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{
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{
"id": "mp-1207766",
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"updated_at": "2021-11-28T01:37:50.551000Z",
"spacegroup": 14
},
{
"id": "mp-7024",
"created_at": "2022-09-04T14:46:57.099790Z",
"structure_string": "Tb8 C12\n1.0\n-4.144323 4.144323 4.144323\n4.144323 -4.144323 4.144323\n4.144323 4.144323 -4.144323\nTb C\n8 12\ndirect\n0.500000 0.000000 0.601388 Tb\n0.101388 0.500000 0.000000 Tb\n0.398612 0.398612 0.398612 Tb\n0.000000 0.101388 0.500000 Tb\n0.898612 0.898612 0.898612 Tb\n0.000000 0.601388 0.500000 Tb\n0.601388 0.500000 0.000000 Tb\n0.500000 0.000000 0.101388 Tb\n0.794288 0.250000 0.044288 C\n0.955712 0.250000 0.205712 C\n0.750000 0.294288 0.544288 C\n0.205712 0.955712 0.250000 C\n0.250000 0.205712 0.955712 C\n0.294288 0.544288 0.750000 C\n0.705712 0.750000 0.455712 C\n0.044288 0.794288 0.250000 C\n0.544288 0.750000 0.294288 C\n0.750000 0.455712 0.705712 C\n0.250000 0.044288 0.794288 C\n0.455712 0.705712 0.750000 C\n",
"nsites": 20,
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"elements": [
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"volume": 284.72183864894333,
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"formula_full": "Tb8 C12",
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"spacegroup": 220
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{
"id": "mp-1211459",
"created_at": "2022-09-04T14:46:55.728655Z",
"structure_string": "K4 Li4 Er4 F20\n1.0\n-5.933924 0.000000 2.542986\n0.084753 0.000000 -6.308375\n0.000000 -11.812392 0.000000\nK Li Er F\n4 4 4 20\ndirect\n0.946855 0.962604 0.350005 K\n0.053145 0.037396 0.649995 K\n0.053145 0.537396 0.850005 K\n0.946855 0.462604 0.149995 K\n0.557994 0.961852 0.745729 Li\n0.442006 0.038148 0.254271 Li\n0.442006 0.538148 0.245729 Li\n0.557994 0.461852 0.754271 Li\n0.681426 0.819710 0.997892 Er\n0.318574 0.180290 0.002108 Er\n0.318574 0.680290 0.497892 Er\n0.681426 0.319710 0.502108 Er\n0.721182 0.777762 0.807124 F\n0.278818 0.222238 0.192876 F\n0.278818 0.722238 0.307124 F\n0.721182 0.277762 0.692876 F\n0.664419 0.953030 0.531107 F\n0.335581 0.046970 0.468893 F\n0.335581 0.546970 0.031107 F\n0.664419 0.453030 0.968893 F\n0.955092 0.671414 0.506748 F\n0.044908 0.328586 0.493252 F\n0.044908 0.828586 0.006748 F\n0.955092 0.171414 0.993252 F\n0.464527 0.966228 0.896160 F\n0.535473 0.033772 0.103840 F\n0.535473 0.533772 0.396160 F\n0.464527 0.466228 0.603840 F\n0.286246 0.776178 0.673090 F\n0.713754 0.223822 0.326910 F\n0.713754 0.723822 0.173090 F\n0.286246 0.276178 0.826910 F\n",
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"elements": [
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"Er",
"F"
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"density_atomic": 0.07278809526241758,
"volume": 439.6323311474595,
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"formula_full": "K4 Li4 Er4 F20",
"formula_reduced": "KLiErF5",
"formula_anonymous": "ABCD5",
"energy": -190.73977598,
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"updated_at": "2021-11-28T01:37:44.931000Z",
"spacegroup": 14
},
{
"id": "mp-1216743",
"created_at": "2022-09-04T14:46:55.733783Z",
"structure_string": "V2 Fe1 Te4\n1.0\n1.989710 6.716129 0.000000\n-1.989710 6.716129 0.000000\n0.000000 3.439412 5.955639\nV Fe Te\n2 1 4\ndirect\n0.998474 0.998474 0.999476 V\n0.254563 0.254563 0.724488 V\n0.746939 0.746939 0.278056 Fe\n0.882870 0.882870 0.450641 Te\n0.117793 0.117793 0.536412 Te\n0.631864 0.631864 0.039962 Te\n0.367497 0.367497 0.970965 Te\n",
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"elements": [
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],
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"density": 6.970141541085212,
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"formula_full": "V2 Fe1 Te4",
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{
"id": "mp-29314",
"created_at": "2022-09-04T14:46:55.734419Z",
"structure_string": "Rb6 V6 Br18\n1.0\n6.536149 -11.320941 0.000000\n6.536149 11.320941 0.000000\n0.000000 0.000000 6.557800\nRb V Br\n6 6 18\ndirect\n0.331976 0.331976 0.263460 Rb\n0.668024 0.668024 0.763460 Rb\n0.000000 0.668024 0.263460 Rb\n0.668024 0.000000 0.263460 Rb\n0.331976 0.000000 0.763460 Rb\n0.000000 0.331976 0.763460 Rb\n0.000000 0.000000 0.998009 V\n0.000000 0.000000 0.498009 V\n0.333333 0.666667 0.053782 V\n0.666667 0.333333 0.553782 V\n0.333333 0.666667 0.553782 V\n0.666667 0.333333 0.053782 V\n0.508132 0.334249 0.804450 Br\n0.491868 0.665751 0.304450 Br\n0.334249 0.826117 0.304450 Br\n0.173883 0.508132 0.304450 Br\n0.826117 0.491868 0.804450 Br\n0.000000 0.159203 0.247116 Br\n0.159203 0.000000 0.247116 Br\n0.159203 0.159203 0.747116 Br\n0.000000 0.840797 0.747116 Br\n0.508132 0.173883 0.304450 Br\n0.840797 0.840797 0.247116 Br\n0.840797 0.000000 0.747116 Br\n0.491868 0.826117 0.804450 Br\n0.334249 0.508132 0.804450 Br\n0.173883 0.665751 0.804450 Br\n0.826117 0.334249 0.304450 Br\n0.665751 0.491868 0.304450 Br\n0.665751 0.173883 0.804450 Br\n",
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"volume": 970.4935068425988,
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"formula_full": "Rb6 V6 Br18",
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"spacegroup": 185
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{
"id": "mp-777649",
"created_at": "2022-09-04T14:46:55.806248Z",
"structure_string": "Li8 Mn7 Fe1 B8 O24\n1.0\n5.254754 0.000000 0.000000\n-0.106563 8.292957 0.000000\n-0.138627 -2.791402 11.799806\nLi Mn Fe B O\n8 7 1 8 24\ndirect\n0.349303 0.718428 0.022788 Li\n0.151174 0.782460 0.227648 Li\n0.848998 0.218347 0.272962 Li\n0.348573 0.717375 0.522884 Li\n0.649877 0.281420 0.477045 Li\n0.152514 0.779902 0.726548 Li\n0.849711 0.218904 0.772182 Li\n0.650534 0.281928 0.976959 Li\n0.167854 0.419762 0.092618 Mn\n0.332282 0.080465 0.157381 Mn\n0.667590 0.919650 0.343009 Mn\n0.833768 0.580336 0.406606 Mn\n0.331380 0.083055 0.655914 Mn\n0.667794 0.921034 0.842711 Mn\n0.832155 0.580187 0.907106 Mn\n0.163717 0.421527 0.592358 Fe\n0.830724 0.904069 0.083197 B\n0.669335 0.595996 0.166828 B\n0.330635 0.404306 0.333787 B\n0.168593 0.098170 0.417261 B\n0.830531 0.903701 0.583640 B\n0.671320 0.592157 0.667034 B\n0.329956 0.405043 0.832505 B\n0.169524 0.095638 0.916814 B\n0.089758 0.877474 0.087708 O\n0.318620 0.188053 0.007006 O\n0.786795 0.483273 0.080079 O\n0.410392 0.622901 0.162727 O\n0.818472 0.688402 0.257063 O\n0.287426 0.984753 0.331148 O\n0.712959 0.016663 0.170019 O\n0.182100 0.312045 0.243377 O\n0.589851 0.377956 0.338208 O\n0.213080 0.517142 0.420416 O\n0.682199 0.810519 0.493427 O\n0.909076 0.122687 0.412604 O\n0.089897 0.877637 0.588100 O\n0.315670 0.192652 0.507309 O\n0.793635 0.478057 0.581979 O\n0.411816 0.614459 0.660105 O\n0.816328 0.688983 0.756493 O\n0.286189 0.982172 0.830187 O\n0.711597 0.016711 0.669837 O\n0.181359 0.313658 0.742017 O\n0.589000 0.377623 0.837144 O\n0.213017 0.517153 0.919931 O\n0.682163 0.811748 0.992834 O\n0.910760 0.123414 0.912500 O\n",
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"formula_full": "Li8 Mn7 Fe1 B8 O24",
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},
{
"id": "mp-1045787",
"created_at": "2022-09-04T14:46:55.854008Z",
"structure_string": "Ca2 Co2 P8 O24\n1.0\n4.383030 6.124369 0.000000\n-4.383030 6.124369 0.000000\n0.000000 4.793987 9.028601\nCa Co P O\n2 2 8 24\ndirect\n0.952890 0.047110 0.750000 Ca\n0.047110 0.952890 0.250000 Ca\n0.000000 0.500000 0.500000 Co\n0.500000 0.000000 0.000000 Co\n0.696131 0.682417 0.804766 P\n0.317583 0.303869 0.695234 P\n0.303869 0.317583 0.195234 P\n0.682417 0.696131 0.304766 P\n0.726310 0.281390 0.024524 P\n0.718610 0.273690 0.475476 P\n0.273690 0.718610 0.975476 P\n0.281390 0.726310 0.524524 P\n0.468243 0.679194 0.843242 O\n0.320806 0.531757 0.656758 O\n0.531757 0.320806 0.156758 O\n0.679194 0.468243 0.343242 O\n0.767836 0.497834 0.932917 O\n0.502166 0.232164 0.567083 O\n0.232164 0.502166 0.067083 O\n0.497834 0.767836 0.432917 O\n0.804816 0.651582 0.656830 O\n0.348418 0.195184 0.843170 O\n0.195184 0.348418 0.343170 O\n0.651582 0.804816 0.156830 O\n0.705229 0.864132 0.831149 O\n0.135868 0.294771 0.668851 O\n0.294771 0.135868 0.168851 O\n0.864132 0.705229 0.331149 O\n0.685015 0.195912 0.928546 O\n0.804088 0.314986 0.571454 O\n0.314986 0.804088 0.071454 O\n0.195912 0.685014 0.428546 O\n0.891007 0.170265 0.088017 O\n0.829735 0.108993 0.411983 O\n0.108993 0.829735 0.911983 O\n0.170265 0.891007 0.588017 O\n",
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"formula_full": "Ca2 Co2 P8 O24",
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},
{
"id": "mp-1173231",
"created_at": "2022-09-04T14:46:55.869071Z",
"structure_string": "Sr4 Ca1 Y1 Co2 Cu4 O14\n1.0\n5.237820 -0.069555 -1.463171\n-0.252886 5.292792 -1.297886\n0.588079 0.216489 12.232053\nSr Ca Y Co Cu O\n4 1 1 2 4 14\ndirect\n0.157186 0.160545 0.301847 Sr\n0.361228 0.362686 0.700263 Sr\n0.638772 0.637314 0.299737 Sr\n0.842814 0.839455 0.698153 Sr\n0.500000 0.500000 0.000000 Ca\n0.000000 0.000000 0.000000 Y\n0.186074 0.809588 0.500110 Co\n0.813926 0.190412 0.499890 Co\n0.071844 0.574006 0.148148 Cu\n0.426899 0.927093 0.851373 Cu\n0.573101 0.072907 0.148627 Cu\n0.928156 0.425994 0.851852 Cu\n0.179699 0.178913 0.866047 O\n0.180488 0.691172 0.869709 O\n0.175160 0.169789 0.501643 O\n0.191151 0.655598 0.352544 O\n0.336150 0.800307 0.647594 O\n0.306855 0.308020 0.124452 O\n0.308052 0.820663 0.131107 O\n0.691948 0.179337 0.868893 O\n0.693145 0.691980 0.875548 O\n0.663850 0.199693 0.352406 O\n0.808849 0.344402 0.647456 O\n0.824840 0.830211 0.498357 O\n0.819512 0.308828 0.130291 O\n0.820301 0.821087 0.133953 O\n",
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