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{
"id": "mp-1206856",
"created_at": "2022-09-04T14:39:28.481025Z",
"structure_string": "Dy2 B6 Mo2\n1.0\n3.174533 0.000000 0.000000\n0.000000 5.456884 0.000000\n0.000000 1.439490 6.692504\nDy B Mo\n2 6 2\ndirect\n0.250000 0.323734 0.709350 Dy\n0.750000 0.676266 0.290650 Dy\n0.250000 0.920421 0.524316 B\n0.750000 0.079579 0.475684 B\n0.250000 0.912379 0.004336 B\n0.750000 0.087621 0.995664 B\n0.250000 0.583622 0.006370 B\n0.750000 0.416378 0.993630 B\n0.250000 0.187902 0.219836 Mo\n0.750000 0.812098 0.780164 Mo\n",
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{
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"nsites": 40,
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"volume": 596.6435258079553,
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"formula_full": "Rb2 V6 Cd8 O24",
"formula_reduced": "RbV3Cd4O12",
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"energy": -263.85736134,
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"spacegroup": 9
},
{
"id": "mp-697701",
"created_at": "2022-09-04T14:39:28.490000Z",
"structure_string": "La2 P6 H16 O14\n1.0\n7.314008 0.000000 0.000000\n-2.044666 7.837431 0.000000\n-1.294075 -3.649847 8.192860\nLa P H O\n2 6 16 14\ndirect\n0.840012 0.682618 0.632043 La\n0.159988 0.317382 0.367957 La\n0.652205 0.318485 0.231617 P\n0.347795 0.681515 0.768383 P\n0.033053 0.192906 0.912244 P\n0.966947 0.807094 0.087756 P\n0.531821 0.271950 0.687114 P\n0.468179 0.728050 0.312886 P\n0.655972 0.375643 0.100619 H\n0.344028 0.624357 0.899381 H\n0.633214 0.126558 0.160416 H\n0.366786 0.873442 0.839584 H\n0.226057 0.183942 0.917775 H\n0.773943 0.816058 0.082225 H\n0.037998 0.347207 0.870470 H\n0.962002 0.652793 0.129530 H\n0.544917 0.099443 0.685058 H\n0.455083 0.900557 0.314942 H\n0.546905 0.376533 0.854782 H\n0.453095 0.623467 0.145218 H\n0.148359 0.996077 0.558893 H\n0.851641 0.003923 0.441107 H\n0.187325 0.800207 0.480245 H\n0.812675 0.199793 0.519755 H\n0.848440 0.427113 0.359566 O\n0.151560 0.572887 0.640434 O\n0.472848 0.339031 0.292889 O\n0.527152 0.660969 0.707111 O\n0.886663 0.019219 0.773970 O\n0.113337 0.980781 0.226030 O\n0.005017 0.239983 0.083587 O\n0.994983 0.760017 0.916413 O\n0.711445 0.362964 0.641639 O\n0.288555 0.637036 0.358361 O\n0.329407 0.237532 0.586313 O\n0.670593 0.762468 0.413687 O\n0.111105 0.866599 0.547578 O\n0.888895 0.133401 0.452422 O\n",
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"elements": [
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"chemical_system": "H-La-O-P",
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"formula_full": "La2 P6 H16 O14",
"formula_reduced": "LaP3H8O7",
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{
"id": "mp-1203942",
"created_at": "2022-09-04T14:39:28.521095Z",
"structure_string": "Zn8 Si4 H8 O20\n1.0\n0.000000 0.000000 5.198596\n8.382963 0.000000 0.000000\n0.000000 10.731939 0.000000\nZn Si H O\n8 4 8 20\ndirect\n0.498730 0.738577 0.353398 Zn\n0.498730 0.261423 0.646602 Zn\n0.998730 0.761423 0.853398 Zn\n0.998730 0.238577 0.146602 Zn\n0.990552 0.831011 0.173143 Zn\n0.990552 0.168989 0.826857 Zn\n0.490552 0.668989 0.673143 Zn\n0.490552 0.331011 0.326857 Zn\n0.004514 0.530793 0.353828 Si\n0.004514 0.469207 0.646172 Si\n0.504514 0.969207 0.853828 Si\n0.504514 0.030793 0.146172 Si\n0.669212 0.873328 0.537230 H\n0.669212 0.126672 0.462770 H\n0.169212 0.626672 0.037230 H\n0.169212 0.373328 0.962770 H\n0.080933 0.954188 0.437808 H\n0.080933 0.045812 0.562192 H\n0.580933 0.545812 0.937808 H\n0.580933 0.454188 0.062192 H\n0.129540 0.704419 0.315116 O\n0.129540 0.295581 0.684884 O\n0.629540 0.795581 0.815116 O\n0.629540 0.204419 0.184884 O\n0.636755 0.885502 0.226590 O\n0.636755 0.114498 0.773410 O\n0.136755 0.614498 0.726590 O\n0.136755 0.385502 0.273410 O\n0.692197 0.533291 0.332617 O\n0.692197 0.466709 0.667383 O\n0.192197 0.966709 0.832617 O\n0.192197 0.033291 0.167383 O\n0.517850 0.804850 0.527273 O\n0.517850 0.195150 0.472727 O\n0.017850 0.695150 0.027273 O\n0.017850 0.304850 0.972727 O\n0.086948 0.500000 0.500000 O\n0.586948 0.000000 0.000000 O\n0.965187 0.000000 0.500000 O\n0.465187 0.500000 0.000000 O\n",
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"formula_full": "Zn8 Si4 H8 O20",
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{
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"created_at": "2022-09-04T14:39:28.563514Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n5.032551 0.000000 0.000000\n0.836965 6.542370 0.000000\n1.780037 0.291416 7.542407\nLi Mn Co O\n8 2 4 14\ndirect\n0.922335 0.147411 0.638393 Li\n0.651229 0.704648 0.225853 Li\n0.502291 0.993473 0.499276 Li\n0.228282 0.569360 0.071134 Li\n0.061200 0.851773 0.364745 Li\n0.783165 0.433528 0.924721 Li\n0.365504 0.294425 0.776840 Li\n0.713987 0.576544 0.575880 Li\n0.998705 0.998389 0.000187 Mn\n0.145167 0.711709 0.710680 Mn\n0.419133 0.145212 0.149721 Co\n0.843208 0.291881 0.298029 Co\n0.570848 0.855793 0.855436 Co\n0.275393 0.439991 0.426968 Co\n0.251985 0.980300 0.765366 O\n0.983880 0.555875 0.319110 O\n0.831438 0.851703 0.629614 O\n0.542324 0.419014 0.179304 O\n0.374241 0.712433 0.478665 O\n0.099728 0.261193 0.039646 O\n0.682830 0.120860 0.905827 O\n0.606462 0.284300 0.519061 O\n0.310320 0.869855 0.087083 O\n0.188336 0.146908 0.381023 O\n0.887877 0.735865 0.949030 O\n0.759818 0.001814 0.231516 O\n0.447301 0.598441 0.817898 O\n0.053015 0.447302 0.678993 O\n",
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"formula_full": "Li8 Mn2 Co4 O14",
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{
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{
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"structure_string": "Sc2 Ga2 O6\n1.0\n1.662790 -2.880037 0.000000\n1.662790 2.880037 0.000000\n0.000000 0.000000 11.864690\nSc Ga O\n2 2 6\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.000000 0.500000 Sc\n0.333333 0.666667 0.250000 Ga\n0.666667 0.333333 0.750000 Ga\n0.333333 0.666667 0.083555 O\n0.000000 0.000000 0.250000 O\n0.333333 0.666667 0.416445 O\n0.000000 0.000000 0.750000 O\n0.666667 0.333333 0.583555 O\n0.666667 0.333333 0.916445 O\n",
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{
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{
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{
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"created_at": "2022-09-04T14:39:28.558212Z",
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"formula_full": "Y4 Si4 Ir4",
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{
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"created_at": "2022-09-04T14:39:28.560427Z",
"structure_string": "Ce2 Fe12 Co5\n1.0\n4.836684 -4.211454 0.000000\n4.836684 4.211454 0.000000\n1.169637 0.000000 6.305697\nCe Fe Co\n2 12 5\ndirect\n0.654873 0.654873 0.654873 Ce\n0.345127 0.345127 0.345127 Ce\n0.710111 0.289889 0.000000 Fe\n0.000000 0.710111 0.289889 Fe\n0.289889 0.000000 0.710111 Fe\n0.000000 0.289889 0.710111 Fe\n0.710111 0.000000 0.289889 Fe\n0.289889 0.710111 0.000000 Fe\n0.340512 0.340512 0.847551 Fe\n0.847551 0.340512 0.340512 Fe\n0.340512 0.847551 0.340512 Fe\n0.659488 0.659488 0.152449 Fe\n0.152449 0.659488 0.659488 Fe\n0.659488 0.152449 0.659488 Fe\n0.000000 0.000000 0.500000 Co\n0.500000 0.000000 0.000000 Co\n0.000000 0.500000 0.000000 Co\n0.907298 0.907298 0.907298 Co\n0.092702 0.092702 0.092702 Co\n",
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}