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{
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"results": [
{
"id": "mp-753692",
"created_at": "2022-09-04T14:43:13.092678Z",
"structure_string": "Ho4 Ge4 O14\n1.0\n0.000000 4.999953 4.999953\n4.999953 0.000000 4.999953\n4.999953 4.999953 0.000000\nHo Ge O\n4 4 14\ndirect\n0.125000 0.625000 0.625000 Ho\n0.625000 0.625000 0.625000 Ho\n0.625000 0.125000 0.625000 Ho\n0.625000 0.625000 0.125000 Ho\n0.125000 0.625000 0.125000 Ge\n0.125000 0.125000 0.625000 Ge\n0.625000 0.125000 0.125000 Ge\n0.125000 0.125000 0.125000 Ge\n0.750000 0.750000 0.750000 O\n0.203787 0.796213 0.796213 O\n0.203787 0.796213 0.203787 O\n0.796213 0.796213 0.203787 O\n0.796213 0.203787 0.796213 O\n0.203787 0.203787 0.796213 O\n0.453787 0.046213 0.046213 O\n0.796213 0.203787 0.203787 O\n0.046213 0.046213 0.453787 O\n0.453787 0.046213 0.453787 O\n0.046213 0.453787 0.046213 O\n0.453787 0.453787 0.046213 O\n0.046213 0.453787 0.453787 O\n0.500000 0.500000 0.500000 O\n",
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"volume": 249.99295006626974,
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"formula_full": "Ho4 Ge4 O14",
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"energy": -173.4026959,
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"updated_at": "2021-11-28T01:36:03.990000Z",
"spacegroup": 227
},
{
"id": "mp-1274757",
"created_at": "2022-09-04T14:48:21.911783Z",
"structure_string": "Mn2 Fe4 O8\n1.0\n5.270211 -0.038973 3.085868\n1.740622 4.933494 3.050368\n0.032836 -0.021649 6.113021\nMn Fe O\n2 4 8\ndirect\n0.123198 0.129057 0.121516 Mn\n0.876795 0.871108 0.878213 Mn\n0.499845 0.499886 0.500032 Fe\n0.499933 0.500042 0.000083 Fe\n0.000110 0.499971 0.499864 Fe\n0.500088 0.999897 0.500067 Fe\n0.733685 0.739635 0.736908 O\n0.266762 0.269117 0.706647 O\n0.261399 0.713619 0.247966 O\n0.707250 0.272779 0.254901 O\n0.738544 0.286532 0.751956 O\n0.292796 0.727187 0.745057 O\n0.266382 0.260337 0.263146 O\n0.733208 0.730838 0.293640 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Mn",
"Fe",
"O"
],
"chemical_system": "Fe-Mn-O",
"density": 4.814582498419594,
"density_atomic": 0.08800350655407167,
"volume": 159.0845700153781,
"volume_molar": 6.8430690955477305,
"formula_full": "Mn2 Fe4 O8",
"formula_reduced": "Mn(FeO2)2",
"formula_anonymous": "AB2C4",
"energy": -115.30686481,
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"band_gap": 1.3155,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:53.202000Z",
"spacegroup": 2
},
{
"id": "mp-850885",
"created_at": "2022-09-04T14:39:18.316781Z",
"structure_string": "Li4 Mn8 B8 O24\n1.0\n-5.358284 0.000000 0.000000\n-0.058995 -9.090608 0.000000\n2.338225 4.359259 10.264369\nLi Mn B O\n4 8 8 24\ndirect\n0.287263 0.181151 0.327396 Li\n0.569821 0.409328 0.850978 Li\n0.075901 0.914796 0.836663 Li\n0.660683 0.797655 0.584278 Li\n0.084344 0.609114 0.868795 Mn\n0.647289 0.460067 0.614547 Mn\n0.397138 0.905601 0.112709 Mn\n0.167749 0.994629 0.624548 Mn\n0.823064 0.985470 0.364317 Mn\n0.599198 0.092452 0.881850 Mn\n0.342105 0.540401 0.369355 Mn\n0.910752 0.380444 0.126645 Mn\n0.605545 0.758161 0.866822 B\n0.838445 0.333581 0.363643 B\n0.102342 0.273488 0.878291 B\n0.652668 0.127881 0.629136 B\n0.365139 0.871379 0.377172 B\n0.895601 0.721731 0.118090 B\n0.153771 0.651946 0.631738 B\n0.387178 0.254472 0.129915 B\n0.364717 0.784923 0.901553 O\n0.055184 0.545156 0.677923 O\n0.953051 0.202446 0.367090 O\n0.689457 0.603583 0.831154 O\n0.611589 0.377692 0.408774 O\n0.217588 0.400584 0.870889 O\n0.271160 0.129148 0.139599 O\n0.568449 0.274705 0.662116 O\n0.191289 0.119771 0.830228 O\n0.443744 0.978383 0.326501 O\n0.881992 0.285303 0.931318 O\n0.136376 0.895980 0.418403 O\n0.839692 0.077283 0.555533 O\n0.094011 0.727960 0.053983 O\n0.561734 0.015630 0.670932 O\n0.793709 0.870880 0.176266 O\n0.034699 0.788861 0.642340 O\n0.512689 0.756698 0.394569 O\n0.750951 0.881080 0.870630 O\n0.803390 0.589627 0.122120 O\n0.369603 0.616270 0.577031 O\n0.289255 0.405945 0.165869 O\n0.951143 0.435019 0.316097 O\n0.605930 0.236487 0.079288 O\n",
"nsites": 44,
"nelements": 4,
"elements": [
"Li",
"Mn",
"B",
"O"
],
"chemical_system": "B-Li-Mn-O",
"density": 3.114451206421354,
"density_atomic": 0.08800386800596208,
"volume": 499.9780236593588,
"volume_molar": 6.84304098950743,
"formula_full": "Li4 Mn8 B8 O24",
"formula_reduced": "LiMn2(BO3)2",
"formula_anonymous": "AB2C2D6",
"energy": -359.41488387000004,
"energy_per_atom": -8.168520087954546,
"energy_above_hull": null,
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"energy_uncorrected": -329.58288387,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:28.106000Z",
"spacegroup": 1
},
{
"id": "mp-1248614",
"created_at": "2022-09-04T14:42:17.882609Z",
"structure_string": "Mg2 Cu2 Si4 O12\n1.0\n4.617624 5.010642 0.000000\n-4.617624 5.010642 0.000000\n0.000000 1.879246 4.911135\nMg Cu Si O\n2 2 4 12\ndirect\n0.755736 0.244264 0.750000 Mg\n0.244264 0.755736 0.250000 Mg\n0.891489 0.108511 0.250000 Cu\n0.108511 0.891489 0.750000 Cu\n0.382788 0.204245 0.254533 Si\n0.795755 0.617212 0.245467 Si\n0.204245 0.382788 0.754533 Si\n0.617212 0.795755 0.745467 Si\n0.373994 0.316086 0.499993 O\n0.683914 0.626006 0.000007 O\n0.626006 0.683914 0.500007 O\n0.316086 0.373994 0.999993 O\n0.612551 0.133716 0.133443 O\n0.866284 0.387449 0.366557 O\n0.387449 0.866284 0.866557 O\n0.133716 0.612551 0.633443 O\n0.019046 0.216262 0.867547 O\n0.783738 0.980954 0.632453 O\n0.216262 0.019046 0.367547 O\n0.980954 0.783738 0.132453 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Mg",
"Cu",
"Si",
"O"
],
"chemical_system": "Cu-Mg-O-Si",
"density": 3.5075172883892383,
"density_atomic": 0.08800476478517098,
"volume": 227.2604221921635,
"volume_molar": 6.842971258091182,
"formula_full": "Mg2 Cu2 Si4 O12",
"formula_reduced": "MgCu(SiO3)2",
"formula_anonymous": "ABC2D6",
"energy": -146.35886458,
"energy_per_atom": -7.317943228999999,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -138.11486458,
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"updated_at": "2021-11-28T01:35:45.253000Z",
"spacegroup": 15
},
{
"id": "mp-1177993",
"created_at": "2022-09-04T14:42:54.938696Z",
"structure_string": "Li8 Mn12 Sn4 O32\n1.0\n8.376142 0.000000 0.000000\n0.000000 8.647002 0.000000\n0.000000 0.000000 8.785607\nLi Mn Sn O\n8 12 4 32\ndirect\n0.000033 0.995700 0.997515 Li\n0.249374 0.751491 0.753214 Li\n0.750626 0.251491 0.746786 Li\n0.999967 0.495700 0.502485 Li\n0.499967 0.004300 0.497515 Li\n0.250626 0.248509 0.253214 Li\n0.749374 0.748509 0.246786 Li\n0.500033 0.504300 0.002485 Li\n0.133611 0.376224 0.875555 Mn\n0.383874 0.126622 0.872135 Mn\n0.625133 0.877480 0.873119 Mn\n0.374867 0.377480 0.626881 Mn\n0.616126 0.626622 0.627865 Mn\n0.866389 0.876224 0.624445 Mn\n0.366389 0.623776 0.375555 Mn\n0.116126 0.873378 0.372135 Mn\n0.874867 0.122520 0.373119 Mn\n0.125133 0.622520 0.126881 Mn\n0.883874 0.373378 0.127865 Mn\n0.633611 0.123776 0.124445 Mn\n0.874916 0.625259 0.874514 Sn\n0.125084 0.125259 0.625486 Sn\n0.625084 0.374741 0.374514 Sn\n0.374916 0.874741 0.125486 Sn\n0.122807 0.621200 0.902860 O\n0.901000 0.384530 0.875413 O\n0.616415 0.104927 0.883499 O\n0.148833 0.129230 0.863389 O\n0.392133 0.891292 0.882337 O\n0.366156 0.363761 0.852736 O\n0.627826 0.651200 0.872834 O\n0.855374 0.868641 0.865572 O\n0.144626 0.368641 0.634428 O\n0.372174 0.151200 0.627166 O\n0.633844 0.863761 0.647264 O\n0.607867 0.391292 0.617663 O\n0.851167 0.629230 0.636611 O\n0.383585 0.604927 0.616501 O\n0.099000 0.884530 0.624587 O\n0.877193 0.121200 0.597140 O\n0.377193 0.378800 0.402860 O\n0.599000 0.615470 0.375413 O\n0.883585 0.895073 0.383499 O\n0.351167 0.870770 0.363389 O\n0.107867 0.108708 0.382337 O\n0.133844 0.636239 0.352736 O\n0.872174 0.348800 0.372834 O\n0.644626 0.131359 0.365572 O\n0.355374 0.631359 0.134428 O\n0.127826 0.848800 0.127166 O\n0.866156 0.136239 0.147264 O\n0.892133 0.608708 0.117663 O\n0.648833 0.370770 0.136611 O\n0.116415 0.395073 0.116501 O\n0.401000 0.115470 0.124587 O\n0.622807 0.878800 0.097140 O\n",
"nsites": 56,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Sn",
"O"
],
"chemical_system": "Li-Mn-O-Sn",
"density": 4.440445807395792,
"density_atomic": 0.08800486152198508,
"volume": 636.3284826714972,
"volume_molar": 6.842963736151745,
"formula_full": "Li8 Mn12 Sn4 O32",
"formula_reduced": "Li2Mn3SnO8",
"formula_anonymous": "AB2C3D8",
"energy": -416.47474573,
"energy_per_atom": -7.437049030892857,
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"updated_at": "2021-11-28T01:35:59.084000Z",
"spacegroup": 19
},
{
"id": "mp-757674",
"created_at": "2022-09-04T14:40:42.874670Z",
"structure_string": "Mg17 Si16 O48\n1.0\n8.933341 0.000000 0.000000\n0.000000 9.488114 0.000000\n0.000000 0.134818 10.858863\nMg Si O\n17 16 48\ndirect\n0.103018 0.011020 0.753081 Mg\n0.738980 0.003336 0.751509 Mg\n0.261919 0.000000 0.500000 Mg\n0.895862 0.000000 0.000000 Mg\n0.261736 0.000000 0.000000 Mg\n0.103018 0.988980 0.246919 Mg\n0.738980 0.996664 0.248491 Mg\n0.895686 0.000000 0.500000 Mg\n0.764666 0.500000 0.500000 Mg\n0.130520 0.500000 0.500000 Mg\n0.440742 0.500000 0.500000 Mg\n0.609876 0.499383 0.248350 Mg\n0.759492 0.500000 0.000000 Mg\n0.251788 0.497983 0.244244 Mg\n0.402743 0.500000 0.000000 Mg\n0.609876 0.500617 0.751650 Mg\n0.251788 0.502017 0.755756 Mg\n0.589481 0.208838 0.906942 Si\n0.409512 0.206797 0.156420 Si\n0.412343 0.211732 0.655361 Si\n0.593291 0.206383 0.405017 Si\n0.091310 0.292566 0.907830 Si\n0.086688 0.268693 0.392428 Si\n0.912783 0.290649 0.658168 Si\n0.904096 0.285746 0.150896 Si\n0.091310 0.707434 0.092170 Si\n0.904096 0.714254 0.849104 Si\n0.086688 0.731307 0.607572 Si\n0.912783 0.709351 0.341832 Si\n0.412343 0.788268 0.344639 Si\n0.409512 0.793203 0.843580 Si\n0.589481 0.791162 0.093058 Si\n0.593291 0.793617 0.594983 Si\n0.744737 0.122850 0.907767 O\n0.747635 0.118649 0.404438 O\n0.255889 0.126447 0.654588 O\n0.254073 0.119568 0.158752 O\n0.096931 0.120022 0.914519 O\n0.900322 0.114047 0.157846 O\n0.903943 0.119457 0.663120 O\n0.088252 0.100422 0.407071 O\n0.482093 0.155547 0.520246 O\n0.476049 0.152456 0.019557 O\n0.523321 0.153156 0.269619 O\n0.522588 0.155215 0.769861 O\n0.018122 0.336025 0.263330 O\n0.022526 0.345835 0.770872 O\n0.973217 0.346201 0.016477 O\n0.983496 0.337137 0.513016 O\n0.409282 0.379701 0.160543 O\n0.414131 0.385964 0.660052 O\n0.595053 0.381741 0.911497 O\n0.602087 0.379855 0.411140 O\n0.247173 0.379246 0.909604 O\n0.242988 0.362175 0.401581 O\n0.750576 0.375028 0.154596 O\n0.761080 0.382499 0.654990 O\n0.247173 0.620754 0.090396 O\n0.761080 0.617501 0.345010 O\n0.750576 0.624972 0.845404 O\n0.242988 0.637825 0.598419 O\n0.414131 0.614036 0.339948 O\n0.409282 0.620299 0.839457 O\n0.595053 0.618259 0.088503 O\n0.602087 0.620145 0.588860 O\n0.022526 0.654165 0.229128 O\n0.018122 0.663975 0.736670 O\n0.973217 0.653799 0.983523 O\n0.983496 0.662863 0.486984 O\n0.523321 0.846844 0.730381 O\n0.482093 0.844453 0.479754 O\n0.476049 0.847544 0.980443 O\n0.522588 0.844785 0.230139 O\n0.900322 0.885953 0.842154 O\n0.096931 0.879978 0.085481 O\n0.088252 0.899578 0.592929 O\n0.903943 0.880543 0.336880 O\n0.254073 0.880432 0.841248 O\n0.255889 0.873553 0.345412 O\n0.744737 0.877150 0.092233 O\n0.747635 0.881351 0.595562 O\n",
"nsites": 81,
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"elements": [
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"Si",
"O"
],
"chemical_system": "Mg-O-Si",
"density": 2.9416986848207585,
"density_atomic": 0.08800490102073807,
"volume": 920.4032850501429,
"volume_molar": 6.842960664862178,
"formula_full": "Mg17 Si16 O48",
"formula_reduced": "Mg17(SiO3)16",
"formula_anonymous": "A16B17C48",
"energy": -604.40978628,
"energy_per_atom": -7.461849213333334,
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"updated_at": "2021-11-28T01:35:06.562000Z",
"spacegroup": 3
},
{
"id": "mp-754905",
"created_at": "2022-09-04T14:41:08.841985Z",
"structure_string": "Ni6 O2 F10\n1.0\n3.092243 0.000000 0.000000\n0.000000 4.695179 0.000000\n0.000000 0.254366 14.087377\nNi O F\n6 2 10\ndirect\n0.000000 0.000000 0.000000 Ni\n0.000000 0.009713 0.331015 Ni\n0.000000 0.990287 0.668985 Ni\n0.500000 0.486932 0.170669 Ni\n0.500000 0.500000 0.500000 Ni\n0.500000 0.513068 0.829331 Ni\n0.000000 0.698740 0.767102 O\n0.000000 0.301260 0.232898 O\n0.500000 0.802205 0.268694 F\n0.500000 0.804247 0.599411 F\n0.500000 0.802642 0.935272 F\n0.000000 0.695096 0.103117 F\n0.000000 0.698750 0.432610 F\n0.000000 0.301250 0.567390 F\n0.000000 0.304904 0.896883 F\n0.500000 0.197358 0.064728 F\n0.500000 0.195753 0.400589 F\n0.500000 0.197795 0.731306 F\n",
"nsites": 18,
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"elements": [
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"O",
"F"
],
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"density": 4.6613685418518696,
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"volume": 204.52947626862073,
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"formula_full": "Ni6 O2 F10",
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"energy": -99.61135832,
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"spacegroup": 10
},
{
"id": "mp-1177899",
"created_at": "2022-09-04T14:45:24.956834Z",
"structure_string": "Li2 Mn1 F4\n1.0\n-2.098441 2.098441 4.515724\n2.098441 -2.098441 4.515724\n2.098441 2.098441 -4.515724\nLi Mn F\n2 1 4\ndirect\n0.250000 0.750000 0.500000 Li\n0.750000 0.250000 0.500000 Li\n0.000000 0.000000 0.000000 Mn\n0.763230 0.763230 0.000000 F\n0.236770 0.236770 0.000000 F\n0.000000 0.500000 0.500000 F\n0.500000 0.000000 0.500000 F\n",
"nsites": 7,
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"elements": [
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],
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"volume": 79.53914303109671,
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"formula_full": "Li2 Mn1 F4",
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"formula_anonymous": "AB2C4",
"energy": -41.69178383,
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