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{
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"results": [
{
"id": "mp-761016",
"created_at": "2022-09-04T14:44:04.821288Z",
"structure_string": "Na2 Mn2 P2 C2 O14\n1.0\n5.158492 0.000000 0.000000\n-0.172110 6.191394 0.000000\n-0.262831 -0.292752 9.427246\nNa Mn P C O\n2 2 2 2 14\ndirect\n0.252842 0.051838 0.769975 Na\n0.747158 0.948162 0.230025 Na\n0.784291 0.752280 0.649586 Mn\n0.215709 0.247720 0.350414 Mn\n0.721338 0.243499 0.562111 P\n0.278662 0.756501 0.437889 P\n0.708097 0.750544 0.900522 C\n0.291903 0.249456 0.099478 C\n0.335386 0.241725 0.972137 O\n0.939500 0.766677 0.844110 O\n0.525972 0.727582 0.797645 O\n0.833120 0.448351 0.640561 O\n0.753386 0.065282 0.674907 O\n0.128806 0.811015 0.572548 O\n0.427285 0.255916 0.524953 O\n0.572715 0.744084 0.475047 O\n0.871194 0.188985 0.427452 O\n0.246614 0.934718 0.325093 O\n0.166880 0.551649 0.359439 O\n0.474028 0.272418 0.202355 O\n0.060500 0.233323 0.155890 O\n0.664614 0.758275 0.027863 O\n",
"nsites": 22,
"nelements": 5,
"elements": [
"Na",
"Mn",
"P",
"C",
"O"
],
"chemical_system": "C-Mn-Na-O-P",
"density": 2.569020667653197,
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"volume": 301.08980006213187,
"volume_molar": 8.24184162442916,
"formula_full": "Na2 Mn2 P2 C2 O14",
"formula_reduced": "NaMnPCO7",
"formula_anonymous": "ABCDE7",
"energy": -167.53012272,
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"updated_at": "2021-11-28T01:36:23.569000Z",
"spacegroup": 2
},
{
"id": "mp-770078",
"created_at": "2022-09-04T14:43:45.258110Z",
"structure_string": "Li4 Mn4 P4 C4 O28\n1.0\n6.244345 0.000000 0.000000\n0.000000 9.485604 0.000000\n0.000000 4.845936 8.979383\nLi Mn P C O\n4 4 4 4 28\ndirect\n0.467998 0.261322 0.495400 Li\n0.032002 0.261322 0.995400 Li\n0.532002 0.738678 0.504600 Li\n0.967998 0.738678 0.004600 Li\n0.749348 0.329153 0.688470 Mn\n0.750652 0.329153 0.188470 Mn\n0.250652 0.670847 0.311530 Mn\n0.249348 0.670847 0.811530 Mn\n0.250389 0.424807 0.676113 P\n0.249611 0.424807 0.176113 P\n0.749611 0.575193 0.323887 P\n0.750389 0.575193 0.823887 P\n0.741605 0.047940 0.371501 C\n0.758395 0.047940 0.871501 C\n0.258395 0.952060 0.628499 C\n0.241605 0.952060 0.128499 C\n0.743792 0.102317 0.726414 O\n0.756208 0.102317 0.226414 O\n0.266601 0.093729 0.533207 O\n0.735064 0.170374 0.401355 O\n0.233399 0.093729 0.033207 O\n0.764936 0.170374 0.901355 O\n0.053748 0.324489 0.681288 O\n0.440507 0.312332 0.689316 O\n0.059493 0.312332 0.189316 O\n0.446252 0.324489 0.181288 O\n0.727751 0.414787 0.469300 O\n0.259966 0.463049 0.308969 O\n0.772249 0.414787 0.969300 O\n0.240034 0.463049 0.808969 O\n0.740034 0.536951 0.691031 O\n0.272249 0.585213 0.530700 O\n0.759966 0.536951 0.191031 O\n0.227751 0.585213 0.030700 O\n0.946252 0.675511 0.318712 O\n0.559493 0.687668 0.310684 O\n0.553748 0.675511 0.818712 O\n0.940507 0.687668 0.810684 O\n0.264936 0.829626 0.598645 O\n0.733399 0.906271 0.466793 O\n0.235064 0.829626 0.098645 O\n0.766601 0.906271 0.966793 O\n0.256208 0.897683 0.273586 O\n0.243792 0.897683 0.773586 O\n",
"nsites": 44,
"nelements": 5,
"elements": [
"Li",
"Mn",
"P",
"C",
"O"
],
"chemical_system": "C-Li-Mn-O-P",
"density": 2.7082501666571095,
"density_atomic": 0.08272833821604277,
"volume": 531.8612817423603,
"volume_molar": 7.279417053287527,
"formula_full": "Li4 Mn4 P4 C4 O28",
"formula_reduced": "LiMnPCO7",
"formula_anonymous": "ABCDE7",
"energy": -337.29348829,
"energy_per_atom": -7.665761097500001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -311.38548829,
"band_gap": 0.4956,
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"is_magnetic": true,
"total_magnetization": 12.0024336,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:15.625000Z",
"spacegroup": 14
},
{
"id": "mp-768815",
"created_at": "2022-09-04T14:43:47.817609Z",
"structure_string": "Na2 Sb2 As2 C2 O14\n1.0\n6.917536 0.000000 0.000000\n0.000000 5.674363 0.000000\n0.000000 0.164647 9.402215\nNa Sb As C O\n2 2 2 2 14\ndirect\n0.508645 0.763580 0.791304 Na\n0.008645 0.236420 0.208696 Na\n0.240384 0.206273 0.657356 Sb\n0.740384 0.793727 0.342644 Sb\n0.746797 0.283051 0.571656 As\n0.246797 0.716949 0.428344 As\n0.257258 0.276848 0.925400 C\n0.757258 0.723152 0.074600 C\n0.744254 0.690440 0.946516 O\n0.255543 0.062610 0.864557 O\n0.270291 0.451308 0.825934 O\n0.940373 0.205403 0.679135 O\n0.548428 0.179489 0.665746 O\n0.263606 0.844854 0.594121 O\n0.726572 0.585791 0.541645 O\n0.226572 0.414209 0.458355 O\n0.763606 0.155146 0.405879 O\n0.048428 0.820511 0.334254 O\n0.440373 0.794597 0.320865 O\n0.770291 0.548692 0.174066 O\n0.755543 0.937390 0.135443 O\n0.244254 0.309560 0.053484 O\n",
"nsites": 22,
"nelements": 5,
"elements": [
"Na",
"Sb",
"As",
"C",
"O"
],
"chemical_system": "As-C-Na-O-Sb",
"density": 3.092658305846771,
"density_atomic": 0.0596106640629236,
"volume": 369.0614816298192,
"volume_molar": 10.102455415767842,
"formula_full": "Na2 Sb2 As2 C2 O14",
"formula_reduced": "NaSbAsCO7",
"formula_anonymous": "ABCDE7",
"energy": -146.84365646999998,
"energy_per_atom": -6.674711657727272,
"energy_above_hull": null,
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"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.0034624,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:17.838000Z",
"spacegroup": 4
},
{
"id": "mp-1101475",
"created_at": "2022-09-04T14:42:57.553307Z",
"structure_string": "Na2 Si2 P2 C2 O14\n1.0\n6.036563 0.000000 0.000000\n0.000000 5.008150 0.000000\n0.000000 0.486092 9.536461\nNa Si P C O\n2 2 2 2 14\ndirect\n0.555273 0.775209 0.807055 Na\n0.055273 0.224791 0.192945 Na\n0.235956 0.222035 0.649236 Si\n0.735956 0.777965 0.350764 Si\n0.741551 0.265143 0.557035 P\n0.241551 0.734857 0.442965 P\n0.251022 0.295964 0.881939 C\n0.751022 0.704036 0.118061 C\n0.761581 0.662524 0.992915 O\n0.243072 0.057993 0.823498 O\n0.250140 0.481862 0.774844 O\n0.942263 0.215996 0.653524 O\n0.540554 0.208935 0.653544 O\n0.242845 0.917631 0.566962 O\n0.737891 0.562691 0.502196 O\n0.237891 0.437309 0.497804 O\n0.742845 0.082369 0.433038 O\n0.040554 0.791065 0.346456 O\n0.442263 0.784004 0.346476 O\n0.750140 0.518138 0.225156 O\n0.743072 0.942007 0.176502 O\n0.261581 0.337476 0.007085 O\n",
"nsites": 22,
"nelements": 5,
"elements": [
"Na",
"Si",
"P",
"C",
"O"
],
"chemical_system": "C-Na-O-P-Si",
"density": 2.373608385866963,
"density_atomic": 0.07630770257632911,
"volume": 288.30641281584684,
"volume_molar": 7.891917272671354,
"formula_full": "Na2 Si2 P2 C2 O14",
"formula_reduced": "NaSiPCO7",
"formula_anonymous": "ABCDE7",
"energy": -166.854742,
"energy_per_atom": -7.584306454545454,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -157.236742,
"band_gap": 5.337000000000001,
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"is_magnetic": false,
"total_magnetization": 1e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:00.955000Z",
"spacegroup": 4
},
{
"id": "mp-774606",
"created_at": "2022-09-04T14:41:53.467442Z",
"structure_string": "Na4 Mn4 P4 C4 O28\n1.0\n6.255156 0.000000 0.000000\n0.000000 9.080285 0.000000\n0.000000 0.341330 10.439759\nNa Mn P C O\n4 4 4 4 28\ndirect\n0.030453 0.240449 0.374291 Na\n0.469547 0.240449 0.874291 Na\n0.969547 0.759551 0.625709 Na\n0.530453 0.759551 0.125709 Na\n0.749878 0.342185 0.641389 Mn\n0.750122 0.342185 0.141389 Mn\n0.250122 0.657815 0.358611 Mn\n0.249878 0.657815 0.858611 Mn\n0.248800 0.432990 0.608627 P\n0.251200 0.432990 0.108627 P\n0.751200 0.567010 0.391373 P\n0.748800 0.567010 0.891373 P\n0.740248 0.077342 0.614795 C\n0.759752 0.077342 0.114795 C\n0.259752 0.922658 0.385205 C\n0.240248 0.922658 0.885205 C\n0.262443 0.056133 0.400126 O\n0.237557 0.056133 0.900126 O\n0.738836 0.142000 0.726193 O\n0.761164 0.142000 0.226193 O\n0.747002 0.178440 0.519954 O\n0.752998 0.178440 0.019954 O\n0.056341 0.328349 0.634323 O\n0.440918 0.333501 0.646917 O\n0.059082 0.333501 0.146917 O\n0.443659 0.328349 0.134323 O\n0.250794 0.475699 0.463117 O\n0.759732 0.425917 0.314364 O\n0.249206 0.475699 0.963117 O\n0.740268 0.425917 0.814364 O\n0.240268 0.574083 0.685636 O\n0.749206 0.524301 0.536883 O\n0.259732 0.574083 0.185636 O\n0.750794 0.524301 0.036883 O\n0.559082 0.666499 0.353083 O\n0.943659 0.671651 0.365677 O\n0.556341 0.671651 0.865677 O\n0.940918 0.666499 0.853083 O\n0.252998 0.821560 0.480046 O\n0.247002 0.821560 0.980046 O\n0.261164 0.858000 0.273807 O\n0.238836 0.858000 0.773807 O\n0.737557 0.943867 0.599874 O\n0.762443 0.943867 0.099874 O\n",
"nsites": 44,
"nelements": 5,
"elements": [
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"Mn",
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"C",
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],
"chemical_system": "C-Mn-Na-O-P",
"density": 2.6089486958564407,
"density_atomic": 0.07420353210709625,
"volume": 592.9636871799554,
"volume_molar": 8.115706340377951,
"formula_full": "Na4 Mn4 P4 C4 O28",
"formula_reduced": "NaMnPCO7",
"formula_anonymous": "ABCDE7",
"energy": -334.68928307,
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"updated_at": "2021-11-28T01:35:31.371000Z",
"spacegroup": 14
},
{
"id": "mp-768143",
"created_at": "2022-09-04T14:42:09.455748Z",
"structure_string": "Na2 Ge2 P2 C2 O14\n1.0\n6.320792 0.000000 0.000000\n0.000000 5.130517 0.000000\n0.000000 0.419691 8.974418\nNa Ge P C O\n2 2 2 2 14\ndirect\n0.522540 0.762392 0.775026 Na\n0.022540 0.237608 0.224974 Na\n0.235334 0.216585 0.660956 Ge\n0.735334 0.783415 0.339044 Ge\n0.744816 0.272943 0.564754 P\n0.244816 0.727057 0.435246 P\n0.256261 0.275690 0.920063 C\n0.756261 0.724310 0.079937 C\n0.759419 0.690016 0.945636 O\n0.251089 0.045054 0.855748 O\n0.255399 0.468178 0.811284 O\n0.937090 0.212857 0.665613 O\n0.550229 0.202436 0.661197 O\n0.253135 0.881752 0.579316 O\n0.736840 0.572171 0.518496 O\n0.236840 0.427829 0.481504 O\n0.753135 0.118248 0.420684 O\n0.050229 0.797564 0.338803 O\n0.437090 0.787143 0.334387 O\n0.755399 0.531822 0.188716 O\n0.751089 0.954946 0.144252 O\n0.259419 0.309984 0.054364 O\n",
"nsites": 22,
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"elements": [
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"O"
],
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"density": 2.859819479457906,
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"volume": 291.03078037720826,
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"formula_full": "Na2 Ge2 P2 C2 O14",
"formula_reduced": "NaGePCO7",
"formula_anonymous": "ABCDE7",
"energy": -159.09191302,
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"updated_at": "2021-11-28T01:35:32.227000Z",
"spacegroup": 4
},
{
"id": "mp-779262",
"created_at": "2022-09-04T14:43:01.771408Z",
"structure_string": "Li4 Fe4 P4 C4 O28\n1.0\n8.411918 0.021223 0.024901\n0.425758 5.125246 -0.002821\n0.038603 -0.010969 12.884041\nLi Fe P C O\n4 4 4 4 28\ndirect\n0.108451 0.770089 0.126282 Li\n0.281921 0.244656 0.727062 Li\n0.890219 0.230449 0.378066 Li\n0.890611 0.224920 0.876153 Li\n0.331721 0.805112 0.376299 Fe\n0.336796 0.801837 0.878864 Fe\n0.665757 0.196168 0.125686 Fe\n0.665539 0.200316 0.624663 Fe\n0.422255 0.726276 0.126316 P\n0.423426 0.732673 0.626226 P\n0.575129 0.276935 0.373371 P\n0.579313 0.276126 0.875022 P\n0.045684 0.703681 0.869370 C\n0.042787 0.707015 0.377224 C\n0.957471 0.292863 0.123988 C\n0.957020 0.286226 0.628623 C\n0.073706 0.949401 0.375722 O\n0.074592 0.947869 0.875046 O\n0.093048 0.378513 0.123842 O\n0.099753 0.334019 0.638207 O\n0.174363 0.537989 0.863965 O\n0.167836 0.538490 0.377646 O\n0.321438 0.793200 0.529773 O\n0.311958 0.795580 0.031680 O\n0.307459 0.795223 0.218679 O\n0.318781 0.833807 0.720044 O\n0.423410 0.130259 0.372521 O\n0.421698 0.140007 0.868375 O\n0.477095 0.431477 0.125557 O\n0.465865 0.431133 0.638967 O\n0.520479 0.571534 0.369543 O\n0.526745 0.572242 0.876730 O\n0.574485 0.871906 0.126653 O\n0.580833 0.867002 0.623086 O\n0.691122 0.204514 0.281512 O\n0.682411 0.218664 0.469322 O\n0.691784 0.208602 0.781693 O\n0.685438 0.196101 0.969168 O\n0.831088 0.459483 0.123503 O\n0.839856 0.467175 0.623835 O\n0.906611 0.624079 0.375948 O\n0.910863 0.617944 0.872097 O\n0.928158 0.049695 0.124428 O\n0.909211 0.053232 0.623250 O\n",
"nsites": 44,
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"elements": [
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"Fe",
"P",
"C",
"O"
],
"chemical_system": "C-Fe-Li-O-P",
"density": 2.6045519324280457,
"density_atomic": 0.07922933532814787,
"volume": 555.3498564359164,
"volume_molar": 7.600897742052001,
"formula_full": "Li4 Fe4 P4 C4 O28",
"formula_reduced": "LiFePCO7",
"formula_anonymous": "ABCDE7",
"energy": -329.56255152,
"energy_per_atom": -7.490057989090909,
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"updated_at": "2021-11-28T01:36:00.286000Z",
"spacegroup": 1
},
{
"id": "mp-770900",
"created_at": "2022-09-04T14:40:52.932118Z",
"structure_string": "Na2 Mn2 As2 C2 O14\n1.0\n6.439603 0.000000 0.000000\n0.000000 5.398543 0.000000\n0.000000 0.475171 9.275369\nNa Mn As C O\n2 2 2 2 14\ndirect\n0.519499 0.765139 0.774694 Na\n0.019499 0.234861 0.225306 Na\n0.241896 0.212374 0.662303 Mn\n0.741896 0.787626 0.337697 Mn\n0.747818 0.280479 0.564282 As\n0.247818 0.719521 0.435718 As\n0.253775 0.275757 0.918813 C\n0.753775 0.724243 0.081187 C\n0.751644 0.691211 0.951228 O\n0.251468 0.057237 0.860860 O\n0.256417 0.455951 0.815821 O\n0.946902 0.208130 0.681750 O\n0.544108 0.197853 0.676332 O\n0.256055 0.873004 0.591673 O\n0.732567 0.596010 0.521800 O\n0.232567 0.403990 0.478200 O\n0.756055 0.126996 0.408327 O\n0.044108 0.802147 0.323668 O\n0.446902 0.791870 0.318250 O\n0.756417 0.544049 0.184179 O\n0.751468 0.942763 0.139140 O\n0.251644 0.308789 0.048772 O\n",
"nsites": 22,
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"elements": [
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"Mn",
"As",
"C",
"O"
],
"chemical_system": "As-C-Mn-Na-O",
"density": 2.851451857513523,
"density_atomic": 0.06822692936718337,
"volume": 322.4533216437237,
"volume_molar": 8.82663314303663,
"formula_full": "Na2 Mn2 As2 C2 O14",
"formula_reduced": "NaMnAsCO7",
"formula_anonymous": "ABCDE7",
"energy": -158.15476883,
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"updated_at": "2021-11-28T01:35:00.369000Z",
"spacegroup": 4
},
{
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{
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"structure_string": "Li2 Fe2 P2 C2 O14\n1.0\n6.430133 0.000000 0.000000\n0.000000 5.202948 0.000000\n0.000000 0.864404 8.410943\nLi Fe P C O\n2 2 2 2 14\ndirect\n0.250000 0.771757 0.111507 Li\n0.750000 0.228243 0.888493 Li\n0.750000 0.800589 0.334090 Fe\n0.250000 0.199411 0.665910 Fe\n0.250000 0.734894 0.423639 P\n0.750000 0.265106 0.576361 P\n0.750000 0.702457 0.044096 C\n0.250000 0.297543 0.955904 C\n0.750000 0.943496 0.068959 O\n0.250000 0.385291 0.089516 O\n0.750000 0.539346 0.172331 O\n0.062550 0.800529 0.310547 O\n0.437450 0.800529 0.310547 O\n0.750000 0.117351 0.428058 O\n0.250000 0.443362 0.481173 O\n0.750000 0.556638 0.518827 O\n0.250000 0.882649 0.571942 O\n0.562550 0.199471 0.689453 O\n0.937450 0.199471 0.689453 O\n0.250000 0.460654 0.827669 O\n0.750000 0.614709 0.910484 O\n0.250000 0.056504 0.931041 O\n",
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{
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{
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]
}