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{
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"results": [
{
"id": "mp-1177488",
"created_at": "2022-09-04T14:48:12.965334Z",
"structure_string": "Li6 V6 Sb2 O16\n1.0\n5.270533 -1.628017 2.615075\n5.272852 1.586870 -2.644211\n-3.427050 8.533872 5.211515\nLi V Sb O\n6 6 2 16\ndirect\n0.750278 0.749736 0.750012 Li\n0.250261 0.249717 0.249990 Li\n0.500249 0.999662 0.999929 Li\n0.000208 0.499618 0.499958 Li\n0.000335 0.499743 0.000066 Li\n0.500363 0.999790 0.500039 Li\n0.501031 0.498976 0.000017 V\n0.748579 0.250579 0.750384 V\n0.749484 0.251388 0.249609 V\n0.001304 0.998703 0.500016 V\n0.248524 0.750544 0.250415 V\n0.249481 0.751464 0.749571 V\n0.500710 0.499274 0.499973 Sb\n0.000375 0.999559 0.999948 Sb\n0.889035 0.890970 0.639443 O\n0.389081 0.390905 0.139441 O\n0.109460 0.110615 0.360622 O\n0.609470 0.610629 0.860618 O\n0.385475 0.385725 0.619397 O\n0.885165 0.885953 0.119397 O\n0.614505 0.614356 0.380571 O\n0.114269 0.114725 0.880619 O\n0.124034 0.657171 0.879943 O\n0.624156 0.156936 0.379955 O\n0.656143 0.122908 0.880412 O\n0.156312 0.622889 0.380471 O\n0.877576 0.343158 0.119581 O\n0.377692 0.843071 0.619627 O\n0.343081 0.875631 0.120002 O\n0.843358 0.375599 0.619972 O\n",
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"volume": 324.39734589274155,
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"formula_full": "Li6 V6 Sb2 O16",
"formula_reduced": "Li3V3SbO8",
"formula_anonymous": "AB3C3D8",
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"updated_at": "2021-11-28T01:38:34.614000Z",
"spacegroup": 12
},
{
"id": "mp-1045634",
"created_at": "2022-09-04T14:48:12.965773Z",
"structure_string": "Zn1 Fe4 O8\n1.0\n1.495267 7.196107 0.000000\n-1.495267 7.196107 0.000000\n0.000000 6.151882 7.307679\nZn Fe O\n1 4 8\ndirect\n0.670257 0.670257 0.797441 Zn\n0.372301 0.372301 0.433177 Fe\n0.864793 0.864793 0.788850 Fe\n0.161827 0.161827 0.158985 Fe\n0.648622 0.648622 0.507085 Fe\n0.147925 0.147925 0.380773 O\n0.549144 0.549144 0.238498 O\n0.469527 0.469527 0.715735 O\n0.867960 0.867960 0.576410 O\n0.833496 0.833496 0.348812 O\n0.213962 0.213962 0.896605 O\n0.165603 0.165603 0.652772 O\n0.779345 0.779345 0.050401 O\n",
"nsites": 13,
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"elements": [
"Zn",
"Fe",
"O"
],
"chemical_system": "Fe-O-Zn",
"density": 4.400829321006321,
"density_atomic": 0.0826642126388,
"volume": 157.26273298946546,
"volume_molar": 7.285063956652744,
"formula_full": "Zn1 Fe4 O8",
"formula_reduced": "Zn(FeO2)4",
"formula_anonymous": "AB4C8",
"energy": -93.05454375,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:38:47.289000Z",
"spacegroup": 8
},
{
"id": "mp-9976",
"created_at": "2022-09-04T14:48:12.993412Z",
"structure_string": "Ba1 Sb12 Ru4\n1.0\n-4.719093 4.719093 4.719093\n4.719093 -4.719093 4.719093\n4.719093 4.719093 -4.719093\nBa Sb Ru\n1 12 4\ndirect\n0.000000 0.000000 0.000000 Ba\n0.160424 0.816509 0.656085 Sb\n0.160424 0.504339 0.343915 Sb\n0.495661 0.656085 0.839576 Sb\n0.343915 0.839576 0.183491 Sb\n0.816509 0.656085 0.160424 Sb\n0.656085 0.839576 0.495661 Sb\n0.183491 0.343915 0.839576 Sb\n0.656085 0.160424 0.816509 Sb\n0.343915 0.160424 0.504339 Sb\n0.504339 0.343915 0.160424 Sb\n0.839576 0.495661 0.656085 Sb\n0.839576 0.183491 0.343915 Sb\n0.500000 0.500000 0.500000 Ru\n0.000000 0.000000 0.500000 Ru\n0.500000 0.000000 0.000000 Ru\n0.000000 0.500000 0.000000 Ru\n",
"nsites": 17,
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"elements": [
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"Sb",
"Ru"
],
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"density": 7.911070423110667,
"density_atomic": 0.04044020250059318,
"volume": 420.3737604862548,
"volume_molar": 14.891470337992661,
"formula_full": "Ba1 Sb12 Ru4",
"formula_reduced": "Ba(Sb3Ru)4",
"formula_anonymous": "AB4C12",
"energy": -96.46225782,
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"updated_at": "2021-11-28T01:38:42.962000Z",
"spacegroup": 204
},
{
"id": "mp-753645",
"created_at": "2022-09-04T14:48:13.033434Z",
"structure_string": "Li4 Mn3 Fe2 O10\n1.0\n5.148286 0.000000 0.000000\n0.753635 5.166078 0.000000\n2.501068 2.173130 7.124302\nLi Mn Fe O\n4 3 2 10\ndirect\n0.508478 0.774390 0.433715 Li\n0.972375 0.497281 0.512459 Li\n0.499264 0.397818 0.220854 Li\n0.489757 0.205001 0.593778 Li\n0.504133 0.002702 0.995256 Mn\n0.996372 0.309672 0.896149 Mn\n0.010212 0.696885 0.101476 Mn\n0.008388 0.887867 0.683962 Fe\n0.997587 0.112423 0.310063 Fe\n0.228630 0.975001 0.863303 O\n0.790256 0.645017 0.951479 O\n0.772917 0.877208 0.533544 O\n0.253332 0.776540 0.221106 O\n0.205027 0.537286 0.667322 O\n0.779427 0.460662 0.332640 O\n0.768384 0.205996 0.771552 O\n0.242668 0.130351 0.454412 O\n0.218327 0.329311 0.051135 O\n0.751191 0.073985 0.127752 O\n",
"nsites": 19,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Fe",
"O"
],
"chemical_system": "Fe-Li-Mn-O",
"density": 4.068613320557882,
"density_atomic": 0.10027384213331958,
"volume": 189.48112085640895,
"volume_molar": 6.005694637683508,
"formula_full": "Li4 Mn3 Fe2 O10",
"formula_reduced": "Li4Mn3(FeO5)2",
"formula_anonymous": "A2B3C4D10",
"energy": -139.18326486,
"energy_per_atom": -7.325434992631579,
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"updated_at": "2021-11-28T01:38:39.507000Z",
"spacegroup": 1
},
{
"id": "mp-1376811",
"created_at": "2022-09-04T14:48:12.918328Z",
"structure_string": "V4 As4 O20\n1.0\n7.204504 0.000000 0.000000\n0.000000 7.420738 0.000000\n0.000000 0.000000 8.400511\nV As O\n4 4 20\ndirect\n0.009019 0.204367 0.061620 V\n0.990981 0.704367 0.438380 V\n0.490981 0.795633 0.561620 V\n0.509019 0.295633 0.938380 V\n0.740059 0.425619 0.607504 As\n0.259941 0.925619 0.892496 As\n0.759941 0.574381 0.107504 As\n0.240059 0.074381 0.392496 As\n0.320666 0.389810 0.879108 O\n0.679334 0.889810 0.620892 O\n0.179334 0.610190 0.379108 O\n0.820666 0.110190 0.120892 O\n0.698085 0.350761 0.805130 O\n0.301915 0.850761 0.694870 O\n0.801915 0.649239 0.305130 O\n0.198085 0.149239 0.194870 O\n0.784165 0.260150 0.484634 O\n0.215835 0.760150 0.015366 O\n0.715835 0.739850 0.984634 O\n0.284165 0.239850 0.515366 O\n0.538548 0.556081 0.567242 O\n0.461452 0.056081 0.932758 O\n0.961452 0.443919 0.067242 O\n0.038548 0.943919 0.432758 O\n0.919293 0.587533 0.623674 O\n0.080707 0.087533 0.876326 O\n0.580707 0.412467 0.123674 O\n0.419293 0.912467 0.376326 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"V",
"As",
"O"
],
"chemical_system": "As-O-V",
"density": 3.0445588842596676,
"density_atomic": 0.06234492993843615,
"volume": 449.11430693160145,
"volume_molar": 9.65939133454267,
"formula_full": "V4 As4 O20",
"formula_reduced": "VAsO5",
"formula_anonymous": "ABC5",
"energy": -205.00995496,
"energy_per_atom": -7.321784105714285,
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"updated_at": "2021-11-28T01:38:39.770000Z",
"spacegroup": 19
},
{
"id": "mp-1178101",
"created_at": "2022-09-04T14:48:12.937362Z",
"structure_string": "Li10 Sc9 Fe1 Si20 O60\n1.0\n4.519723 10.206996 0.000000\n-4.519723 10.206996 0.000000\n0.000000 3.652057 12.346002\nLi Sc Fe Si O\n10 9 1 20 60\ndirect\n0.797474 0.202526 0.000000 Li\n0.402599 0.797466 0.099979 Li\n0.997181 0.402699 0.200136 Li\n0.602527 0.997630 0.300276 Li\n0.198827 0.602096 0.400944 Li\n0.800415 0.199585 0.500000 Li\n0.397904 0.801173 0.599056 Li\n0.002370 0.397473 0.699724 Li\n0.597301 0.002819 0.799864 Li\n0.202534 0.597401 0.900021 Li\n0.156940 0.843060 0.000000 Sc\n0.042533 0.157083 0.100569 Sc\n0.357051 0.042646 0.200240 Sc\n0.243224 0.356830 0.300064 Sc\n0.556363 0.245291 0.400600 Sc\n0.754709 0.443637 0.599400 Sc\n0.643170 0.756776 0.699936 Sc\n0.957354 0.642949 0.799760 Sc\n0.842917 0.957467 0.899431 Sc\n0.440865 0.559135 0.500000 Fe\n0.227900 0.302011 0.966931 Si\n0.697989 0.772100 0.033069 Si\n0.502159 0.227847 0.066876 Si\n0.972027 0.698040 0.133094 Si\n0.898760 0.971503 0.233795 Si\n0.427947 0.502055 0.166921 Si\n0.700797 0.428973 0.267844 Si\n0.174579 0.895225 0.334860 Si\n0.625915 0.701682 0.367347 Si\n0.098079 0.171907 0.433263 Si\n0.901567 0.627841 0.467120 Si\n0.372159 0.098433 0.532880 Si\n0.828093 0.901921 0.566737 Si\n0.298318 0.374085 0.632653 Si\n0.571027 0.299203 0.732156 Si\n0.104775 0.825421 0.665140 Si\n0.028497 0.101240 0.766205 Si\n0.497945 0.572053 0.833079 Si\n0.301960 0.027973 0.866906 Si\n0.772153 0.497841 0.933124 Si\n0.387491 0.276759 0.978578 O\n0.029633 0.758898 0.015082 O\n0.692051 0.094588 0.021617 O\n0.905412 0.307949 0.978383 O\n0.241102 0.970367 0.984918 O\n0.723241 0.612509 0.021422 O\n0.476817 0.387525 0.078543 O\n0.508123 0.905434 0.078185 O\n0.170264 0.240941 0.084930 O\n0.812457 0.723359 0.121464 O\n0.105317 0.508121 0.178298 O\n0.958920 0.029537 0.115592 O\n0.441320 0.170176 0.184841 O\n0.294798 0.691854 0.121822 O\n0.923010 0.812666 0.221588 O\n0.587403 0.476542 0.179103 O\n0.708930 0.105639 0.279232 O\n0.231529 0.956153 0.216518 O\n0.370104 0.441382 0.284935 O\n0.890574 0.294686 0.222604 O\n0.677142 0.587968 0.277719 O\n0.158818 0.229529 0.315262 O\n0.494197 0.891680 0.322278 O\n0.015827 0.919772 0.321690 O\n0.785381 0.676006 0.380221 O\n0.429781 0.159612 0.415021 O\n0.091587 0.494943 0.421833 O\n0.308143 0.705174 0.381843 O\n0.637388 0.374948 0.386743 O\n0.123689 0.011915 0.422173 O\n0.876434 0.787493 0.478452 O\n0.360545 0.433975 0.515833 O\n0.694739 0.092040 0.521709 O\n0.907960 0.305261 0.478291 O\n0.566025 0.639455 0.484167 O\n0.212507 0.123566 0.521548 O\n0.988085 0.876311 0.577827 O\n0.505057 0.908413 0.578167 O\n0.840388 0.570219 0.584979 O\n0.323994 0.214619 0.619779 O\n0.108320 0.505803 0.677722 O\n0.625052 0.362612 0.613257 O\n0.770471 0.841182 0.684738 O\n0.294826 0.691857 0.618157 O\n0.412032 0.322858 0.722281 O\n0.080228 0.984173 0.678310 O\n0.705314 0.109426 0.777396 O\n0.558618 0.629896 0.715065 O\n0.043847 0.768471 0.783482 O\n0.894361 0.291070 0.720768 O\n0.187334 0.076990 0.778412 O\n0.829824 0.558680 0.815159 O\n0.491879 0.894683 0.821702 O\n0.523458 0.412597 0.820897 O\n0.276641 0.187543 0.878536 O\n0.759059 0.829736 0.915070 O\n0.094566 0.491877 0.921815 O\n0.308146 0.705202 0.878178 O\n0.970463 0.041080 0.884408 O\n0.612475 0.523183 0.921457 O\n",
"nsites": 100,
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"elements": [
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"Si",
"O"
],
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"density": 2.9906206981635974,
"density_atomic": 0.08778774586187002,
"volume": 1139.111148352589,
"volume_molar": 6.859887676664533,
"formula_full": "Li10 Sc9 Fe1 Si20 O60",
"formula_reduced": "Li10Sc9Fe(SiO3)20",
"formula_anonymous": "AB9C10D20E60",
"energy": -818.3470183900001,
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"updated_at": "2021-11-28T01:38:38.660000Z",
"spacegroup": 5
},
{
"id": "mp-1043879",
"created_at": "2022-09-04T14:48:12.945235Z",
"structure_string": "Zn4 Bi12 O28\n1.0\n5.692502 0.000000 0.000000\n0.000000 10.885295 0.000000\n0.000000 0.000000 11.077356\nZn Bi O\n4 12 28\ndirect\n0.691768 0.750000 0.083410 Zn\n0.191768 0.250000 0.416590 Zn\n0.308232 0.250000 0.916590 Zn\n0.808232 0.750000 0.583410 Zn\n0.329799 0.984883 0.635254 Bi\n0.829799 0.015117 0.864746 Bi\n0.670201 0.484883 0.364746 Bi\n0.170201 0.515117 0.135254 Bi\n0.282404 0.750000 0.855406 Bi\n0.782404 0.250000 0.644594 Bi\n0.717596 0.250000 0.144594 Bi\n0.217596 0.750000 0.355406 Bi\n0.829799 0.484883 0.864746 Bi\n0.329799 0.515117 0.635254 Bi\n0.170201 0.984883 0.135254 Bi\n0.670201 0.015117 0.364746 Bi\n0.957602 0.124060 0.227562 O\n0.457602 0.875940 0.272438 O\n0.042398 0.624060 0.772438 O\n0.542398 0.375940 0.727562 O\n0.042398 0.875940 0.772438 O\n0.542398 0.124060 0.727562 O\n0.957602 0.375940 0.227562 O\n0.457602 0.624060 0.272438 O\n0.480675 0.114104 0.204902 O\n0.980675 0.885896 0.295098 O\n0.519325 0.614104 0.795098 O\n0.019325 0.385896 0.704902 O\n0.519325 0.885896 0.795098 O\n0.019325 0.114104 0.704902 O\n0.480675 0.385896 0.204902 O\n0.980675 0.614104 0.295098 O\n0.152805 0.750000 0.540692 O\n0.652805 0.250000 0.959308 O\n0.847195 0.250000 0.459308 O\n0.347195 0.750000 0.040692 O\n0.142578 0.400886 0.963120 O\n0.642578 0.599114 0.536880 O\n0.857422 0.900886 0.036880 O\n0.357422 0.099114 0.463120 O\n0.857422 0.599114 0.036880 O\n0.357422 0.400886 0.463120 O\n0.142578 0.099114 0.963120 O\n0.642578 0.900886 0.536880 O\n",
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"formula_full": "Zn4 Bi12 O28",
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},
{
"id": "mp-1226425",
"created_at": "2022-09-04T14:48:12.946914Z",
"structure_string": "Cr3 Fe3 Ge1 As2\n1.0\n3.006500 -5.207411 0.000000\n3.006500 5.207411 0.000000\n0.000000 0.000000 3.768564\nCr Fe Ge As\n3 3 1 2\ndirect\n0.420722 0.420722 0.500000 Cr\n0.579278 0.000000 0.500000 Cr\n0.000000 0.579278 0.500000 Cr\n0.754827 0.754827 0.000000 Fe\n0.245173 0.000000 0.000000 Fe\n0.000000 0.245173 0.000000 Fe\n0.000000 0.000000 0.500000 Ge\n0.666667 0.333333 0.000000 As\n0.333333 0.666667 0.000000 As\n",
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"Ge",
"As"
],
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"volume": 118.00188776798544,
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"formula_full": "Cr3 Fe3 Ge1 As2",
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"formula_anonymous": "AB2C3D3",
"energy": -68.92667603,
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