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{
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"results": [
{
"id": "mp-757903",
"created_at": "2022-09-04T14:40:38.848531Z",
"structure_string": "Mn2 Cr3 Co3 O16\n1.0\n2.878761 4.959511 0.000000\n-2.878761 4.959511 0.000000\n0.000000 0.031038 8.841533\nMn Cr Co O\n2 3 3 16\ndirect\n0.332754 0.332754 0.515324 Mn\n0.665797 0.665797 0.019781 Mn\n0.672176 0.170307 0.795103 Cr\n0.170307 0.672176 0.795103 Cr\n0.837863 0.837863 0.297920 Cr\n0.172543 0.172543 0.785350 Co\n0.831528 0.340539 0.287330 Co\n0.340539 0.831528 0.287330 Co\n0.662372 0.168910 0.395301 O\n0.476279 0.476279 0.660260 O\n0.327532 0.327532 0.902970 O\n0.008423 0.008423 0.682138 O\n0.007666 0.007666 0.182871 O\n0.168910 0.662372 0.395301 O\n0.476863 0.041836 0.658262 O\n0.041836 0.476863 0.658262 O\n0.827243 0.827243 0.891755 O\n0.162742 0.162742 0.394609 O\n0.958773 0.518557 0.159795 O\n0.518557 0.958773 0.159795 O\n0.661353 0.661353 0.399056 O\n0.831020 0.335829 0.895917 O\n0.520278 0.520278 0.163130 O\n0.335829 0.831020 0.895917 O\n",
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},
{
"id": "mp-676013",
"created_at": "2022-09-04T14:40:38.349930Z",
"structure_string": "Yb16 Fe8 S32\n1.0\n3.813526 6.686816 0.000000\n-3.813526 6.686816 0.000000\n0.000000 4.639447 25.458201\nYb Fe S\n16 8 32\ndirect\n0.000000 0.000000 0.500000 Yb\n0.500000 0.000000 0.500000 Yb\n0.250102 0.250102 0.749048 Yb\n0.000000 0.500000 0.500000 Yb\n0.125196 0.125196 0.624942 Yb\n0.744742 0.255910 0.748777 Yb\n0.846503 0.846503 0.870380 Yb\n0.500000 0.500000 0.000000 Yb\n0.255910 0.744742 0.748777 Yb\n0.374993 0.374993 0.875682 Yb\n0.153497 0.153497 0.129620 Yb\n0.749898 0.749898 0.250952 Yb\n0.625007 0.625007 0.124318 Yb\n0.255258 0.744090 0.251223 Yb\n0.744090 0.255258 0.251223 Yb\n0.874804 0.874804 0.375058 Yb\n0.531378 0.531378 0.407329 Fe\n0.782515 0.782515 0.655129 Fe\n0.041945 0.041945 0.912032 Fe\n0.468622 0.468622 0.592671 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 0.000000 0.000000 Fe\n0.958055 0.958055 0.087968 Fe\n0.217485 0.217485 0.344871 Fe\n0.202620 0.680478 0.436102 S\n0.680478 0.202620 0.436102 S\n0.810959 0.810959 0.567678 S\n0.679906 0.679906 0.435911 S\n0.458945 0.928147 0.685130 S\n0.320094 0.320094 0.564089 S\n0.928147 0.458945 0.685130 S\n0.319521 0.797380 0.563898 S\n0.057506 0.057506 0.824022 S\n0.189041 0.189041 0.432322 S\n0.928004 0.928004 0.685172 S\n0.797380 0.319522 0.563898 S\n0.559104 0.559104 0.812520 S\n0.702406 0.160097 0.940245 S\n0.553403 0.078040 0.809969 S\n0.298548 0.298548 0.038943 S\n0.160097 0.702406 0.940245 S\n0.439922 0.439922 0.678895 S\n0.192094 0.192094 0.949999 S\n0.078040 0.553403 0.809969 S\n0.921960 0.446597 0.190031 S\n0.807906 0.807906 0.050001 S\n0.446597 0.921960 0.190031 S\n0.839903 0.297594 0.059755 S\n0.560078 0.560078 0.321105 S\n0.701452 0.701452 0.961057 S\n0.440896 0.440896 0.187480 S\n0.297594 0.839903 0.059755 S\n0.071996 0.071996 0.314828 S\n0.071853 0.541055 0.314870 S\n0.942494 0.942494 0.175978 S\n0.541055 0.071853 0.314870 S\n",
"nsites": 56,
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"elements": [
"Yb",
"Fe",
"S"
],
"chemical_system": "Fe-S-Yb",
"density": 5.424537672073888,
"density_atomic": 0.04313047445949728,
"volume": 1298.3859023528285,
"volume_molar": 13.962611901372052,
"formula_full": "Yb16 Fe8 S32",
"formula_reduced": "Yb2FeS4",
"formula_anonymous": "AB2C4",
"energy": -295.73745159,
"energy_per_atom": -5.2810259212499995,
"energy_above_hull": null,
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"energy_uncorrected": -279.64145159,
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"updated_at": "2021-11-28T01:35:06.299000Z",
"spacegroup": 12
},
{
"id": "mp-754328",
"created_at": "2022-09-04T14:40:38.353919Z",
"structure_string": "Li4 Nb1 V3 O8\n1.0\n5.377005 -2.869336 0.000000\n5.377005 2.869336 0.000000\n3.845838 0.000000 4.728087\nLi Nb V O\n4 1 3 8\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.000000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Nb\n0.500000 0.000000 0.500000 V\n0.000000 0.500000 0.500000 V\n0.500000 0.500000 0.000000 V\n0.257552 0.257552 0.257552 O\n0.747686 0.258270 0.747686 O\n0.258270 0.747686 0.747686 O\n0.742448 0.742448 0.742448 O\n0.747686 0.747686 0.258270 O\n0.252314 0.741730 0.252314 O\n0.741730 0.252314 0.252314 O\n0.252314 0.252314 0.741730 O\n",
"nsites": 16,
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"elements": [
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"Nb",
"V",
"O"
],
"chemical_system": "Li-Nb-O-V",
"density": 4.569688684169177,
"density_atomic": 0.10966869615291537,
"volume": 145.89395662815733,
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"formula_full": "Li4 Nb1 V3 O8",
"formula_reduced": "Li4NbV3O8",
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"energy": -123.10954218,
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"updated_at": "2021-11-28T01:35:02.769000Z",
"spacegroup": 166
},
{
"id": "mp-3667",
"created_at": "2022-09-04T14:40:38.355997Z",
"structure_string": "P8 S8 O12\n1.0\n-4.844479 4.844479 7.168310\n4.844479 -4.844479 7.168310\n4.844479 4.844479 -7.168310\nP S O\n8 8 12\ndirect\n0.034840 0.717931 0.395269 P\n0.322662 0.639571 0.604731 P\n0.534840 0.139571 0.316909 P\n0.282069 0.677338 0.316909 P\n0.360429 0.965160 0.683091 P\n0.782069 0.465160 0.604731 P\n0.860429 0.177338 0.395269 P\n0.822662 0.217931 0.683091 P\n0.806960 0.683408 0.284264 S\n0.899144 0.183408 0.876448 S\n0.316592 0.600856 0.123552 S\n0.477304 0.193040 0.876448 S\n0.816592 0.693040 0.715736 S\n0.977304 0.100856 0.284264 S\n0.306960 0.022696 0.123552 S\n0.399144 0.522696 0.715736 S\n0.125077 0.625077 0.500000 O\n0.841012 0.410279 0.751921 O\n0.658359 0.089092 0.248079 O\n0.589721 0.341641 0.430733 O\n0.341012 0.589092 0.430733 O\n0.158359 0.910279 0.569267 O\n0.910908 0.158988 0.569267 O\n0.410908 0.841641 0.751921 O\n0.374923 0.874923 0.500000 O\n0.874923 0.374923 0.500000 O\n0.625077 0.125077 0.500000 O\n0.089721 0.658988 0.248079 O\n",
"nsites": 28,
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"elements": [
"P",
"S",
"O"
],
"chemical_system": "O-P-S",
"density": 1.7182105201339832,
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"volume": 672.9316038086853,
"volume_molar": 14.473174428530198,
"formula_full": "P8 S8 O12",
"formula_reduced": "P2S2O3",
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"energy": -182.62328332,
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"updated_at": "2021-11-28T01:35:05.493000Z",
"spacegroup": 120
},
{
"id": "mp-1212315",
"created_at": "2022-09-04T14:40:38.368647Z",
"structure_string": "Li2 P2 H4 S6 N14\n1.0\n6.596354 -0.014138 0.174352\n1.793111 6.498785 0.429764\n0.146440 0.238755 13.521024\nLi P H S N\n2 2 4 6 14\ndirect\n0.105187 0.250321 0.418626 Li\n0.894813 0.749679 0.581374 Li\n0.521696 0.314548 0.180139 P\n0.478304 0.685452 0.819861 P\n0.868969 0.316712 0.147681 H\n0.131031 0.683288 0.852319 H\n0.706706 0.429449 0.049100 H\n0.293294 0.570551 0.950900 H\n0.489523 0.423176 0.323675 S\n0.510477 0.576824 0.676325 S\n0.621271 0.104127 0.300791 S\n0.378729 0.895873 0.699209 S\n0.275642 0.337041 0.100847 S\n0.724358 0.662959 0.899153 S\n0.728022 0.337935 0.114243 N\n0.271978 0.662065 0.885757 N\n0.011471 0.451312 0.678913 N\n0.988529 0.548688 0.321087 N\n0.438903 0.835940 0.103660 N\n0.561097 0.164060 0.896340 N\n0.382931 0.238289 0.495609 N\n0.617069 0.761711 0.504391 N\n0.107558 0.063105 0.290783 N\n0.892442 0.936895 0.709217 N\n0.051425 0.197348 0.912607 N\n0.948575 0.802652 0.087393 N\n0.199329 0.767905 0.529980 N\n0.800671 0.232095 0.470020 N\n",
"nsites": 28,
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"elements": [
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"P",
"H",
"S",
"N"
],
"chemical_system": "H-Li-N-P-S",
"density": 1.3427304737814196,
"density_atomic": 0.04834280137808224,
"volume": 579.1968856131432,
"volume_molar": 12.457161331842741,
"formula_full": "Li2 P2 H4 S6 N14",
"formula_reduced": "LiPH2S3N7",
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"energy": -121.65228423,
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"spacegroup": 2
},
{
"id": "mp-1204393",
"created_at": "2022-09-04T14:40:38.371063Z",
"structure_string": "Mg4 H48 C12 S4 O28\n1.0\n9.584737 0.000000 0.000000\n0.000000 8.136497 0.000000\n0.000000 3.440845 12.004131\nMg H C S O\n4 48 12 4 28\ndirect\n0.703531 0.010475 0.860214 Mg\n0.203531 0.989525 0.639786 Mg\n0.296469 0.989525 0.139786 Mg\n0.796469 0.010475 0.360214 Mg\n0.556117 0.286252 0.811396 H\n0.056117 0.713748 0.688604 H\n0.443883 0.713748 0.188604 H\n0.943883 0.286252 0.311396 H\n0.964733 0.060723 0.800089 H\n0.464733 0.939277 0.699911 H\n0.035267 0.939277 0.199911 H\n0.535267 0.060723 0.300089 H\n0.681279 0.730027 0.017796 H\n0.181279 0.269973 0.482204 H\n0.318721 0.269973 0.982204 H\n0.818721 0.730027 0.517796 H\n0.652437 0.502720 0.659584 H\n0.152437 0.497280 0.840416 H\n0.347563 0.497280 0.340416 H\n0.847563 0.502720 0.159584 H\n0.617720 0.309401 0.621391 H\n0.117720 0.690599 0.878609 H\n0.382280 0.690599 0.378609 H\n0.882280 0.309401 0.121391 H\n0.789850 0.355300 0.659224 H\n0.289850 0.644700 0.840776 H\n0.210150 0.644700 0.340776 H\n0.710150 0.355300 0.159224 H\n0.697043 0.482977 0.954732 H\n0.197043 0.517023 0.545268 H\n0.302957 0.517023 0.045268 H\n0.802957 0.482977 0.454732 H\n0.731125 0.621441 0.819455 H\n0.231125 0.378559 0.680545 H\n0.268875 0.378559 0.180545 H\n0.768875 0.621441 0.319455 H\n0.561413 0.618840 0.879852 H\n0.061413 0.381160 0.620148 H\n0.438587 0.381160 0.120148 H\n0.938587 0.618840 0.379852 H\n0.080789 0.218071 0.897520 H\n0.580789 0.781929 0.602480 H\n0.919211 0.781929 0.102480 H\n0.419211 0.218071 0.397520 H\n0.933096 0.199516 0.986737 H\n0.433096 0.800484 0.513263 H\n0.066904 0.800484 0.013263 H\n0.566904 0.199516 0.486737 H\n0.924049 0.337347 0.847841 H\n0.424049 0.662653 0.652159 H\n0.075951 0.662653 0.152159 H\n0.575951 0.337347 0.347841 H\n0.678731 0.366552 0.676652 C\n0.178731 0.633448 0.823348 C\n0.321269 0.633448 0.323348 C\n0.821269 0.366552 0.176652 C\n0.674253 0.608935 0.897314 C\n0.174253 0.391065 0.602686 C\n0.325747 0.391065 0.102686 C\n0.825747 0.608935 0.397314 C\n0.966550 0.216240 0.900579 C\n0.466550 0.783760 0.599421 C\n0.033450 0.783760 0.099421 C\n0.533450 0.216240 0.400579 C\n0.359146 0.049952 0.867373 S\n0.859146 0.950048 0.632627 S\n0.640854 0.950048 0.132627 S\n0.140854 0.049952 0.367373 S\n0.383905 0.235116 0.858938 O\n0.883905 0.764884 0.641062 O\n0.616095 0.764884 0.141062 O\n0.116095 0.235116 0.358938 O\n0.243546 0.032320 0.792267 O\n0.743546 0.967680 0.707733 O\n0.756454 0.967680 0.207733 O\n0.256454 0.032320 0.292267 O\n0.323046 0.956345 0.983267 O\n0.823046 0.043655 0.516733 O\n0.676954 0.043655 0.016733 O\n0.176954 0.956345 0.483267 O\n0.489171 0.975213 0.832338 O\n0.989171 0.024787 0.667662 O\n0.510829 0.024787 0.167662 O\n0.010829 0.975213 0.332338 O\n0.656106 0.278241 0.792094 O\n0.156106 0.721759 0.707906 O\n0.343894 0.721759 0.207906 O\n0.843894 0.278241 0.292094 O\n0.913992 0.072754 0.866611 O\n0.413992 0.927246 0.633389 O\n0.086008 0.927246 0.133389 O\n0.586008 0.072754 0.366611 O\n0.721246 0.744638 0.942209 O\n0.221246 0.255362 0.557791 O\n0.278754 0.255362 0.057791 O\n0.778754 0.744638 0.442209 O\n",
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"H",
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],
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"density": 1.5360484452545946,
"density_atomic": 0.10254697118531711,
"volume": 936.1563670809371,
"volume_molar": 5.872568141595452,
"formula_full": "Mg4 H48 C12 S4 O28",
"formula_reduced": "MgH12C3SO7",
"formula_anonymous": "ABC3D7E12",
"energy": -536.51122043,
"energy_per_atom": -5.588658546145833,
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"updated_at": "2021-11-28T01:35:06.116000Z",
"spacegroup": 14
},
{
"id": "mp-769585",
"created_at": "2022-09-04T14:40:38.602969Z",
"structure_string": "Li4 Mn3 Co3 Te2 O16\n1.0\n5.960118 0.000000 0.000000\n2.970452 5.206549 0.000000\n0.108322 0.073443 9.833271\nLi Mn Co Te O\n4 3 3 2 16\ndirect\n0.331346 0.330096 0.086851 Li\n0.996023 0.995038 0.015258 Li\n0.996741 0.997697 0.516914 Li\n0.669600 0.666904 0.588441 Li\n0.168830 0.170478 0.791414 Mn\n0.339553 0.830822 0.289244 Mn\n0.830333 0.339577 0.289189 Mn\n0.172999 0.658518 0.786429 Co\n0.654037 0.173482 0.781638 Co\n0.828469 0.829161 0.283729 Co\n0.335122 0.338157 0.516918 Te\n0.663735 0.667088 0.016360 Te\n0.174556 0.662532 0.411747 O\n0.487906 0.477435 0.648156 O\n0.343999 0.317715 0.884547 O\n0.991024 0.014628 0.706999 O\n0.008585 0.008837 0.205923 O\n0.661238 0.174492 0.411354 O\n0.038413 0.481935 0.644730 O\n0.486533 0.037583 0.646794 O\n0.827492 0.830324 0.914081 O\n0.176596 0.175207 0.413692 O\n0.513911 0.960584 0.147518 O\n0.960235 0.514515 0.146142 O\n0.657625 0.657573 0.384708 O\n0.341799 0.831868 0.910907 O\n0.514148 0.514831 0.141810 O\n0.828851 0.343225 0.910663 O\n",
"nsites": 28,
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"O"
],
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"volume": 305.1425887530632,
"volume_molar": 6.56289864764907,
"formula_full": "Li4 Mn3 Co3 Te2 O16",
"formula_reduced": "Li4Mn3Co3(TeO8)2",
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"energy": -193.01346608,
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