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{
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"results": [
{
"id": "mp-1233811",
"created_at": "2022-09-04T14:42:20.650636Z",
"structure_string": "Hf8 Mg1 N8 O4\n1.0\n5.462091 -0.013797 0.220091\n2.745976 -4.708991 0.417131\n2.315764 2.173592 -10.315655\nHf Mg N O\n8 1 8 4\ndirect\n0.135113 0.376392 0.283549 Hf\n0.151441 0.994842 0.753053 Hf\n0.363447 0.166626 0.990209 Hf\n0.631046 0.221802 0.537526 Hf\n0.354424 0.825464 0.458367 Hf\n0.816351 0.027923 0.236786 Hf\n0.657876 0.522067 0.018636 Hf\n0.844521 0.644379 0.718990 Hf\n0.058404 0.765369 0.961841 Mg\n0.451530 0.096353 0.375770 N\n0.550245 0.273061 0.132673 N\n0.246382 0.615511 0.619443 N\n0.752541 0.396489 0.381466 N\n0.451260 0.753144 0.872923 N\n0.949524 0.592295 0.120012 N\n0.961258 0.223060 0.614615 N\n0.772925 0.050951 0.865786 N\n0.250925 0.966489 0.140409 O\n0.061935 0.780640 0.374693 O\n0.069810 0.403906 0.861705 O\n0.573760 0.905524 0.613071 O\n",
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{
"id": "mp-1228342",
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"structure_string": "Ba2 Sc1 O3 F1\n1.0\n-2.090694 2.090694 6.898065\n2.090694 -2.090694 6.898065\n2.090694 2.090694 -6.898065\nBa Sc O F\n2 1 3 1\ndirect\n0.635152 0.635152 0.000000 Ba\n0.361587 0.361587 0.000000 Ba\n0.985519 0.985519 0.000000 Sc\n0.005856 0.505856 0.500000 O\n0.505856 0.005856 0.500000 O\n0.838766 0.838766 0.000000 O\n0.167265 0.167265 0.000000 F\n",
"nsites": 7,
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"density_atomic": 0.058040322985483596,
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"formula_anonymous": "ABC2D3",
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"updated_at": "2021-11-28T01:35:39.759000Z",
"spacegroup": 107
},
{
"id": "mp-1202291",
"created_at": "2022-09-04T14:42:20.683250Z",
"structure_string": "Bi2 B8 H6 O18\n1.0\n4.359309 0.000000 0.000000\n-0.055588 8.707305 0.000000\n-1.268407 -3.961639 9.849994\nBi B H O\n2 8 6 18\ndirect\n0.966788 0.518218 0.905455 Bi\n0.222799 0.146107 0.975448 Bi\n0.960674 0.038975 0.419414 B\n0.088046 0.930997 0.179390 B\n0.832152 0.198230 0.278851 B\n0.100899 0.734930 0.701377 B\n0.378265 0.475727 0.607218 B\n0.214694 0.622539 0.460012 B\n0.636746 0.888320 0.805140 B\n0.554353 0.777810 0.075130 B\n0.650516 0.286675 0.556623 H\n0.571040 0.391832 0.332869 H\n0.006012 0.923173 0.550453 H\n0.133646 0.728433 0.324070 H\n0.903375 0.430482 0.138808 H\n0.251844 0.219278 0.737371 H\n0.991472 0.095507 0.180519 O\n0.207447 0.573768 0.702986 O\n0.078764 0.920888 0.314430 O\n0.875751 0.795894 0.077054 O\n0.399350 0.913295 0.142284 O\n0.836811 0.180264 0.403566 O\n0.543465 0.354353 0.633152 O\n0.674834 0.322937 0.255186 O\n0.092789 0.739953 0.563984 O\n0.371732 0.492364 0.481822 O\n0.313892 0.873659 0.798829 O\n0.792622 0.751613 0.741789 O\n0.951134 0.031196 0.543640 O\n0.194715 0.622258 0.331928 O\n0.437157 0.620342 0.998913 O\n0.755618 0.044947 0.882489 O\n0.957205 0.383749 0.046048 O\n0.234712 0.278628 0.833652 O\n",
"nsites": 34,
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"elements": [
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],
"chemical_system": "B-Bi-H-O",
"density": 3.5463274228310486,
"density_atomic": 0.09093719200465228,
"volume": 373.8844278176149,
"volume_molar": 6.622307800852167,
"formula_full": "Bi2 B8 H6 O18",
"formula_reduced": "BiB4(HO3)3",
"formula_anonymous": "AB3C4D9",
"energy": -248.09657707,
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"spacegroup": 1
},
{
"id": "mp-1225693",
"created_at": "2022-09-04T14:42:20.686063Z",
"structure_string": "Dy1 Mn2 Si1 Ge1\n1.0\n-1.958953 1.958953 5.281966\n1.958953 -1.958953 5.281966\n1.958953 1.958953 -5.281966\nDy Mn Si Ge\n1 2 1 1\ndirect\n0.997529 0.997529 0.000000 Dy\n0.754032 0.254032 0.500000 Mn\n0.254032 0.754032 0.500000 Mn\n0.377665 0.377665 0.000000 Si\n0.616742 0.616742 0.000000 Ge\n",
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],
"chemical_system": "Dy-Ge-Mn-Si",
"density": 7.641393628689351,
"density_atomic": 0.06166892514507527,
"volume": 81.0781116784113,
"volume_molar": 9.765276021647855,
"formula_full": "Dy1 Mn2 Si1 Ge1",
"formula_reduced": "DyMn2SiGe",
"formula_anonymous": "ABCD2",
"energy": -35.77343436,
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"updated_at": "2021-11-28T01:35:44.248000Z",
"spacegroup": 107
},
{
"id": "mp-1246827",
"created_at": "2022-09-04T14:42:20.724787Z",
"structure_string": "Sr14 Te2 N12\n1.0\n0.000000 -6.913270 0.000000\n-6.334439 -3.456635 -6.750858\n6.334439 -3.456635 -6.750858\nSr Te N\n14 2 12\ndirect\n0.283626 0.949827 0.050173 Sr\n0.716374 0.050173 0.949827 Sr\n0.216374 0.449827 0.550173 Sr\n0.783626 0.550173 0.449827 Sr\n0.764692 0.153817 0.586449 Sr\n0.495041 0.586449 0.153817 Sr\n0.735308 0.913551 0.346183 Sr\n0.004959 0.346183 0.913551 Sr\n0.235308 0.846183 0.413551 Sr\n0.504959 0.413551 0.846183 Sr\n0.264692 0.086449 0.653817 Sr\n0.995041 0.653817 0.086449 Sr\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Sr\n0.750000 0.250000 0.250000 Te\n0.250000 0.750000 0.750000 Te\n0.017657 0.070212 0.301685 N\n0.610446 0.301685 0.070212 N\n0.482343 0.198315 0.429788 N\n0.889554 0.429788 0.198315 N\n0.982343 0.929788 0.698315 N\n0.389554 0.698315 0.929788 N\n0.517657 0.801685 0.570212 N\n0.110446 0.570212 0.801685 N\n0.885539 0.351890 0.648110 N\n0.114461 0.648110 0.351890 N\n0.614461 0.851890 0.148110 N\n0.385539 0.148110 0.851890 N\n",
"nsites": 28,
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"elements": [
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],
"chemical_system": "N-Sr-Te",
"density": 4.633850015734034,
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"volume": 591.2629224597281,
"volume_molar": 12.716673375790887,
"formula_full": "Sr14 Te2 N12",
"formula_reduced": "Sr7TeN6",
"formula_anonymous": "AB6C7",
"energy": -144.16182448,
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"updated_at": "2021-11-28T01:35:46.219000Z",
"spacegroup": 72
},
{
"id": "mp-1120768",
"created_at": "2022-09-04T14:42:20.735745Z",
"structure_string": "Cs4 Pb4 I12\n1.0\n8.853381 0.000000 0.000000\n0.000000 8.930536 0.000000\n0.000000 0.000000 12.757759\nCs Pb I\n4 4 12\ndirect\n0.992422 0.965438 0.250000 Cs\n0.007578 0.034562 0.750000 Cs\n0.492422 0.534562 0.750000 Cs\n0.507578 0.465438 0.250000 Cs\n0.500000 0.000000 0.000000 Pb\n0.000000 0.500000 0.000000 Pb\n0.500000 0.000000 0.500000 Pb\n0.000000 0.500000 0.500000 Pb\n0.051479 0.507141 0.250000 I\n0.948521 0.492859 0.750000 I\n0.551479 0.992859 0.750000 I\n0.448521 0.007141 0.250000 I\n0.796624 0.203924 0.025925 I\n0.203376 0.796076 0.974075 I\n0.296624 0.296076 0.974075 I\n0.703376 0.703924 0.025925 I\n0.203376 0.796076 0.525925 I\n0.796624 0.203924 0.474075 I\n0.703376 0.703924 0.474075 I\n0.296624 0.296076 0.525925 I\n",
"nsites": 20,
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],
"chemical_system": "Cs-I-Pb",
"density": 4.74650734914947,
"density_atomic": 0.019827543988989116,
"volume": 1008.6977999446959,
"volume_molar": 30.372600677846396,
"formula_full": "Cs4 Pb4 I12",
"formula_reduced": "CsPbI3",
"formula_anonymous": "ABC3",
"energy": -61.71871850000001,
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"spacegroup": 62
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{
"id": "mp-1041794",
"created_at": "2022-09-04T14:42:20.652716Z",
"structure_string": "Mg4 Sn8 O16\n1.0\n6.151294 0.000000 0.000000\n0.000000 6.988357 0.000000\n0.000000 0.000000 11.199085\nMg Sn O\n4 8 16\ndirect\n0.500000 0.427689 0.000000 Mg\n0.000000 0.572311 0.500000 Mg\n0.500000 0.742773 0.500000 Mg\n0.000000 0.257227 0.000000 Mg\n0.000000 0.902486 0.297696 Sn\n0.000000 0.902486 0.702304 Sn\n0.500000 0.097514 0.202304 Sn\n0.500000 0.097514 0.797696 Sn\n0.250000 0.500000 0.250000 Sn\n0.750000 0.500000 0.750000 Sn\n0.750000 0.500000 0.250000 Sn\n0.250000 0.500000 0.750000 Sn\n0.000000 0.388584 0.353357 O\n0.000000 0.388584 0.646643 O\n0.500000 0.611416 0.146643 O\n0.500000 0.611416 0.853357 O\n0.000000 0.665433 0.170638 O\n0.000000 0.665433 0.829362 O\n0.500000 0.334567 0.329362 O\n0.500000 0.334567 0.670638 O\n0.253866 0.278330 0.118571 O\n0.746134 0.278330 0.881429 O\n0.753866 0.721670 0.381429 O\n0.246134 0.721670 0.618571 O\n0.246134 0.721670 0.381429 O\n0.753866 0.721670 0.618571 O\n0.746134 0.278330 0.118571 O\n0.253866 0.278330 0.881429 O\n",
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"formula_full": "Mg4 Sn8 O16",
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"formula_anonymous": "AB2C4",
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"spacegroup": 59
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{
"id": "mp-753935",
"created_at": "2022-09-04T14:42:20.655300Z",
"structure_string": "Li2 Ni2 Sn2 O8\n1.0\n3.083199 -3.015911 -4.276402\n3.013966 2.897544 4.217274\n2.892043 -3.199629 4.276367\nLi Ni Sn O\n2 2 2 8\ndirect\n0.000000 0.500000 0.000000 Li\n0.500000 0.000000 0.500000 Li\n0.000000 0.999999 0.500000 Ni\n0.000000 0.500000 0.500000 Ni\n0.000000 0.000000 0.000000 Sn\n0.500000 0.500000 0.500000 Sn\n0.247573 0.012542 0.743565 O\n0.208867 0.451915 0.302907 O\n0.243564 0.487458 0.747574 O\n0.197094 0.951914 0.291134 O\n0.802906 0.048086 0.708866 O\n0.756436 0.512542 0.252426 O\n0.791133 0.548085 0.697093 O\n0.752427 0.987458 0.256435 O\n",
"nsites": 14,
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"density": 5.188144010733758,
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"volume": 158.97075795290198,
"volume_molar": 6.838173436544751,
"formula_full": "Li2 Ni2 Sn2 O8",
"formula_reduced": "LiNiSnO4",
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"energy": -86.62214095,
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"spacegroup": 74
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{
"id": "mp-1246169",
"created_at": "2022-09-04T14:42:20.658108Z",
"structure_string": "Ca6 Ni4 N8\n1.0\n6.692710 -0.061185 -0.042810\n-5.143152 6.572327 0.000000\n-0.123290 -0.096480 5.414124\nCa Ni N\n6 4 8\ndirect\n0.244878 0.989302 0.049029 Ca\n0.755122 0.744425 0.450971 Ca\n0.755122 0.010698 0.950971 Ca\n0.244878 0.255575 0.549029 Ca\n0.000000 0.596070 0.750000 Ca\n0.000000 0.403930 0.250000 Ca\n0.587376 0.164862 0.587627 Ni\n0.412624 0.577486 0.912373 Ni\n0.412624 0.835138 0.412373 Ni\n0.587376 0.422514 0.087627 Ni\n0.232738 0.941534 0.520626 N\n0.767262 0.708796 0.979374 N\n0.767262 0.058466 0.479374 N\n0.232738 0.291204 0.020626 N\n0.672259 0.265550 0.919083 N\n0.327741 0.593291 0.580917 N\n0.327741 0.734450 0.080917 N\n0.672259 0.406709 0.419083 N\n",
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"density": 4.125504506719344,
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"volume": 236.3896637704011,
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{
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{
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{
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}