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{
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"results": [
{
"id": "mp-1174697",
"created_at": "2022-09-04T14:41:34.311275Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n2.972776 0.000000 0.000000\n0.133168 8.083205 0.000000\n0.793425 2.141355 10.394229\nLi Mn Co O\n8 2 4 14\ndirect\n0.146778 0.063219 0.709915 Li\n0.852038 0.930488 0.286763 Li\n0.579793 0.789169 0.849736 Li\n0.711625 0.353612 0.570953 Li\n0.426591 0.215436 0.145376 Li\n0.292618 0.648499 0.427614 Li\n0.994147 0.500065 0.004443 Li\n0.705275 0.861039 0.576681 Li\n0.001907 0.999312 0.999628 Mn\n0.146743 0.580307 0.710119 Mn\n0.427272 0.711751 0.145252 Co\n0.856053 0.426693 0.286595 Co\n0.583443 0.285918 0.854237 Co\n0.279273 0.131784 0.433399 Co\n0.595981 0.046284 0.860243 O\n0.291258 0.918781 0.424573 O\n0.023480 0.752983 0.009402 O\n0.167610 0.329897 0.722995 O\n0.878241 0.190283 0.292442 O\n0.683224 0.602297 0.587637 O\n0.449609 0.473452 0.149875 O\n0.692901 0.112530 0.558824 O\n0.403165 0.953096 0.139700 O\n0.133736 0.803615 0.717359 O\n0.263903 0.377006 0.420519 O\n0.978583 0.246626 0.992662 O\n0.832244 0.666131 0.282652 O\n0.602510 0.529728 0.840407 O\n",
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"elements": [
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"Co",
"O"
],
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"density": 4.156045711890881,
"density_atomic": 0.1121037063210727,
"volume": 249.7687268234119,
"volume_molar": 5.371937251344908,
"formula_full": "Li8 Mn2 Co4 O14",
"formula_reduced": "Li4MnCo2O7",
"formula_anonymous": "AB2C4D7",
"energy": -182.416114,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:35:25.452000Z",
"spacegroup": 1
},
{
"id": "mp-757358",
"created_at": "2022-09-04T14:44:27.729181Z",
"structure_string": "Li4 Mn4 P4 O20\n1.0\n10.249253 0.000000 0.000000\n0.000000 4.967144 0.000000\n0.000000 2.747946 6.668428\nLi Mn P O\n4 4 4 20\ndirect\n0.403218 0.960455 0.666268 Li\n0.903218 0.039545 0.833732 Li\n0.096782 0.960455 0.166268 Li\n0.596782 0.039545 0.333732 Li\n0.571457 0.446329 0.680655 Mn\n0.071457 0.553671 0.819345 Mn\n0.928543 0.446329 0.180655 Mn\n0.428543 0.553671 0.319345 Mn\n0.150783 0.191209 0.529515 P\n0.349217 0.191209 0.029515 P\n0.650783 0.808791 0.970485 P\n0.849217 0.808791 0.470485 P\n0.719084 0.646569 0.524050 O\n0.188525 0.864778 0.644323 O\n0.538423 0.267514 0.500078 O\n0.925707 0.782515 0.663405 O\n0.067197 0.302970 0.663123 O\n0.425707 0.217485 0.836595 O\n0.688525 0.135222 0.855677 O\n0.219084 0.353431 0.975950 O\n0.567197 0.697030 0.836877 O\n0.961577 0.267514 0.000078 O\n0.038423 0.732486 0.999922 O\n0.432803 0.302970 0.163123 O\n0.780916 0.646569 0.024050 O\n0.311475 0.864778 0.144323 O\n0.574293 0.782515 0.163405 O\n0.932803 0.697030 0.336877 O\n0.074293 0.217485 0.336595 O\n0.461577 0.732486 0.499922 O\n0.811475 0.135222 0.355677 O\n0.280916 0.353431 0.475950 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"Mn",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P",
"density": 3.381859470958977,
"density_atomic": 0.09426002435370799,
"volume": 339.48643891625716,
"volume_molar": 6.388859753952632,
"formula_full": "Li4 Mn4 P4 O20",
"formula_reduced": "LiMnPO5",
"formula_anonymous": "ABCD5",
"energy": -240.05826763,
"energy_per_atom": -7.5018208634375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -219.64626763,
"band_gap": 0.9972,
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"is_magnetic": true,
"total_magnetization": 12.000311,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:39.097000Z",
"spacegroup": 14
},
{
"id": "mp-1047626",
"created_at": "2022-09-04T14:46:11.060426Z",
"structure_string": "Mg2 Mo4 O8\n1.0\n1.559076 -5.176086 0.000000\n1.559076 5.176086 0.000000\n0.000000 0.000000 10.336547\nMg Mo O\n2 4 8\ndirect\n0.607957 0.392043 0.750000 Mg\n0.392043 0.607957 0.250000 Mg\n0.132356 0.867644 0.073774 Mo\n0.867644 0.132356 0.926226 Mo\n0.132356 0.867644 0.426226 Mo\n0.867644 0.132356 0.573774 Mo\n0.771607 0.228393 0.383643 O\n0.228393 0.771607 0.616357 O\n0.228393 0.771607 0.883643 O\n0.771607 0.228393 0.116357 O\n0.022802 0.977198 0.250000 O\n0.977198 0.022802 0.750000 O\n0.500000 0.500000 0.000000 O\n0.500000 0.500000 0.500000 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Mg",
"Mo",
"O"
],
"chemical_system": "Mg-Mo-O",
"density": 5.577582530640148,
"density_atomic": 0.08391774142344219,
"volume": 166.8300381126456,
"volume_molar": 7.176242660789404,
"formula_full": "Mg2 Mo4 O8",
"formula_reduced": "Mg(MoO2)2",
"formula_anonymous": "AB2C4",
"energy": -114.66620907,
"energy_per_atom": -8.190443505,
"energy_above_hull": null,
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"energy_uncorrected": -96.36220907,
"band_gap": 1.3041999999999998,
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"is_magnetic": true,
"total_magnetization": 12.0003098,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:18.554000Z",
"spacegroup": 63
},
{
"id": "mp-1199252",
"created_at": "2022-09-04T14:47:19.181843Z",
"structure_string": "Mn4 C8 O24\n1.0\n0.000000 -7.422423 0.000000\n-7.428622 0.000000 1.211331\n0.094665 0.000000 -8.930786\nMn C O\n4 8 24\ndirect\n0.500000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n0.655759 0.829362 0.179298 C\n0.155759 0.170638 0.320702 C\n0.344241 0.170638 0.820702 C\n0.844241 0.829362 0.679298 C\n0.236520 0.676891 0.005642 C\n0.736520 0.323109 0.494358 C\n0.763480 0.323109 0.994358 C\n0.263480 0.676891 0.505642 C\n0.615939 0.949982 0.294701 O\n0.115939 0.050018 0.205299 O\n0.384061 0.050018 0.705299 O\n0.884061 0.949982 0.794701 O\n0.751694 0.872407 0.073408 O\n0.251694 0.127593 0.426592 O\n0.248306 0.127593 0.926592 O\n0.748306 0.872407 0.573408 O\n0.255299 0.547603 0.084929 O\n0.755299 0.452397 0.415071 O\n0.744701 0.452397 0.915071 O\n0.244701 0.547603 0.584929 O\n0.086250 0.755003 0.999068 O\n0.586250 0.244997 0.500932 O\n0.913750 0.244997 0.000932 O\n0.413750 0.755003 0.499068 O\n0.117719 0.708023 0.431980 O\n0.617719 0.291977 0.068020 O\n0.882281 0.291977 0.568020 O\n0.382281 0.708023 0.931980 O\n0.598935 0.664208 0.172762 O\n0.098935 0.335792 0.327238 O\n0.401065 0.335792 0.827238 O\n0.901065 0.664208 0.672762 O\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Mn",
"C",
"O"
],
"chemical_system": "C-Mn-O",
"density": 2.363987644900181,
"density_atomic": 0.07323356199770624,
"volume": 491.5778915837463,
"volume_molar": 8.223197937837055,
"formula_full": "Mn4 C8 O24",
"formula_reduced": "Mn(CO3)2",
"formula_anonymous": "AB2C6",
"energy": -289.36143616000004,
"energy_per_atom": -8.037817671111112,
"energy_above_hull": null,
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"energy_uncorrected": -266.20143616,
"band_gap": 0.0094,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:02.684000Z",
"spacegroup": 14
},
{
"id": "mp-1043844",
"created_at": "2022-09-04T14:42:26.609260Z",
"structure_string": "La2 Mg2 V2 Fe2 O12\n1.0\n5.478279 0.000000 0.000000\n0.000000 5.366374 0.000000\n0.000000 5.376333 7.754009\nLa Mg V Fe O\n2 2 2 2 12\ndirect\n0.209076 0.744445 0.249560 La\n0.790924 0.744445 0.749560 La\n0.695217 0.269751 0.255054 Mg\n0.304783 0.269751 0.755054 Mg\n0.744234 0.502383 0.499260 V\n0.255766 0.502383 0.999260 V\n0.750400 0.000590 0.001022 Fe\n0.249600 0.000590 0.501022 Fe\n0.229335 0.881257 0.751633 O\n0.053200 0.248615 0.940636 O\n0.042730 0.621649 0.558754 O\n0.957270 0.621649 0.058754 O\n0.946800 0.248615 0.440636 O\n0.770665 0.881257 0.251633 O\n0.702635 0.173557 0.747213 O\n0.525272 0.718579 0.554180 O\n0.512329 0.339175 0.942686 O\n0.487671 0.339175 0.442686 O\n0.474728 0.718579 0.054180 O\n0.297365 0.173557 0.247213 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"La",
"Mg",
"V",
"Fe",
"O"
],
"chemical_system": "Fe-La-Mg-O-V",
"density": 5.332132433279185,
"density_atomic": 0.08773615783057868,
"volume": 227.9561869875888,
"volume_molar": 6.863921225760701,
"formula_full": "La2 Mg2 V2 Fe2 O12",
"formula_reduced": "LaMgVFeO6",
"formula_anonymous": "ABCDE6",
"energy": -161.99445773000002,
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"energy_above_hull": null,
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"band_gap": 1.0225,
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"updated_at": "2021-11-28T01:35:44.055000Z",
"spacegroup": 7
},
{
"id": "mp-759898",
"created_at": "2022-09-04T14:45:00.996721Z",
"structure_string": "Li8 Co4 C8 O24\n1.0\n9.685831 0.000000 0.000000\n0.000000 7.576597 0.000000\n0.000000 2.746090 7.444352\nLi Co C O\n8 4 8 24\ndirect\n0.630700 0.434967 0.234690 Li\n0.676751 0.077950 0.102168 Li\n0.130700 0.565033 0.765310 Li\n0.176751 0.922050 0.897832 Li\n0.866895 0.025442 0.702430 Li\n0.372654 0.282617 0.406503 Li\n0.872654 0.717383 0.593497 Li\n0.366895 0.974558 0.297570 Li\n0.387042 0.809057 0.684828 Co\n0.887042 0.190943 0.315172 Co\n0.128537 0.325198 0.183537 Co\n0.628537 0.674802 0.816463 Co\n0.393147 0.454361 0.007040 C\n0.893147 0.545639 0.992960 C\n0.989277 0.076302 0.022397 C\n0.489277 0.923698 0.977603 C\n0.503343 0.580853 0.504958 C\n0.003343 0.419147 0.495042 C\n0.121343 0.963297 0.523863 C\n0.621343 0.036703 0.476137 C\n0.334189 0.342560 0.150715 O\n0.821892 0.458449 0.135648 O\n0.025979 0.523020 0.988135 O\n0.525979 0.476980 0.011865 O\n0.321892 0.541551 0.864352 O\n0.834189 0.657440 0.849285 O\n0.877501 0.099077 0.106019 O\n0.108368 0.132196 0.059874 O\n0.483143 0.004384 0.095370 O\n0.983143 0.995616 0.904630 O\n0.608368 0.867804 0.940126 O\n0.377501 0.900923 0.893981 O\n0.603278 0.567773 0.618372 O\n0.002493 0.522082 0.593689 O\n0.401410 0.700439 0.489802 O\n0.901410 0.299561 0.510198 O\n0.502493 0.477918 0.406311 O\n0.103278 0.432227 0.381628 O\n0.173039 0.845426 0.671348 O\n0.488085 0.040017 0.499552 O\n0.701996 0.921142 0.591779 O\n0.201996 0.078858 0.408221 O\n0.988085 0.959983 0.500448 O\n0.673039 0.154574 0.328652 O\n",
"nsites": 44,
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],
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"density_atomic": 0.080540570481862,
"volume": 546.3085217394747,
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"formula_full": "Li8 Co4 C8 O24",
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"formula_anonymous": "AB2C2D6",
"energy": -319.27483854,
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"updated_at": "2021-11-28T01:36:53.223000Z",
"spacegroup": 4
},
{
"id": "mp-772433",
"created_at": "2022-09-04T14:46:07.142197Z",
"structure_string": "Li8 Cr4 B20 O40\n1.0\n15.616304 0.000000 0.000000\n0.000000 7.133189 0.000000\n0.000000 0.022908 7.148313\nLi Cr B O\n8 4 20 40\ndirect\n0.166935 0.002065 0.901536 Li\n0.333065 0.502065 0.901536 Li\n0.923422 0.410692 0.694867 Li\n0.576578 0.910692 0.694867 Li\n0.423422 0.089308 0.305133 Li\n0.076578 0.589308 0.305133 Li\n0.666935 0.497935 0.098464 Li\n0.833065 0.997935 0.098464 Li\n0.124533 0.470007 0.844494 Cr\n0.375467 0.970007 0.844494 Cr\n0.624533 0.029993 0.155506 Cr\n0.875467 0.529993 0.155506 Cr\n0.024045 0.092935 0.793196 B\n0.475955 0.592935 0.793196 B\n0.774109 0.476661 0.784326 B\n0.725891 0.976661 0.784326 B\n0.504954 0.262129 0.750561 B\n0.995046 0.762129 0.750561 B\n0.620838 0.493972 0.679309 B\n0.879162 0.993972 0.679309 B\n0.258429 0.499640 0.546986 B\n0.241571 0.999640 0.546986 B\n0.758429 0.000360 0.453014 B\n0.741571 0.500360 0.453014 B\n0.120838 0.006028 0.320691 B\n0.379162 0.506028 0.320691 B\n0.004954 0.237871 0.249439 B\n0.495046 0.737871 0.249439 B\n0.274109 0.023339 0.215674 B\n0.225891 0.523339 0.215674 B\n0.524045 0.407065 0.206804 B\n0.975955 0.907065 0.206804 B\n0.838099 0.457629 0.912087 O\n0.661901 0.957629 0.912087 O\n0.085682 0.217949 0.843700 O\n0.414318 0.717949 0.843700 O\n0.810247 0.004657 0.828596 O\n0.452605 0.403557 0.826049 O\n0.689753 0.504657 0.828596 O\n0.047395 0.903557 0.826049 O\n0.478305 0.077688 0.746235 O\n0.021695 0.577688 0.746235 O\n0.234086 0.495926 0.732114 O\n0.946047 0.139211 0.719596 O\n0.265914 0.995926 0.732114 O\n0.553953 0.639211 0.719596 O\n0.583064 0.305692 0.681164 O\n0.916936 0.805692 0.681164 O\n0.801190 0.463113 0.595832 O\n0.698810 0.963113 0.595832 O\n0.341677 0.468453 0.503735 O\n0.841677 0.031547 0.496265 O\n0.158323 0.968453 0.503735 O\n0.658323 0.531547 0.496265 O\n0.301190 0.036887 0.404168 O\n0.198810 0.536887 0.404168 O\n0.083064 0.194308 0.318836 O\n0.416936 0.694308 0.318836 O\n0.446047 0.360789 0.280404 O\n0.734086 0.004074 0.267886 O\n0.053953 0.860789 0.280404 O\n0.765914 0.504074 0.267886 O\n0.978305 0.422312 0.253765 O\n0.521695 0.922312 0.253765 O\n0.952605 0.096443 0.173951 O\n0.310247 0.495343 0.171404 O\n0.547395 0.596443 0.173951 O\n0.189753 0.995343 0.171404 O\n0.585682 0.282051 0.156300 O\n0.914318 0.782051 0.156300 O\n0.338099 0.042371 0.087913 O\n0.161901 0.542371 0.087913 O\n",
"nsites": 72,
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"elements": [
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"B",
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],
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"density": 2.3350086154167498,
"density_atomic": 0.09042050952866394,
"volume": 796.2795208223804,
"volume_molar": 6.660149109302397,
"formula_full": "Li8 Cr4 B20 O40",
"formula_reduced": "Li2Cr(BO2)5",
"formula_anonymous": "AB2C5D10",
"energy": -578.2057113399999,
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"spacegroup": 14
},
{
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