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{
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{
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{
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{
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"structure_string": "Ho6 Ga8 Co4\n1.0\n-4.256359 0.000000 0.000000\n2.128179 -3.571998 3.878281\n2.128179 10.202465 11.153695\nHo Ga Co\n6 8 4\ndirect\n0.716774 0.697958 0.735591 Ho\n0.382478 0.689713 0.075243 Ho\n0.045199 0.701164 0.389233 Ho\n0.618297 0.299017 0.937576 Ho\n0.285154 0.303205 0.267102 Ho\n0.950422 0.301189 0.599655 Ho\n0.606070 0.678695 0.533445 Ga\n0.276545 0.679540 0.873550 Ga\n0.096835 0.109654 0.084017 Ga\n0.765797 0.119289 0.412304 Ga\n0.433761 0.121443 0.746081 Ga\n0.571542 0.894158 0.248925 Ga\n0.244533 0.906211 0.582856 Ga\n0.916076 0.909825 0.922326 Ga\n0.723676 0.309595 0.137756 Co\n0.374512 0.287982 0.461042 Co\n0.045018 0.295452 0.794585 Co\n0.947313 0.695911 0.198714 Co\n",
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{
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"structure_string": "K1 La1 Tb1 Bi1 O6\n1.0\n0.000000 -4.301907 -4.301907\n4.301907 0.000000 -4.301907\n4.301907 -4.301907 0.000000\nK La Tb Bi O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 La\n0.500000 0.500000 0.500000 Tb\n-0.000000 0.000000 0.000000 Bi\n0.756116 0.243884 0.243884 O\n0.243884 0.756116 0.756116 O\n0.756116 0.243884 0.756116 O\n0.243884 0.756116 0.243884 O\n0.756116 0.756116 0.243884 O\n0.243884 0.243884 0.756116 O\n",
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{
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"structure_string": "Yb8 Fe12 Si20\n1.0\n10.424793 0.000000 0.000000\n0.000000 10.424793 0.000000\n0.000000 0.000000 5.459556\nYb Fe Si\n8 12 20\ndirect\n0.570830 0.735384 0.500000 Yb\n0.429170 0.264616 0.500000 Yb\n0.070830 0.764616 0.000000 Yb\n0.929170 0.235384 0.000000 Yb\n0.264616 0.570830 0.500000 Yb\n0.735384 0.429170 0.500000 Yb\n0.235384 0.070830 0.000000 Yb\n0.764616 0.929170 0.000000 Yb\n0.877246 0.854183 0.500000 Fe\n0.122754 0.145817 0.500000 Fe\n0.377246 0.645817 0.000000 Fe\n0.622754 0.354183 0.000000 Fe\n0.145817 0.877246 0.500000 Fe\n0.854183 0.122754 0.500000 Fe\n0.354183 0.377246 0.000000 Fe\n0.645817 0.622754 0.000000 Fe\n0.500000 0.000000 0.250000 Fe\n0.000000 0.500000 0.750000 Fe\n0.000000 0.500000 0.250000 Fe\n0.500000 0.000000 0.750000 Fe\n0.677754 0.177754 0.250000 Si\n0.322246 0.822246 0.250000 Si\n0.177754 0.322246 0.750000 Si\n0.822246 0.677754 0.750000 Si\n0.822246 0.677754 0.250000 Si\n0.177754 0.322246 0.250000 Si\n0.677754 0.177754 0.750000 Si\n0.322246 0.822246 0.750000 Si\n0.500000 0.500000 0.232851 Si\n0.000000 0.000000 0.732851 Si\n0.500000 0.500000 0.767149 Si\n0.000000 0.000000 0.267149 Si\n0.682905 0.975982 0.500000 Si\n0.317095 0.024018 0.500000 Si\n0.182905 0.524018 0.000000 Si\n0.817095 0.475982 0.000000 Si\n0.024018 0.682905 0.500000 Si\n0.975982 0.317095 0.500000 Si\n0.475982 0.182905 0.000000 Si\n0.524018 0.817095 0.000000 Si\n",
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"formula_full": "Li4 Mn3 Fe2 Sn1 P6 O24",
"formula_reduced": "Li4Mn3Fe2Sn(PO4)6",
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"spacegroup": 1
},
{
"id": "mp-763023",
"created_at": "2022-09-04T14:47:59.471618Z",
"structure_string": "Fe8 O10 F6\n1.0\n4.740521 0.000000 0.000000\n0.021680 6.071843 0.000000\n0.379159 0.032659 9.454849\nFe O F\n8 10 6\ndirect\n0.039202 0.001655 0.991356 Fe\n0.007091 0.497719 0.007075 Fe\n0.974989 0.001616 0.483358 Fe\n0.941225 0.498180 0.497969 Fe\n0.494312 0.250196 0.246194 Fe\n0.517874 0.751051 0.262069 Fe\n0.490512 0.249413 0.745178 Fe\n0.544513 0.749556 0.767667 Fe\n0.782572 0.252578 0.399819 O\n0.788431 0.749090 0.404285 O\n0.841900 0.750010 0.911400 O\n0.698810 0.501885 0.154731 O\n0.688306 0.004893 0.652555 O\n0.674425 0.495957 0.657436 O\n0.302146 0.001778 0.342275 O\n0.325771 0.000885 0.843890 O\n0.317127 0.496886 0.851498 O\n0.200140 0.249396 0.092707 O\n0.812641 0.246968 0.901246 F\n0.713646 0.998244 0.146534 F\n0.282281 0.500508 0.349528 F\n0.168618 0.744753 0.590445 F\n0.216441 0.752347 0.105623 F\n0.177029 0.254437 0.595161 F\n",
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"volume": 272.1455300720826,
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"formula_full": "Fe8 O10 F6",
"formula_reduced": "Fe4O5F3",
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"energy": -172.72308082,
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"updated_at": "2021-11-28T01:38:26.168000Z",
"spacegroup": 1
},
{
"id": "mp-1209440",
"created_at": "2022-09-04T14:47:59.474989Z",
"structure_string": "Sc4 Ge19 Rh6\n1.0\n-5.103523 -5.103523 5.103523\n-5.103523 5.103523 -5.103523\n5.103523 -5.103523 -5.103523\nSc Ge Rh\n4 19 6\ndirect\n0.647289 0.647289 0.647289 Sc\n0.352711 0.000000 0.000000 Sc\n0.000000 0.352711 0.000000 Sc\n0.000000 0.000000 0.352711 Sc\n0.700028 0.700028 0.000000 Ge\n0.299972 0.299972 0.000000 Ge\n0.700028 0.000000 0.700028 Ge\n0.299972 0.000000 0.299972 Ge\n0.000000 0.700028 0.700028 Ge\n0.000000 0.299972 0.299972 Ge\n0.000000 0.000000 0.000000 Ge\n0.331874 0.553987 0.333661 Ge\n0.668126 0.001787 0.222114 Ge\n0.779674 0.446013 0.777886 Ge\n0.553987 0.333661 0.331874 Ge\n0.220326 0.998213 0.666339 Ge\n0.001787 0.222114 0.668126 Ge\n0.446013 0.777886 0.779674 Ge\n0.998213 0.666339 0.220326 Ge\n0.333661 0.331874 0.553987 Ge\n0.777886 0.779674 0.446013 Ge\n0.666339 0.220326 0.998213 Ge\n0.222114 0.668126 0.001787 Ge\n0.357509 0.857509 0.500000 Rh\n0.642491 0.142491 0.500000 Rh\n0.857509 0.500000 0.357509 Rh\n0.142491 0.500000 0.642491 Rh\n0.500000 0.357509 0.857509 Rh\n0.500000 0.642491 0.142491 Rh\n",
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"Ge",
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],
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"density": 6.800180119512723,
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"volume": 531.7043585204781,
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"formula_full": "Sc4 Ge19 Rh6",
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]
}