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{
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{
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{
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{
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{
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{
"id": "mp-768559",
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"structure_string": "Li4 V4 Sn2 P6 O24\n1.0\n4.436666 7.680266 0.000000\n-4.436666 7.680266 0.000000\n0.000000 4.988694 7.699946\nLi V Sn P O\n4 4 2 6 24\ndirect\n0.642411 0.357589 0.000000 Li\n0.342621 0.657379 0.500000 Li\n0.159651 0.249500 0.502433 Li\n0.750500 0.840349 0.497567 Li\n0.847119 0.346387 0.204580 V\n0.653613 0.152881 0.795420 V\n0.345675 0.851253 0.699172 V\n0.148747 0.654325 0.300828 V\n0.000755 0.488678 0.796523 Sn\n0.511322 0.999245 0.203477 Sn\n0.539121 0.749590 0.000597 P\n0.250410 0.460879 0.999403 P\n0.957712 0.042288 0.000000 P\n0.038211 0.961789 0.500000 P\n0.747831 0.536480 0.510050 P\n0.463520 0.252169 0.489950 P\n0.498914 0.237546 0.644851 O\n0.877118 0.984883 0.664548 O\n0.719265 0.570556 0.010700 O\n0.727512 0.380379 0.683965 O\n0.386064 0.721533 0.171551 O\n0.577547 0.915207 0.980093 O\n0.084793 0.422453 0.019907 O\n0.429444 0.280735 0.989300 O\n0.015118 0.122882 0.335452 O\n0.766253 0.076690 0.993914 O\n0.070784 0.779595 0.482566 O\n0.762454 0.501086 0.355149 O\n0.218755 0.490900 0.163508 O\n0.923310 0.233747 0.006086 O\n0.220405 0.929216 0.517434 O\n0.982583 0.889577 0.168633 O\n0.579108 0.719326 0.524271 O\n0.915370 0.575302 0.478757 O\n0.424698 0.084630 0.521243 O\n0.619621 0.272488 0.316035 O\n0.278467 0.613936 0.828449 O\n0.280674 0.420892 0.475729 O\n0.110423 0.017417 0.831367 O\n0.509100 0.781245 0.836492 O\n",
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{
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"structure_string": "Nb2 Rh4\n1.0\n2.853340 0.000000 0.000000\n0.000000 4.828935 0.000000\n0.000000 1.789141 6.754791\nNb Rh\n2 4\ndirect\n0.500000 0.269089 0.653634 Nb\n0.500000 0.518293 0.014519 Nb\n0.000000 0.760280 0.669739 Rh\n0.000000 0.212429 0.332560 Rh\n0.000000 0.014573 0.993730 Rh\n0.500000 0.725336 0.335818 Rh\n",
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{
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{
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{
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"formula_full": "Ga40 Mo8 Au1",
"formula_reduced": "Ga40Mo8Au",
"formula_anonymous": "AB8C40",
"energy": -218.75711197000004,
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"is_stable": null,
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"energy_uncorrected": -218.75711197000004,
"band_gap": 0.0,
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"is_magnetic": false,
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"updated_at": "2021-11-28T01:38:36.277000Z",
"spacegroup": 148
},
{
"id": "mp-1203078",
"created_at": "2022-09-04T14:48:14.924106Z",
"structure_string": "Sm4 Er11 S22\n1.0\n1.961518 19.475336 0.000000\n-1.961518 19.475336 0.000000\n0.000000 0.248125 11.311800\nSm Er S\n4 11 22\ndirect\n0.104281 0.104281 0.988003 Sm\n0.895719 0.895719 0.011997 Sm\n0.367144 0.367144 0.653806 Sm\n0.632856 0.632856 0.346194 Sm\n0.798254 0.798254 0.942282 Er\n0.201746 0.201746 0.057718 Er\n0.461687 0.461687 0.727969 Er\n0.538313 0.538313 0.272031 Er\n0.657628 0.657628 0.697397 Er\n0.342372 0.342372 0.302603 Er\n0.264277 0.264277 0.647899 Er\n0.735723 0.735723 0.352101 Er\n0.069337 0.069337 0.640506 Er\n0.930663 0.930663 0.359494 Er\n0.000000 0.000000 0.000000 Er\n0.088103 0.088103 0.247752 S\n0.911897 0.911897 0.752248 S\n0.187998 0.187998 0.308017 S\n0.812002 0.812002 0.691983 S\n0.279963 0.279963 0.410003 S\n0.720037 0.720037 0.589997 S\n0.445953 0.445953 0.504478 S\n0.554047 0.554047 0.495522 S\n0.134249 0.134249 0.543826 S\n0.865751 0.865751 0.456174 S\n0.592947 0.592947 0.789958 S\n0.407053 0.407053 0.210042 S\n0.452298 0.452298 0.968476 S\n0.547702 0.547702 0.031524 S\n0.351707 0.351707 0.907925 S\n0.648293 0.648293 0.092075 S\n0.168026 0.168026 0.849192 S\n0.831974 0.831974 0.150808 S\n0.007844 0.007844 0.760958 S\n0.992156 0.992156 0.239042 S\n0.255030 0.255030 0.880514 S\n0.744970 0.744970 0.119486 S\n",
"nsites": 37,
"nelements": 3,
"elements": [
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"Er",
"S"
],
"chemical_system": "Er-S-Sm",
"density": 6.045999255792216,
"density_atomic": 0.04281172761010063,
"volume": 864.2491687551179,
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"formula_full": "Sm4 Er11 S22",
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"updated_at": "2021-11-28T01:38:38.030000Z",
"spacegroup": 12
}
]
}