000 0.000000 13.831746\nBa Cu Ge H O\n2 4 6 4 20\ndirect\n0.338907 0.677814 0.750000 Ba\n0.661093 0.322186 0.250000 Ba\n0.000000 0.500000 0.000000 Cu\n0.500000 0.500000 0.000000 Cu\n0.000000 0.500000 0.500000 Cu\n0.500000 0.500000 0.500000 Cu\n0.030191 0.060382 0.877240 Ge\n0.969809 0.939618 0.122760 Ge\n0.030191 0.060382 0.622760 Ge\n0.969809 0.939618 0.377240 Ge\n0.500000 0.000000 0.000000 Ge\n0.500000 0.000000 0.500000 Ge\n0.304445 0.608890 0.190665 H\n0.695555 0.391110 0.809335 H\n0.304445 0.608890 0.309335 H\n0.695555 0.391110 0.690665 H\n0.182821 0.365641 0.911716 O\n0.817179 0.634359 0.088284 O\n0.182821 0.365641 0.588284 O\n0.817179 0.634359 0.411716 O\n0.346445 0.692890 0.054879 O\n0.653555 0.307110 0.945121 O\n0.346445 0.692890 0.445121 O\n0.653555 0.307110 0.554879 O\n0.207810 0.897365 0.906574 O\n0.310445 0.102635 0.093426 O\n0.207810 0.897365 0.593426 O\n0.310445 0.102635 0.406574 O\n0.792190 0.102635 0.093426 O\n0.689555 0.897365 0.906574 O\n0.792190 0.102635 0.406574 O\n0.689555 0.897365 0.593426 O\n0.041068 0.082136 0.750000 O\n0.958932 0.917864 0.250000 O\n0.253797 0.507595 0.250000 O\n0.746203 0.492405 0.750000 O\n",
"nsites": 36,
"nelements": 5,
"elements": [
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"Cu",
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"H",
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],
"chemical_system": "Ba-Cu-Ge-H-O",
"density": 4.873975384734946,
"density_atomic": 0.08199467733695172,
"volume": 439.0528893974468,
"volume_molar": 7.34455083621149,
"formula_full": "Ba2 Cu4 Ge6 H4 O20",
"formula_reduced": "BaCu2Ge3(HO5)2",
"formula_anonymous": "AB2C2D3E10",
"energy": -227.9213787,
"energy_per_atom": -6.331149408333333,
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"updated_at": "2021-11-28T01:36:38.547000Z",
"spacegroup": 63
},
{
"id": "mp-1018059",
"created_at": "2022-09-04T14:44:29.543882Z",
"structure_string": "Ga2 Sb2\n1.0\n2.191967 -3.796599 0.000000\n2.191967 3.796599 0.000000\n0.000000 0.000000 7.207018\nGa Sb\n2 2\ndirect\n0.666667 0.333333 0.500127 Ga\n0.333333 0.666667 0.000127 Ga\n0.666667 0.333333 0.874773 Sb\n0.333333 0.666667 0.374773 Sb\n",
"nsites": 4,
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"density": 5.301453703786298,
"density_atomic": 0.03334614607861524,
"volume": 119.95389184014837,
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"formula_full": "Ga2 Sb2",
"formula_reduced": "GaSb",
"formula_anonymous": "AB",
"energy": -15.27347662,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:36:35.415000Z",
"spacegroup": 186
},
{
"id": "mp-1017172",
"created_at": "2022-09-04T14:44:29.545558Z",
"structure_string": "Mg12 Bi2 C2\n1.0\n4.355462 0.000000 0.000000\n0.000000 6.058560 0.000000\n0.000000 0.000000 13.321305\nMg Bi C\n12 2 2\ndirect\n0.000000 0.758474 0.056626 Mg\n0.000000 0.241526 0.056626 Mg\n0.000000 0.000000 0.320206 Mg\n0.500000 0.278780 0.398783 Mg\n0.500000 0.721220 0.398783 Mg\n0.500000 0.000000 0.178304 Mg\n0.000000 0.258474 0.556626 Mg\n0.000000 0.741526 0.556626 Mg\n0.000000 0.500000 0.820206 Mg\n0.500000 0.778780 0.898783 Mg\n0.500000 0.221220 0.898783 Mg\n0.500000 0.500000 0.678304 Mg\n0.500000 0.500000 0.162240 Bi\n0.500000 0.000000 0.662240 Bi\n0.000000 0.500000 0.428432 C\n0.000000 0.000000 0.928432 C\n",
"nsites": 16,
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"elements": [
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"Bi",
"C"
],
"chemical_system": "Bi-C-Mg",
"density": 3.465636332022665,
"density_atomic": 0.045516574311833216,
"volume": 351.52030314022085,
"volume_molar": 13.230654659426751,
"formula_full": "Mg12 Bi2 C2",
"formula_reduced": "Mg6BiC",
"formula_anonymous": "ABC6",
"energy": -39.65828947,
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"updated_at": "2021-11-28T01:36:45.092000Z",
"spacegroup": 38
},
{
"id": "mp-3160",
"created_at": "2022-09-04T14:44:29.547106Z",
"structure_string": "Pr16 Si16 O56\n1.0\n6.858162 0.000000 0.000000\n0.000000 6.858162 0.000000\n0.000000 0.000000 24.960091\nPr Si O\n16 16 56\ndirect\n0.869253 0.241390 0.633205 Pr\n0.758610 0.869253 0.883205 Pr\n0.241390 0.130747 0.383205 Pr\n0.130747 0.758610 0.133205 Pr\n0.658676 0.083053 0.495161 Pr\n0.916947 0.658676 0.745161 Pr\n0.083053 0.341324 0.245161 Pr\n0.341324 0.916947 0.995161 Pr\n0.477090 0.832697 0.641502 Pr\n0.167303 0.477090 0.891502 Pr\n0.832697 0.522910 0.391502 Pr\n0.522910 0.167303 0.141502 Pr\n0.225496 0.706437 0.494665 Pr\n0.293563 0.225496 0.744665 Pr\n0.706437 0.774504 0.244665 Pr\n0.774504 0.293563 0.994665 Pr\n0.982921 0.713110 0.613983 Si\n0.286890 0.982921 0.863983 Si\n0.713110 0.017079 0.363983 Si\n0.017079 0.286890 0.113983 Si\n0.733012 0.625437 0.513963 Si\n0.374563 0.733012 0.763963 Si\n0.625437 0.266988 0.263963 Si\n0.266988 0.374563 0.013963 Si\n0.396217 0.306741 0.607157 Si\n0.693259 0.396217 0.857157 Si\n0.306741 0.603784 0.357157 Si\n0.603784 0.693259 0.107157 Si\n0.145240 0.240121 0.508667 Si\n0.759879 0.145240 0.758667 Si\n0.240121 0.854760 0.258667 Si\n0.854760 0.759879 0.008667 Si\n0.183591 0.794630 0.588100 O\n0.205370 0.183591 0.838100 O\n0.794630 0.816409 0.338100 O\n0.816409 0.205370 0.088100 O\n0.837621 0.879323 0.638357 O\n0.120677 0.837621 0.888357 O\n0.879323 0.162379 0.388357 O\n0.162379 0.120677 0.138357 O\n0.014858 0.548608 0.660155 O\n0.451392 0.014858 0.910155 O\n0.548608 0.985142 0.410155 O\n0.985142 0.451392 0.160155 O\n0.875475 0.575711 0.566213 O\n0.424289 0.875475 0.816213 O\n0.575711 0.124525 0.316213 O\n0.124525 0.424289 0.066213 O\n0.867461 0.762732 0.473719 O\n0.237268 0.867461 0.723719 O\n0.762732 0.132539 0.223719 O\n0.132539 0.237268 0.973719 O\n0.549593 0.763006 0.532879 O\n0.557450 0.138954 0.588205 O\n0.236994 0.549593 0.782879 O\n0.450407 0.236994 0.032879 O\n0.671175 0.429552 0.482202 O\n0.570448 0.671175 0.732202 O\n0.429552 0.328825 0.232202 O\n0.328825 0.570448 0.982202 O\n0.239784 0.198174 0.647008 O\n0.801826 0.239784 0.897008 O\n0.198174 0.760216 0.397008 O\n0.760216 0.801826 0.147008 O\n0.891103 0.608598 0.958453 O\n0.391402 0.891103 0.208453 O\n0.608598 0.108897 0.708453 O\n0.108897 0.391402 0.458453 O\n0.723660 0.938556 0.983848 O\n0.061444 0.723660 0.233848 O\n0.938556 0.276340 0.733848 O\n0.276340 0.061444 0.483848 O\n0.045475 0.839683 0.040312 O\n0.160317 0.045475 0.290312 O\n0.839683 0.954525 0.790312 O\n0.954525 0.160317 0.540312 O\n0.721396 0.623680 0.050847 O\n0.376320 0.721396 0.300847 O\n0.623680 0.278604 0.800847 O\n0.278604 0.376320 0.550847 O\n0.480290 0.514629 0.131991 O\n0.485371 0.480290 0.381991 O\n0.514629 0.519710 0.881991 O\n0.519710 0.485371 0.631991 O\n0.442550 0.861046 0.088205 O\n0.138954 0.442550 0.338205 O\n0.861046 0.557450 0.838205 O\n0.763006 0.450407 0.282879 O\n",
"nsites": 88,
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"elements": [
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],
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"density_atomic": 0.07495852439576384,
"volume": 1173.9825551444978,
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"formula_full": "Pr16 Si16 O56",
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"updated_at": "2021-11-28T01:36:46.127000Z",
"spacegroup": 76
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{
"id": "mp-1070264",
"created_at": "2022-09-04T14:44:29.558827Z",
"structure_string": "La2 Ni2 I1\n1.0\n2.081287 -3.604895 0.000000\n2.081287 3.604895 0.000000\n0.000000 0.000000 8.917933\nLa Ni I\n2 2 1\ndirect\n0.000000 0.000000 0.210485 La\n0.000000 0.000000 0.789515 La\n0.333333 0.666667 0.000000 Ni\n0.666667 0.333333 0.000000 Ni\n0.666667 0.333333 0.500000 I\n",
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{
"id": "mp-1191575",
"created_at": "2022-09-04T14:44:29.565059Z",
"structure_string": "K4 Cr4 O14\n1.0\n3.545225 7.222098 0.000000\n-3.545225 7.222098 0.000000\n0.000000 0.482762 8.358416\nK Cr O\n4 4 14\ndirect\n0.352791 0.352791 0.688770 K\n0.647209 0.647209 0.311230 K\n0.350523 0.350523 0.219466 K\n0.649477 0.649477 0.780534 K\n0.865046 0.865046 0.007083 Cr\n0.134954 0.134954 0.992917 Cr\n0.890178 0.890178 0.581424 Cr\n0.109822 0.109822 0.418576 Cr\n0.095884 0.720691 0.087339 O\n0.279309 0.904116 0.912661 O\n0.904116 0.279309 0.912661 O\n0.720691 0.095884 0.087339 O\n0.892817 0.892817 0.798063 O\n0.107183 0.107183 0.201937 O\n0.163794 0.737190 0.486332 O\n0.262810 0.836206 0.513668 O\n0.836206 0.262810 0.513668 O\n0.737190 0.163794 0.486332 O\n0.751131 0.751131 0.042564 O\n0.248869 0.248869 0.957436 O\n0.778965 0.778965 0.531078 O\n0.221035 0.221035 0.468922 O\n",
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{
"id": "mp-1225345",
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{
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"structure_string": "Fe2 Ag2 Sb2 S8 N12\n1.0\n0.000000 0.000000 8.629120\n7.296513 0.000000 0.000000\n0.000000 7.296513 0.000000\nFe Ag Sb S N\n2 2 2 8 12\ndirect\n0.250000 0.000000 0.500000 Fe\n0.750000 0.500000 0.000000 Fe\n0.000000 0.500000 0.500000 Ag\n0.500000 0.000000 0.000000 Ag\n0.500000 0.500000 0.500000 Sb\n0.000000 0.000000 0.000000 Sb\n0.246226 0.404554 0.707274 S\n0.746226 0.095446 0.207274 S\n0.753774 0.292726 0.404554 S\n0.253774 0.207274 0.904554 S\n0.246226 0.595446 0.292726 S\n0.746226 0.904554 0.792726 S\n0.753774 0.707274 0.595446 S\n0.253774 0.792726 0.095446 S\n0.008758 0.945620 0.443662 N\n0.508758 0.554380 0.943662 N\n0.991242 0.556338 0.945620 N\n0.491242 0.943662 0.445620 N\n0.008758 0.054380 0.556338 N\n0.508758 0.445620 0.056338 N\n0.991242 0.443662 0.054380 N\n0.491242 0.056338 0.554380 N\n0.250000 0.837603 0.662397 N\n0.750000 0.662397 0.162397 N\n0.750000 0.337603 0.837603 N\n0.250000 0.162397 0.337603 N\n",
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