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{
"id": "mp-1043122",
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{
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"updated_at": "2021-11-28T01:35:30.708000Z",
"spacegroup": 204
},
{
"id": "mp-1043118",
"created_at": "2022-09-04T14:41:33.697128Z",
"structure_string": "Cu3 Mo4 O12\n1.0\n6.182562 -0.002322 -2.191314\n-3.095216 5.369403 -2.196832\n0.002089 -0.003151 6.579725\nCu Mo O\n3 4 12\ndirect\n0.499999 0.500000 0.000002 Cu\n0.000002 0.500001 0.499998 Cu\n0.500000 0.999998 0.499998 Cu\n0.000001 0.000000 0.500000 Mo\n0.999999 0.500000 0.999999 Mo\n0.500000 0.500000 0.500001 Mo\n0.500000 0.000000 0.000000 Mo\n0.814101 0.307712 0.132476 O\n0.185899 0.692288 0.867522 O\n0.822225 0.691364 0.507612 O\n0.320039 0.492608 0.185613 O\n0.492069 0.188303 0.320925 O\n0.130473 0.815840 0.308005 O\n0.696460 0.869596 0.189164 O\n0.507932 0.811697 0.679074 O\n0.177776 0.308636 0.492387 O\n0.679958 0.507392 0.814389 O\n0.869527 0.184161 0.691995 O\n0.303539 0.130406 0.810838 O\n",
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{
"id": "mp-1043115",
"created_at": "2022-09-04T14:39:32.602588Z",
"structure_string": "Zn3 Fe4 Bi6 O24\n1.0\n6.653944 0.000000 0.000000\n-2.723055 7.501552 0.000000\n-1.556815 -3.532062 10.638379\nZn Fe Bi O\n3 4 6 24\ndirect\n0.500000 0.000000 0.500000 Zn\n0.475310 0.513840 0.794834 Zn\n0.524690 0.486160 0.205166 Zn\n0.232527 0.634084 0.591206 Fe\n0.767473 0.365916 0.408794 Fe\n0.973186 0.782042 0.981863 Fe\n0.026814 0.217958 0.018137 Fe\n0.864167 0.332012 0.733185 Bi\n0.135833 0.667988 0.266815 Bi\n0.866334 0.808533 0.687157 Bi\n0.394254 0.093516 0.895375 Bi\n0.133666 0.191467 0.312843 Bi\n0.605746 0.906484 0.104625 Bi\n0.788968 0.027843 0.634781 O\n0.211032 0.972157 0.365219 O\n0.540886 0.284539 0.795828 O\n0.459114 0.715461 0.204172 O\n0.659626 0.266483 0.547915 O\n0.340374 0.733517 0.452085 O\n0.921802 0.623894 0.539257 O\n0.078198 0.376106 0.460743 O\n0.358238 0.289289 0.041337 O\n0.641762 0.710711 0.958663 O\n0.821327 0.513937 0.287916 O\n0.178673 0.486063 0.712084 O\n0.527588 0.661019 0.665483 O\n0.982967 0.013493 0.118188 O\n0.017033 0.986507 0.881812 O\n0.760081 0.109811 0.289762 O\n0.239919 0.890189 0.710238 O\n0.965787 0.644973 0.094954 O\n0.034213 0.355027 0.905046 O\n0.859919 0.612480 0.800562 O\n0.140081 0.387520 0.199438 O\n0.699785 0.116318 0.000713 O\n0.300215 0.883682 0.999287 O\n0.472412 0.338981 0.334517 O\n",
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"elements": [
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"volume": 531.0136975762573,
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"formula_full": "Zn3 Fe4 Bi6 O24",
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"energy": -230.86004671,
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{
"id": "mp-1043112",
"created_at": "2022-09-04T14:41:15.578765Z",
"structure_string": "Sr4 Cu4 Mo2 O14\n1.0\n12.946562 3.739194 0.000000\n-12.946562 3.739194 0.000000\n0.000000 3.714248 3.797274\nSr Cu Mo O\n4 4 2 14\ndirect\n0.374387 0.143108 0.010716 Sr\n0.627496 0.857067 0.024957 Sr\n0.857067 0.627496 0.024957 Sr\n0.143108 0.374387 0.010716 Sr\n0.437017 0.058705 0.523700 Cu\n0.563559 0.941699 0.513454 Cu\n0.941699 0.563559 0.513454 Cu\n0.058705 0.437017 0.523700 Cu\n0.837315 0.837315 0.413807 Mo\n0.154658 0.154658 0.535671 Mo\n0.202388 0.202388 0.116144 O\n0.834209 0.834209 0.029840 O\n0.675537 0.324226 0.022082 O\n0.327227 0.674477 0.514944 O\n0.674477 0.327227 0.514944 O\n0.324226 0.675537 0.022082 O\n0.173136 0.826206 0.021560 O\n0.828763 0.171505 0.516216 O\n0.171505 0.828763 0.516216 O\n0.826206 0.173136 0.021560 O\n0.787123 0.655645 0.575773 O\n0.202074 0.330755 0.505015 O\n0.330755 0.202074 0.505015 O\n0.655645 0.787123 0.575773 O\n",
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"formula_full": "Sr4 Cu4 Mo2 O14",
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{
"id": "mp-1043110",
"created_at": "2022-09-04T14:41:49.268965Z",
"structure_string": "Mg1 Co4 Cu3 O12\n1.0\n-3.601686 3.601686 3.601686\n3.601686 -3.601686 3.601686\n3.601686 3.601686 -3.601686\nMg Co Cu O\n1 4 3 12\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.000000 Co\n0.500000 0.000000 0.000000 Co\n0.500000 0.500000 0.500000 Co\n0.000000 0.000000 0.500000 Co\n0.500000 0.000000 0.500000 Cu\n0.500000 0.500000 0.000000 Cu\n0.000000 0.500000 0.500000 Cu\n0.305655 0.133727 0.828071 O\n0.694345 0.866273 0.171929 O\n0.694345 0.522416 0.828071 O\n0.477584 0.171929 0.305655 O\n0.171929 0.305655 0.477584 O\n0.828071 0.305655 0.133727 O\n0.866273 0.171929 0.694345 O\n0.828071 0.694345 0.522416 O\n0.305655 0.477584 0.171929 O\n0.522416 0.828071 0.694345 O\n0.171929 0.694345 0.866273 O\n0.133727 0.828071 0.305655 O\n",
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{
"id": "mp-1043109",
"created_at": "2022-09-04T14:47:13.123029Z",
"structure_string": "Zn4 Fe4 Ni4 P8 O36\n1.0\n6.231245 0.000000 0.000000\n0.000000 7.386745 0.000000\n0.000000 0.000000 14.209686\nZn Fe Ni P O\n4 4 4 8 36\ndirect\n0.250000 0.929167 0.779242 Zn\n0.250000 0.570833 0.279242 Zn\n0.750000 0.070833 0.220758 Zn\n0.750000 0.429167 0.720758 Zn\n0.250000 0.353149 0.881755 Fe\n0.750000 0.646851 0.118245 Fe\n0.750000 0.853149 0.618245 Fe\n0.250000 0.146851 0.381755 Fe\n0.000000 0.000000 0.000000 Ni\n0.000000 0.500000 0.500000 Ni\n0.500000 0.500000 0.500000 Ni\n0.500000 0.000000 0.000000 Ni\n0.750000 0.357052 0.929208 P\n0.250000 0.642948 0.070792 P\n0.250000 0.857052 0.570792 P\n0.750000 0.142948 0.429208 P\n0.250000 0.379267 0.695228 P\n0.750000 0.620733 0.304772 P\n0.750000 0.879267 0.804772 P\n0.250000 0.120733 0.195228 P\n0.536863 0.609027 0.360773 O\n0.036863 0.390973 0.639227 O\n0.463137 0.109027 0.139227 O\n0.963137 0.890973 0.860773 O\n0.463137 0.390973 0.639227 O\n0.963137 0.609027 0.360773 O\n0.536863 0.890973 0.860773 O\n0.036863 0.109027 0.139227 O\n0.750000 0.334239 0.476590 O\n0.250000 0.665761 0.523410 O\n0.250000 0.834239 0.023410 O\n0.750000 0.165761 0.976590 O\n0.250000 0.131053 0.947633 O\n0.750000 0.868947 0.052367 O\n0.750000 0.631053 0.552367 O\n0.250000 0.368947 0.447633 O\n0.250000 0.200172 0.754711 O\n0.750000 0.799828 0.245289 O\n0.750000 0.700172 0.745289 O\n0.250000 0.299828 0.254711 O\n0.939169 0.128933 0.359746 O\n0.439169 0.871067 0.640254 O\n0.060831 0.628933 0.140254 O\n0.560831 0.371067 0.859746 O\n0.060831 0.871067 0.640254 O\n0.560831 0.128933 0.359746 O\n0.939169 0.371067 0.859746 O\n0.439169 0.628933 0.140254 O\n0.250000 0.969510 0.271980 O\n0.750000 0.030490 0.728020 O\n0.750000 0.469510 0.228020 O\n0.250000 0.530490 0.771980 O\n0.250000 0.002214 0.494971 O\n0.750000 0.997786 0.505029 O\n0.750000 0.502214 0.005029 O\n0.250000 0.497786 0.994971 O\n",
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"formula_full": "Zn4 Fe4 Ni4 P8 O36",
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{
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"structure_string": "Zn4 Ni4 Mo4 P8 O36\n1.0\n6.438204 0.000000 0.000000\n0.000000 7.616439 0.000000\n0.000000 0.000000 14.341967\nZn Ni Mo P O\n4 4 4 8 36\ndirect\n0.250000 0.439499 0.780518 Zn\n0.250000 0.060501 0.280518 Zn\n0.750000 0.560501 0.219482 Zn\n0.750000 0.939499 0.719482 Zn\n0.000000 0.500000 0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n0.500000 0.000000 0.500000 Ni\n0.500000 0.500000 0.000000 Ni\n0.250000 0.856272 0.884785 Mo\n0.750000 0.143728 0.115215 Mo\n0.750000 0.356272 0.615215 Mo\n0.250000 0.643728 0.384785 Mo\n0.750000 0.846681 0.927507 P\n0.250000 0.153319 0.072493 P\n0.250000 0.346681 0.572493 P\n0.750000 0.653319 0.427507 P\n0.250000 0.876782 0.692346 P\n0.750000 0.123218 0.307654 P\n0.750000 0.376782 0.807654 P\n0.250000 0.623218 0.192346 P\n0.541753 0.115069 0.362201 O\n0.041753 0.884931 0.637799 O\n0.458247 0.615069 0.137799 O\n0.958247 0.384931 0.862201 O\n0.458247 0.884931 0.637799 O\n0.958247 0.115069 0.362201 O\n0.541753 0.384931 0.862201 O\n0.041753 0.615069 0.137799 O\n0.750000 0.835655 0.472379 O\n0.250000 0.164345 0.527621 O\n0.250000 0.335655 0.027621 O\n0.750000 0.664345 0.972379 O\n0.250000 0.630968 0.943695 O\n0.750000 0.369032 0.056305 O\n0.750000 0.130968 0.556305 O\n0.250000 0.869032 0.443695 O\n0.250000 0.704331 0.755657 O\n0.750000 0.295669 0.244343 O\n0.750000 0.204331 0.744343 O\n0.250000 0.795669 0.255657 O\n0.932999 0.627064 0.358716 O\n0.432999 0.372936 0.641284 O\n0.067001 0.127064 0.141284 O\n0.567001 0.872936 0.858716 O\n0.067001 0.372936 0.641284 O\n0.567001 0.627064 0.358716 O\n0.932999 0.872936 0.858716 O\n0.432999 0.127064 0.141284 O\n0.250000 0.477164 0.268276 O\n0.750000 0.522836 0.731724 O\n0.750000 0.977164 0.231724 O\n0.250000 0.022836 0.768276 O\n0.250000 0.486340 0.495275 O\n0.750000 0.513660 0.504725 O\n0.750000 0.986340 0.004725 O\n0.250000 0.013660 0.995275 O\n",
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{
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