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{
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"results": [
{
"id": "mp-759056",
"created_at": "2022-09-04T14:46:09.599376Z",
"structure_string": "Li8 Ti4 Mn6 O20\n1.0\n-6.626932 0.000000 0.000000\n-0.121643 -8.021328 0.000000\n3.194831 1.108613 7.351345\nLi Ti Mn O\n8 4 6 20\ndirect\n0.598500 0.208209 0.769072 Li\n0.308613 0.092794 0.403730 Li\n0.749939 0.257038 0.484938 Li\n0.250061 0.742962 0.515062 Li\n0.691387 0.907206 0.596270 Li\n0.401500 0.791791 0.230928 Li\n0.816822 0.573445 0.399285 Li\n0.183178 0.426555 0.600715 Li\n0.845301 0.945610 0.317868 Ti\n0.154699 0.054390 0.682132 Ti\n0.334410 0.433250 0.320228 Ti\n0.665590 0.566750 0.679772 Ti\n0.464286 0.151872 0.108219 Mn\n0.535714 0.848128 0.891781 Mn\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.000000 Mn\n0.960302 0.644555 0.112327 Mn\n0.039698 0.355445 0.887673 Mn\n0.286885 0.951008 0.937167 O\n0.409667 0.988219 0.652365 O\n0.590333 0.011781 0.347635 O\n0.900240 0.133250 0.766170 O\n0.025980 0.145815 0.461552 O\n0.713115 0.048992 0.062833 O\n0.410869 0.628248 0.763490 O\n0.211104 0.220359 0.165362 O\n0.527233 0.651907 0.457676 O\n0.788896 0.779641 0.834638 O\n0.704633 0.722384 0.163783 O\n0.974020 0.854185 0.538448 O\n0.295367 0.277616 0.836217 O\n0.099760 0.866750 0.233830 O\n0.782519 0.445517 0.926787 O\n0.472767 0.348093 0.542324 O\n0.589131 0.371752 0.236510 O\n0.902839 0.473825 0.643613 O\n0.097161 0.526175 0.356387 O\n0.217481 0.554483 0.073213 O\n",
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"formula_full": "Li8 Ti4 Mn6 O20",
"formula_reduced": "Li4Ti2Mn3O10",
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"updated_at": "2021-11-28T01:37:25.579000Z",
"spacegroup": 2
},
{
"id": "mp-780524",
"created_at": "2022-09-04T14:45:56.988686Z",
"structure_string": "Li2 Mn6 B6 O18\n1.0\n5.330031 0.000000 0.000000\n0.184764 5.904883 0.000000\n2.063747 1.351910 11.804189\nLi Mn B O\n2 6 6 18\ndirect\n0.703897 0.072404 0.767217 Li\n0.296103 0.927596 0.232783 Li\n0.291899 0.900874 0.647187 Mn\n0.624087 0.256457 0.994958 Mn\n0.931863 0.588445 0.330783 Mn\n0.375913 0.743543 0.005042 Mn\n0.708101 0.099126 0.352813 Mn\n0.068137 0.411555 0.669217 Mn\n0.523462 0.519605 0.779184 B\n0.153408 0.126165 0.879978 B\n0.476538 0.480395 0.220816 B\n0.846592 0.873835 0.120022 B\n0.183709 0.179366 0.442618 B\n0.816291 0.820634 0.557382 B\n0.298626 0.614669 0.745920 O\n0.684603 0.395686 0.710737 O\n0.095974 0.101278 0.773108 O\n0.557623 0.538302 0.890414 O\n0.992979 0.233543 0.956514 O\n0.397599 0.046663 0.902754 O\n0.701374 0.385331 0.254080 O\n0.442377 0.461698 0.109586 O\n0.315397 0.604314 0.289263 O\n0.007021 0.766457 0.043486 O\n0.904026 0.898722 0.226892 O\n0.602401 0.953337 0.097246 O\n0.949894 0.270027 0.421689 O\n0.341521 0.080018 0.359616 O\n0.756503 0.812852 0.450053 O\n0.243497 0.187148 0.549947 O\n0.658479 0.919982 0.640384 O\n0.050106 0.729973 0.578311 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"Mn",
"B",
"O"
],
"chemical_system": "B-Li-Mn-O",
"density": 3.112498416868653,
"density_atomic": 0.08613363824895076,
"volume": 371.5157126825513,
"volume_molar": 6.991624738518878,
"formula_full": "Li2 Mn6 B6 O18",
"formula_reduced": "LiMn3(BO3)3",
"formula_anonymous": "AB3C3D9",
"energy": -264.41147053000003,
"energy_per_atom": -8.262858454062501,
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"updated_at": "2021-11-28T01:37:10.738000Z",
"spacegroup": 2
},
{
"id": "mp-1205143",
"created_at": "2022-09-04T14:42:45.953632Z",
"structure_string": "Mn10 As4 O32\n1.0\n16.802299 0.000000 0.000000\n0.000000 5.237561 0.000000\n0.000000 1.137548 6.441230\nMn As O\n10 4 32\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.067087 0.529101 0.817032 Mn\n0.567087 0.470899 0.682968 Mn\n0.932913 0.470899 0.182968 Mn\n0.432913 0.529101 0.317032 Mn\n0.129523 0.033065 0.673327 Mn\n0.629523 0.966935 0.826673 Mn\n0.870477 0.966935 0.326673 Mn\n0.370477 0.033065 0.173327 Mn\n0.128595 0.626324 0.323973 As\n0.628595 0.373676 0.176027 As\n0.871405 0.373676 0.676027 As\n0.371405 0.626324 0.823973 As\n0.042829 0.656128 0.145536 O\n0.542829 0.343872 0.354464 O\n0.957171 0.343872 0.854464 O\n0.457171 0.656128 0.645536 O\n0.095329 0.393278 0.530794 O\n0.595329 0.606722 0.969206 O\n0.904671 0.606722 0.469206 O\n0.404671 0.393278 0.030794 O\n0.129900 0.918635 0.404563 O\n0.629900 0.081365 0.095437 O\n0.870100 0.081365 0.595437 O\n0.370100 0.918635 0.904563 O\n0.204109 0.551111 0.176857 O\n0.704109 0.448889 0.323143 O\n0.795891 0.448889 0.823143 O\n0.295891 0.551111 0.676857 O\n0.021351 0.868299 0.746245 O\n0.521351 0.131701 0.753755 O\n0.978649 0.131701 0.253755 O\n0.478649 0.868299 0.246245 O\n0.101069 0.172391 0.922149 O\n0.601069 0.827609 0.577851 O\n0.898931 0.827609 0.077851 O\n0.398931 0.172391 0.422149 O\n0.163884 0.717328 0.811061 O\n0.663884 0.282672 0.688939 O\n0.836116 0.282672 0.188939 O\n0.336116 0.717328 0.311061 O\n0.264791 0.130706 0.159723 O\n0.764791 0.869294 0.340277 O\n0.735209 0.869294 0.840277 O\n0.235209 0.130706 0.659723 O\n",
"nsites": 46,
"nelements": 3,
"elements": [
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"As",
"O"
],
"chemical_system": "As-Mn-O",
"density": 3.9870879674157407,
"density_atomic": 0.08115050407284162,
"volume": 566.8479885067611,
"volume_molar": 7.420952991979516,
"formula_full": "Mn10 As4 O32",
"formula_reduced": "Mn5(AsO8)2",
"formula_anonymous": "A2B5C16",
"energy": -332.54819854,
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"updated_at": "2021-11-28T01:35:51.770000Z",
"spacegroup": 14
},
{
"id": "mp-1100493",
"created_at": "2022-09-04T14:47:00.939248Z",
"structure_string": "Li9 Mn7 O16\n1.0\n1.439965 10.452400 0.000000\n-1.439965 10.452400 0.000000\n0.000000 3.956453 9.957817\nLi Mn O\n9 7 16\ndirect\n0.623444 0.623444 0.567662 Li\n0.877889 0.877889 0.181337 Li\n0.122111 0.122111 0.818663 Li\n0.127076 0.127076 0.306149 Li\n0.379123 0.379123 0.936668 Li\n0.620877 0.620877 0.063332 Li\n0.872924 0.872924 0.693851 Li\n0.376556 0.376556 0.432338 Li\n0.500000 0.500000 0.000000 Li\n0.996618 0.996618 0.764528 Mn\n0.003382 0.003382 0.235472 Mn\n0.249962 0.249962 0.374953 Mn\n0.750038 0.750038 0.625047 Mn\n0.248094 0.248094 0.876824 Mn\n0.500000 0.500000 0.500000 Mn\n0.751906 0.751906 0.123176 Mn\n0.556226 0.556226 0.776690 O\n0.808316 0.808316 0.397944 O\n0.055723 0.055723 0.056781 O\n0.053041 0.053041 0.542284 O\n0.310122 0.310122 0.147882 O\n0.556705 0.556705 0.276744 O\n0.806941 0.806941 0.897271 O\n0.309222 0.309222 0.647174 O\n0.690778 0.690778 0.352826 O\n0.944277 0.944277 0.943219 O\n0.191684 0.191684 0.602056 O\n0.193059 0.193059 0.102729 O\n0.443295 0.443295 0.723256 O\n0.689878 0.689878 0.852118 O\n0.946959 0.946959 0.457716 O\n0.443774 0.443774 0.223310 O\n",
"nsites": 32,
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"elements": [
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"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 3.8945583439475397,
"density_atomic": 0.10675491631319181,
"volume": 299.75200304705527,
"volume_molar": 5.641089860754112,
"formula_full": "Li9 Mn7 O16",
"formula_reduced": "Li9Mn7O16",
"formula_anonymous": "A7B9C16",
"energy": -228.48803141,
"energy_per_atom": -7.1402509815625,
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"updated_at": "2021-11-28T01:37:54.223000Z",
"spacegroup": 12
},
{
"id": "mp-1100480",
"created_at": "2022-09-04T14:42:46.973427Z",
"structure_string": "Li9 Mn7 O16\n1.0\n2.869211 0.000000 0.000000\n1.434606 19.507259 0.751688\n0.000000 -0.148526 5.398570\nLi Mn O\n9 7 16\ndirect\n0.440220 0.119560 0.181662 Li\n0.312713 0.374575 0.562890 Li\n0.187326 0.625349 0.937820 Li\n0.059355 0.881289 0.317299 Li\n0.940645 0.118711 0.682701 Li\n0.812674 0.374651 0.062180 Li\n0.687287 0.625425 0.437110 Li\n0.559780 0.880440 0.818338 Li\n0.500000 0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Mn\n0.875413 0.249174 0.373732 Mn\n0.749995 0.500010 0.750009 Mn\n0.624975 0.750050 0.127074 Mn\n0.375025 0.249950 0.872926 Mn\n0.250005 0.499990 0.249991 Mn\n0.124587 0.750826 0.626268 Mn\n0.471404 0.057192 0.858722 O\n0.346052 0.307896 0.238094 O\n0.220956 0.558088 0.614147 O\n0.097000 0.806000 0.986909 O\n0.972485 0.055030 0.296899 O\n0.845811 0.308379 0.735815 O\n0.720961 0.558079 0.113936 O\n0.596115 0.807770 0.485555 O\n0.403885 0.192230 0.514445 O\n0.279039 0.441921 0.886064 O\n0.154189 0.691621 0.264185 O\n0.027515 0.944970 0.703101 O\n0.903000 0.194000 0.013091 O\n0.779044 0.441912 0.385853 O\n0.653948 0.692104 0.761906 O\n0.528596 0.942808 0.141278 O\n",
"nsites": 32,
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"elements": [
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],
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"formula_full": "Li9 Mn7 O16",
"formula_reduced": "Li9Mn7O16",
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"energy": -227.79946454,
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"updated_at": "2021-11-28T01:35:49.838000Z",
"spacegroup": 12
},
{
"id": "mp-1100505",
"created_at": "2022-09-04T14:43:54.445836Z",
"structure_string": "Li9 Mn7 O16\n1.0\n2.872746 5.342266 0.000000\n-2.872746 5.342266 0.000000\n0.000000 4.254934 9.662830\nLi Mn O\n9 7 16\ndirect\n0.748987 0.748987 0.243148 Li\n0.743107 0.743107 0.759965 Li\n0.745158 0.257729 0.249804 Li\n0.742271 0.254842 0.750196 Li\n0.257729 0.745158 0.249804 Li\n0.254842 0.742271 0.750196 Li\n0.256893 0.256893 0.240035 Li\n0.251013 0.251013 0.756852 Li\n0.500000 0.500000 0.000000 Li\n0.000000 0.500000 0.000000 Mn\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.000000 0.000000 0.500000 Mn\n0.500000 0.500000 0.500000 Mn\n0.500000 0.000000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.636881 0.636881 0.113842 O\n0.639240 0.639240 0.621138 O\n0.628627 0.106157 0.103132 O\n0.638615 0.139400 0.616936 O\n0.106157 0.628627 0.103132 O\n0.139400 0.638615 0.616936 O\n0.140459 0.140459 0.118100 O\n0.139420 0.139420 0.619567 O\n0.860580 0.860580 0.380433 O\n0.859541 0.859541 0.881900 O\n0.860600 0.361385 0.383064 O\n0.893843 0.371373 0.896868 O\n0.361385 0.860600 0.383064 O\n0.371373 0.893843 0.896868 O\n0.360760 0.360760 0.378862 O\n0.363119 0.363119 0.886158 O\n",
"nsites": 32,
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"elements": [
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"Mn",
"O"
],
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"density": 3.93607383466527,
"density_atomic": 0.10789290998175761,
"volume": 296.5903876854421,
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"formula_full": "Li9 Mn7 O16",
"formula_reduced": "Li9Mn7O16",
"formula_anonymous": "A7B9C16",
"energy": -228.96719442,
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"updated_at": "2021-11-28T01:36:11.363000Z",
"spacegroup": 12
},
{
"id": "mp-1177742",
"created_at": "2022-09-04T14:44:17.893916Z",
"structure_string": "Li6 Mn6 Co2 O16\n1.0\n5.027560 2.952812 0.000000\n-5.027560 2.952812 0.000000\n0.000000 0.111918 9.544470\nLi Mn Co O\n6 6 2 16\ndirect\n0.165238 0.818722 0.443632 Li\n0.169581 0.349559 0.443079 Li\n0.648266 0.823616 0.443482 Li\n0.349559 0.169581 0.943079 Li\n0.823616 0.648266 0.943482 Li\n0.818722 0.165238 0.943632 Li\n0.167478 0.834122 0.714244 Mn\n0.168057 0.336405 0.714908 Mn\n0.665089 0.833022 0.715059 Mn\n0.336405 0.168057 0.214908 Mn\n0.833022 0.665089 0.215059 Mn\n0.834122 0.167478 0.214244 Mn\n0.335318 0.673399 0.997375 Co\n0.673399 0.335318 0.497375 Co\n0.161304 0.851148 0.103551 O\n0.030337 0.517837 0.835533 O\n0.302237 0.651810 0.595542 O\n0.478976 0.966506 0.832385 O\n0.158582 0.320349 0.101485 O\n0.480399 0.513707 0.835093 O\n0.692008 0.852195 0.099262 O\n0.320349 0.158582 0.601485 O\n0.513707 0.480399 0.335093 O\n0.651810 0.302237 0.095542 O\n0.852195 0.692008 0.599262 O\n0.032321 0.018044 0.828315 O\n0.018044 0.032321 0.328315 O\n0.517837 0.030337 0.335533 O\n0.966506 0.478976 0.332385 O\n0.851148 0.161304 0.603551 O\n",
"nsites": 30,
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"elements": [
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"O"
],
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"density": 4.3662328425837655,
"density_atomic": 0.10586353269743322,
"volume": 283.3837038646962,
"volume_molar": 5.688588512544523,
"formula_full": "Li6 Mn6 Co2 O16",
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"formula_anonymous": "AB3C3D8",
"energy": -217.36928596,
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"updated_at": "2021-11-28T01:36:31.183000Z",
"spacegroup": 9
},
{
"id": "mp-1100483",
"created_at": "2022-09-04T14:48:24.565789Z",
"structure_string": "Li9 Mn7 O16\n1.0\n2.870895 0.000000 0.000000\n0.000000 5.845116 0.000000\n0.000000 0.229992 17.743286\nLi Mn O\n9 7 16\ndirect\n0.500000 0.500669 0.756727 Li\n0.500000 0.000000 0.500000 Li\n0.500000 0.499331 0.243273 Li\n0.000000 0.249815 0.624073 Li\n0.000000 0.750185 0.375927 Li\n0.000000 0.255574 0.114342 Li\n0.500000 0.000000 0.000000 Li\n0.000000 0.744426 0.885658 Li\n0.500000 0.500000 0.000000 Li\n0.000000 0.254741 0.886116 Mn\n0.000000 0.745259 0.113884 Mn\n0.000000 0.751801 0.628160 Mn\n0.000000 0.248199 0.371840 Mn\n0.500000 0.500000 0.500000 Mn\n0.500000 0.997584 0.242949 Mn\n0.500000 0.002416 0.757051 Mn\n0.500000 0.475240 0.875894 O\n0.500000 0.981209 0.625212 O\n0.500000 0.477719 0.370669 O\n0.000000 0.231378 0.761126 O\n0.000000 0.728194 0.497640 O\n0.000000 0.225278 0.245175 O\n0.500000 0.973590 0.119794 O\n0.000000 0.747251 0.012404 O\n0.500000 0.522281 0.629331 O\n0.500000 0.018791 0.374788 O\n0.500000 0.524760 0.124106 O\n0.000000 0.271806 0.502360 O\n0.000000 0.768622 0.238874 O\n0.000000 0.252749 0.987596 O\n0.500000 0.026410 0.880206 O\n0.000000 0.774722 0.754825 O\n",
"nsites": 32,
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"elements": [
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"Mn",
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