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{
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{
"id": "mp-8154",
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{
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"structure_string": "Pm2 Ir1 Pt1\n1.0\n0.000000 3.556449 3.556449\n3.556449 0.000000 3.556449\n3.556449 3.556449 0.000000\nPm Ir Pt\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Pm\n0.750000 0.750000 0.750000 Pm\n0.500000 0.500000 0.500000 Ir\n0.000000 0.000000 0.000000 Pt\n",
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"spacegroup": 225
},
{
"id": "mp-1028398",
"created_at": "2022-09-04T14:48:14.988914Z",
"structure_string": "Mg14 Co1 W1\n1.0\n6.238297 0.105909 0.000000\n-3.027428 5.243659 0.000000\n0.000000 0.000000 9.850439\nMg Co W\n14 1 1\ndirect\n0.167967 0.333983 0.625000 Mg\n0.168504 0.834251 0.625000 Mg\n0.664136 0.335508 0.125000 Mg\n0.663122 0.330547 0.625000 Mg\n0.664136 0.828627 0.125000 Mg\n0.663122 0.832574 0.625000 Mg\n0.326309 0.163686 0.354727 Mg\n0.326309 0.163686 0.895273 Mg\n0.326309 0.662624 0.354727 Mg\n0.326309 0.662624 0.895273 Mg\n0.853326 0.176663 0.361619 Mg\n0.853326 0.176663 0.888381 Mg\n0.846528 0.673265 0.370893 Mg\n0.846528 0.673265 0.879107 Mg\n0.158028 0.329013 0.125000 Co\n0.146039 0.823019 0.125000 W\n",
"nsites": 16,
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"elements": [
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"density": 2.975483934033663,
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"volume": 325.38102180249524,
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"formula_full": "Mg14 Co1 W1",
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"updated_at": "2021-11-28T01:40:06.360000Z",
"spacegroup": 38
},
{
"id": "mp-1178894",
"created_at": "2022-09-04T14:48:14.994541Z",
"structure_string": "V4 H4 O12\n1.0\n-3.673247 0.000000 0.000000\n1.815805 5.909883 0.000000\n-0.134303 -0.910947 -12.076128\nV H O\n4 4 12\ndirect\n0.926757 0.847436 0.867565 V\n0.074096 0.152259 0.133137 V\n0.220253 0.433946 0.865978 V\n0.779854 0.566811 0.133908 V\n0.881237 0.289539 0.468150 H\n0.538721 0.082492 0.491339 H\n0.532696 0.681090 0.494982 H\n0.271937 0.760082 0.580766 H\n0.390015 0.775694 0.893907 O\n0.611385 0.225556 0.105917 O\n0.075857 0.147380 0.916458 O\n0.924321 0.851980 0.081538 O\n0.756492 0.508586 0.902066 O\n0.243782 0.491675 0.097830 O\n0.932533 0.845552 0.734637 O\n0.068403 0.150068 0.265088 O\n0.204237 0.394017 0.734033 O\n0.796322 0.610464 0.265647 O\n0.617875 0.250018 0.491511 O\n0.356656 0.772749 0.504397 O\n",
"nsites": 20,
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"elements": [
"V",
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"formula_full": "V4 H4 O12",
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"updated_at": "2021-11-28T01:38:25.075000Z",
"spacegroup": 1
},
{
"id": "mp-1195837",
"created_at": "2022-09-04T14:48:14.998502Z",
"structure_string": "Ga40 Mo8 Au1\n1.0\n6.498973 -7.062902 0.000000\n6.498973 7.062902 0.000000\n-1.176790 0.000000 9.525565\nGa Mo Au\n40 8 1\ndirect\n0.500000 0.500000 0.500000 Ga\n0.000000 0.500000 0.500000 Ga\n0.500000 0.000000 0.500000 Ga\n0.500000 0.500000 0.000000 Ga\n0.265965 0.634467 0.611357 Ga\n0.611357 0.265965 0.634467 Ga\n0.634467 0.611357 0.265965 Ga\n0.734035 0.365533 0.388643 Ga\n0.388643 0.734035 0.365533 Ga\n0.365533 0.388643 0.734035 Ga\n0.675080 0.779029 0.537625 Ga\n0.537625 0.675080 0.779029 Ga\n0.779029 0.537625 0.675080 Ga\n0.324920 0.220971 0.462375 Ga\n0.462375 0.324920 0.220971 Ga\n0.220971 0.462375 0.324920 Ga\n0.778672 0.074383 0.449552 Ga\n0.449552 0.778672 0.074383 Ga\n0.074383 0.449552 0.778672 Ga\n0.221328 0.925617 0.550448 Ga\n0.550448 0.221328 0.925617 Ga\n0.925617 0.550448 0.221328 Ga\n0.968350 0.786765 0.599522 Ga\n0.599522 0.968350 0.786765 Ga\n0.786765 0.599522 0.968350 Ga\n0.031650 0.213235 0.400478 Ga\n0.400478 0.031650 0.213235 Ga\n0.213235 0.400478 0.031650 Ga\n0.055261 0.741482 0.874226 Ga\n0.874226 0.055261 0.741482 Ga\n0.741482 0.874226 0.055261 Ga\n0.944739 0.258518 0.125774 Ga\n0.125774 0.944739 0.258518 Ga\n0.258518 0.125774 0.944739 Ga\n0.125170 0.176631 0.679048 Ga\n0.679048 0.125170 0.176631 Ga\n0.176631 0.679048 0.125170 Ga\n0.874830 0.823369 0.320952 Ga\n0.320952 0.874830 0.823369 Ga\n0.823369 0.320952 0.874830 Ga\n0.799591 0.799591 0.799591 Mo\n0.200409 0.200409 0.200409 Mo\n0.291140 0.612563 0.887814 Mo\n0.887814 0.291140 0.612563 Mo\n0.612563 0.887814 0.291140 Mo\n0.708860 0.387437 0.112186 Mo\n0.112186 0.708860 0.387437 Mo\n0.387437 0.112186 0.708860 Mo\n0.000000 0.000000 0.000000 Au\n",
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],
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"density": 7.1273166455793255,
"density_atomic": 0.05603345819381511,
"volume": 874.477527881878,
"volume_molar": 10.747401559921416,
"formula_full": "Ga40 Mo8 Au1",
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"formula_anonymous": "AB8C40",
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"updated_at": "2021-11-28T01:38:36.277000Z",
"spacegroup": 148
},
{
"id": "mp-1096047",
"created_at": "2022-09-04T14:48:20.703750Z",
"structure_string": "Sc1 Cu1 Au2\n1.0\n-5.003698 5.680559 8.023472\n5.003698 -5.680559 8.023472\n5.003698 5.680559 -8.023472\nSc Cu Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.500000 0.500000 Cu\n0.000000 0.252989 0.252989 Au\n0.000000 0.747011 0.747011 Au\n",
"nsites": 4,
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"density": 0.9145859561535383,
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"volume": 912.2303085245078,
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"formula_full": "Sc1 Cu1 Au2",
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"spacegroup": 71
},
{
"id": "mp-757662",
"created_at": "2022-09-04T14:48:14.919432Z",
"structure_string": "Mn6 Fe10 O24\n1.0\n8.245887 0.000000 0.000000\n-2.686658 7.886265 0.000000\n-2.745043 -3.881221 6.759575\nMn Fe O\n6 10 24\ndirect\n0.783021 0.249600 0.035667 Mn\n0.000162 0.003569 0.003817 Mn\n0.501558 0.501619 0.003349 Mn\n0.527784 0.281259 0.252689 Mn\n0.502009 0.998397 0.499560 Mn\n0.969099 0.221422 0.751543 Mn\n0.747691 0.957027 0.209908 Fe\n0.752023 0.465639 0.713692 Fe\n0.288375 0.249903 0.538090 Fe\n0.712904 0.750673 0.463054 Fe\n0.251098 0.541822 0.289805 Fe\n0.249125 0.037105 0.787522 Fe\n0.998397 0.497016 0.494522 Fe\n0.042306 0.790254 0.251141 Fe\n0.460736 0.708754 0.748209 Fe\n0.210553 0.749230 0.958927 Fe\n0.785130 0.223718 0.266878 O\n0.536971 0.257647 0.997020 O\n0.270750 0.045962 0.051724 O\n0.782983 0.734878 0.226614 O\n0.009392 0.459758 0.736396 O\n0.495248 0.230565 0.456533 O\n0.744466 0.246407 0.787673 O\n0.051465 0.048103 0.269458 O\n0.763888 0.529607 0.495761 O\n0.043145 0.264540 0.065927 O\n0.441018 0.497411 0.207523 O\n0.279724 0.000163 0.545624 O\n0.547157 0.497023 0.782015 O\n0.951899 0.736551 0.946405 O\n0.713811 0.003695 0.447155 O\n0.261680 0.757543 0.211994 O\n0.232127 0.453214 0.501431 O\n0.962472 0.969127 0.744288 O\n0.489987 0.772663 0.547526 O\n0.216131 0.261599 0.755162 O\n0.007025 0.557448 0.282271 O\n0.733611 0.934983 0.945460 O\n0.459204 0.740148 0.002690 O\n0.223876 0.773951 0.724974 O\n",
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{
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{
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"structure_string": "Fe6 O9 F3\n1.0\n3.426452 4.371556 0.000000\n-3.426452 4.371556 0.000000\n0.000000 2.657917 6.563138\nFe O F\n6 9 3\ndirect\n0.666933 0.664414 0.833849 Fe\n0.640525 0.693265 0.331747 Fe\n0.306735 0.359475 0.668253 Fe\n0.335586 0.333067 0.166151 Fe\n0.015570 0.984430 0.500000 Fe\n0.034385 0.965615 0.000000 Fe\n0.904003 0.890961 0.295038 O\n0.234204 0.225908 0.960242 O\n0.553779 0.574039 0.626637 O\n0.109039 0.095997 0.704962 O\n0.774092 0.765796 0.039758 O\n0.425961 0.446221 0.373363 O\n0.008971 0.644381 0.673997 O\n0.355619 0.991029 0.326003 O\n0.326102 0.673898 0.000000 O\n0.963740 0.360074 0.337251 F\n0.639926 0.036260 0.662749 F\n0.704832 0.295168 0.000000 F\n",
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{
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{
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{
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"updated_at": "2021-11-28T01:39:25.045000Z",
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}