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{
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"results": [
{
"id": "mp-1043059",
"created_at": "2022-09-04T14:44:14.232028Z",
"structure_string": "Ca3 Fe4 W6 O24\n1.0\n7.364937 0.000000 0.000000\n-2.048307 8.487356 0.000000\n-2.927336 -3.533310 9.544840\nCa Fe W O\n3 4 6 24\ndirect\n0.000000 0.500000 0.500000 Ca\n0.291650 0.299151 0.793199 Ca\n0.708350 0.700849 0.206801 Ca\n0.376228 0.960362 0.600908 Fe\n0.623772 0.039638 0.399092 Fe\n0.045273 0.215808 0.017387 Fe\n0.954727 0.784192 0.982613 Fe\n0.781742 0.332316 0.729786 W\n0.218258 0.667684 0.270214 W\n0.893930 0.913261 0.673722 W\n0.391952 0.741112 0.866828 W\n0.106070 0.086739 0.326278 W\n0.608048 0.258888 0.133172 W\n0.856127 0.696952 0.585488 O\n0.143873 0.303048 0.414512 O\n0.246169 0.530938 0.734533 O\n0.753831 0.469062 0.265467 O\n0.786667 0.282602 0.544163 O\n0.213333 0.717398 0.455837 O\n0.675682 0.965950 0.587285 O\n0.324318 0.034050 0.412715 O\n0.621069 0.732939 0.987959 O\n0.378931 0.267061 0.012041 O\n0.485139 0.779439 0.291720 O\n0.514861 0.220561 0.708280 O\n0.121677 0.024410 0.652986 O\n0.070391 0.056931 0.142572 O\n0.929609 0.943069 0.857428 O\n0.559659 0.120584 0.227608 O\n0.440341 0.879416 0.772392 O\n0.172830 0.450758 0.158946 O\n0.827170 0.549242 0.841054 O\n0.992116 0.264898 0.826477 O\n0.007884 0.735102 0.173523 O\n0.239517 0.799286 0.963793 O\n0.760483 0.200714 0.036207 O\n0.878323 0.975590 0.347014 O\n",
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"formula_full": "Ca3 Fe4 W6 O24",
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"updated_at": "2021-11-28T01:36:30.313000Z",
"spacegroup": 2
},
{
"id": "mp-1043057",
"created_at": "2022-09-04T14:43:16.631218Z",
"structure_string": "Zn2 Co8 O12\n1.0\n1.471728 -4.917777 0.000000\n1.471728 4.917777 0.000000\n0.000000 0.000000 14.998474\nZn Co O\n2 8 12\ndirect\n0.344058 0.655942 0.750000 Zn\n0.655942 0.344058 0.250000 Zn\n0.137498 0.862502 0.044871 Co\n0.595960 0.404040 0.637805 Co\n0.862502 0.137498 0.955129 Co\n0.404040 0.595960 0.362195 Co\n0.137498 0.862502 0.455129 Co\n0.862502 0.137498 0.544871 Co\n0.404040 0.595960 0.137805 Co\n0.595960 0.404040 0.862195 Co\n0.500000 0.500000 0.500000 O\n0.500000 0.500000 0.000000 O\n0.951336 0.048664 0.841429 O\n0.048664 0.951336 0.158571 O\n0.048664 0.951336 0.341429 O\n0.951336 0.048664 0.658571 O\n0.221684 0.778316 0.925538 O\n0.778316 0.221684 0.074462 O\n0.778316 0.221684 0.425538 O\n0.221684 0.778316 0.574462 O\n0.696937 0.303063 0.750000 O\n0.303063 0.696937 0.250000 O\n",
"nsites": 22,
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"elements": [
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"chemical_system": "Co-O-Zn",
"density": 6.07501395778564,
"density_atomic": 0.10133260948099208,
"volume": 217.1068140125884,
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"formula_full": "Zn2 Co8 O12",
"formula_reduced": "Zn(Co2O3)2",
"formula_anonymous": "AB4C6",
"energy": -142.45861541,
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"spacegroup": 63
},
{
"id": "mp-1043056",
"created_at": "2022-09-04T14:44:16.540210Z",
"structure_string": "Mg3 Fe4 Bi6 O24\n1.0\n6.601864 0.000000 0.000000\n-2.679882 7.537029 0.000000\n-1.550523 -3.444420 10.625463\nMg Fe Bi O\n3 4 6 24\ndirect\n0.500000 0.000000 0.500000 Mg\n0.483193 0.521517 0.799430 Mg\n0.516807 0.478483 0.200570 Mg\n0.229836 0.630242 0.589036 Fe\n0.770164 0.369758 0.410964 Fe\n0.970961 0.781815 0.983202 Fe\n0.029039 0.218185 0.016798 Fe\n0.863319 0.335592 0.732169 Bi\n0.136681 0.664408 0.267831 Bi\n0.863108 0.812150 0.686574 Bi\n0.394576 0.089210 0.891057 Bi\n0.136892 0.187850 0.313426 Bi\n0.605424 0.910790 0.108943 Bi\n0.786282 0.029184 0.631285 O\n0.213718 0.970816 0.368715 O\n0.535818 0.278867 0.790943 O\n0.464182 0.721133 0.209057 O\n0.660542 0.273015 0.549527 O\n0.339458 0.726985 0.450473 O\n0.919555 0.627806 0.539066 O\n0.080445 0.372194 0.460934 O\n0.359711 0.287238 0.033599 O\n0.640289 0.712762 0.966401 O\n0.822214 0.515420 0.289245 O\n0.177786 0.484580 0.710755 O\n0.526862 0.672829 0.673473 O\n0.986184 0.015625 0.119233 O\n0.013816 0.984375 0.880767 O\n0.763183 0.108878 0.294134 O\n0.236817 0.891122 0.705866 O\n0.963663 0.645911 0.097381 O\n0.036337 0.354089 0.902619 O\n0.848584 0.610932 0.802537 O\n0.151416 0.389068 0.197463 O\n0.700465 0.117038 0.001660 O\n0.299535 0.882962 0.998340 O\n0.473138 0.327171 0.326527 O\n",
"nsites": 37,
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"elements": [
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"Fe",
"Bi",
"O"
],
"chemical_system": "Bi-Fe-Mg-O",
"density": 6.074737910801253,
"density_atomic": 0.06998212101508729,
"volume": 528.7064676422605,
"volume_molar": 8.605256132065076,
"formula_full": "Mg3 Fe4 Bi6 O24",
"formula_reduced": "Mg3Fe4(BiO4)6",
"formula_anonymous": "A3B4C6D24",
"energy": -239.666813,
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"updated_at": "2021-11-28T01:36:31.718000Z",
"spacegroup": 2
},
{
"id": "mp-1043054",
"created_at": "2022-09-04T14:48:13.690169Z",
"structure_string": "Ti4 Zn4 Ni4 P8 O36\n1.0\n6.272034 0.000000 0.000000\n0.000000 7.343253 0.000000\n0.000000 0.000000 14.359966\nTi Zn Ni P O\n4 4 4 8 36\ndirect\n0.750000 0.347622 0.885123 Ti\n0.250000 0.652378 0.114877 Ti\n0.250000 0.847622 0.614877 Ti\n0.750000 0.152378 0.385123 Ti\n0.750000 0.884006 0.783297 Zn\n0.750000 0.615994 0.283297 Zn\n0.250000 0.115994 0.216703 Zn\n0.250000 0.384006 0.716703 Zn\n0.500000 0.000000 0.000000 Ni\n0.500000 0.500000 0.500000 Ni\n0.000000 0.500000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.250000 0.356243 0.930438 P\n0.750000 0.643757 0.069562 P\n0.750000 0.856243 0.569562 P\n0.250000 0.143757 0.430438 P\n0.750000 0.390033 0.698528 P\n0.250000 0.609967 0.301472 P\n0.250000 0.890033 0.801472 P\n0.750000 0.109967 0.198528 P\n0.038099 0.610767 0.359548 O\n0.538099 0.389233 0.640452 O\n0.961901 0.110767 0.140452 O\n0.461901 0.889233 0.859548 O\n0.961901 0.389233 0.640452 O\n0.461901 0.610767 0.359548 O\n0.038099 0.889233 0.859548 O\n0.538099 0.110767 0.140452 O\n0.250000 0.332976 0.475419 O\n0.750000 0.667024 0.524581 O\n0.750000 0.832976 0.024581 O\n0.250000 0.167024 0.975419 O\n0.750000 0.143552 0.947503 O\n0.250000 0.856448 0.052497 O\n0.250000 0.643552 0.552497 O\n0.750000 0.356448 0.447503 O\n0.750000 0.213701 0.761552 O\n0.250000 0.786299 0.238448 O\n0.250000 0.713701 0.738448 O\n0.750000 0.286299 0.261552 O\n0.440256 0.121078 0.362608 O\n0.940256 0.878922 0.637392 O\n0.559744 0.621078 0.137392 O\n0.059744 0.378922 0.862608 O\n0.559744 0.878922 0.637392 O\n0.059744 0.121078 0.362608 O\n0.440256 0.378922 0.862608 O\n0.940256 0.621078 0.137392 O\n0.750000 0.949924 0.269614 O\n0.250000 0.050076 0.730386 O\n0.250000 0.449924 0.230386 O\n0.750000 0.550076 0.769614 O\n0.750000 0.999690 0.493090 O\n0.250000 0.000310 0.506910 O\n0.250000 0.499690 0.006910 O\n0.750000 0.500310 0.993090 O\n",
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"elements": [
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"Zn",
"Ni",
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"O"
],
"chemical_system": "Ni-O-P-Ti-Zn",
"density": 3.795324528996789,
"density_atomic": 0.08467159094083902,
"volume": 661.3788565651001,
"volume_molar": 7.112351017719434,
"formula_full": "Ti4 Zn4 Ni4 P8 O36",
"formula_reduced": "TiZnNiP2O9",
"formula_anonymous": "ABCD2E9",
"energy": -423.85061882,
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"updated_at": "2021-11-28T01:38:48.733000Z",
"spacegroup": 62
},
{
"id": "mp-1043041",
"created_at": "2022-09-04T14:47:55.979309Z",
"structure_string": "Sn4 Ge8 O24\n1.0\n9.161076 0.000000 0.000000\n0.000000 5.632264 0.000000\n0.000000 2.569823 9.682025\nSn Ge O\n4 8 24\ndirect\n0.644954 0.006508 0.248964 Sn\n0.144954 0.493492 0.751036 Sn\n0.355046 0.993492 0.751036 Sn\n0.855046 0.506508 0.248964 Sn\n0.334508 0.180206 0.050711 Ge\n0.834508 0.319794 0.949289 Ge\n0.665492 0.819794 0.949289 Ge\n0.165492 0.680206 0.050711 Ge\n0.336984 0.810514 0.453896 Ge\n0.836984 0.689486 0.546104 Ge\n0.663016 0.189486 0.546104 Ge\n0.163016 0.310514 0.453896 Ge\n0.244922 0.596243 0.384528 O\n0.744922 0.903757 0.615472 O\n0.755078 0.403757 0.615472 O\n0.255078 0.096243 0.384528 O\n0.287399 0.869145 0.112440 O\n0.787399 0.630855 0.887560 O\n0.712601 0.130855 0.887560 O\n0.212601 0.369145 0.112440 O\n0.978626 0.317167 0.407003 O\n0.478626 0.182833 0.592997 O\n0.021374 0.682833 0.592997 O\n0.521374 0.817167 0.407003 O\n0.986777 0.711442 0.104113 O\n0.486777 0.788558 0.895887 O\n0.013223 0.288558 0.895887 O\n0.513223 0.211442 0.104113 O\n0.319294 0.261099 0.863091 O\n0.819294 0.238901 0.136909 O\n0.680706 0.738901 0.136909 O\n0.180706 0.761099 0.863091 O\n0.318827 0.723451 0.641004 O\n0.818827 0.776549 0.358996 O\n0.681173 0.276549 0.358996 O\n0.181173 0.223451 0.641004 O\n",
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"density": 4.786295342364033,
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"volume": 499.5692391597755,
"volume_molar": 8.356878548850757,
"formula_full": "Sn4 Ge8 O24",
"formula_reduced": "Sn(GeO3)2",
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"energy": -245.3576687,
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"updated_at": "2021-11-28T01:38:20.346000Z",
"spacegroup": 14
},
{
"id": "mp-1043039",
"created_at": "2022-09-04T14:44:26.047119Z",
"structure_string": "Sr4 Y2 Mn2 Cu4 O14\n1.0\n5.298276 0.001711 -1.222736\n-0.283135 5.290552 -1.234568\n0.067386 0.088621 12.384714\nSr Y Mn Cu O\n4 2 2 4 14\ndirect\n0.330738 0.343579 0.701212 Sr\n0.629562 0.657288 0.298547 Sr\n0.830889 0.858412 0.701071 Sr\n0.129519 0.142130 0.298568 Sr\n0.983041 0.000472 0.999772 Y\n0.483120 0.500508 0.999799 Y\n0.274289 0.685152 0.500118 Mn\n0.774462 0.316275 0.499821 Mn\n0.912233 0.430670 0.858890 Cu\n0.053228 0.570252 0.140337 Cu\n0.412458 0.929484 0.859237 Cu\n0.553313 0.071669 0.140659 Cu\n0.132222 0.340266 0.499733 O\n0.632447 0.660509 0.499755 O\n0.177709 0.195733 0.875378 O\n0.302888 0.805846 0.124586 O\n0.678215 0.180810 0.875210 O\n0.802988 0.820355 0.124498 O\n0.663212 0.680318 0.875068 O\n0.788060 0.320567 0.124796 O\n0.162983 0.695285 0.875068 O\n0.287970 0.306640 0.124401 O\n0.302797 0.838126 0.655366 O\n0.648016 0.163231 0.344596 O\n0.803871 0.319688 0.655303 O\n0.148122 0.683167 0.345090 O\n",
"nsites": 26,
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"elements": [
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"Y",
"Mn",
"Cu",
"O"
],
"chemical_system": "Cu-Mn-O-Sr-Y",
"density": 5.323669826595148,
"density_atomic": 0.07466852253513137,
"volume": 348.2056309305847,
"volume_molar": 8.065166626494578,
"formula_full": "Sr4 Y2 Mn2 Cu4 O14",
"formula_reduced": "Sr2YMnCu2O7",
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"energy": -185.98823452,
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"updated_at": "2021-11-28T01:36:41.352000Z",
"spacegroup": 46
},
{
"id": "mp-1043036",
"created_at": "2022-09-04T14:41:24.337461Z",
"structure_string": "Mg4 Sn4 Ge8 O24\n1.0\n10.211833 0.000000 0.000000\n0.000000 5.474245 0.000000\n0.000000 2.485759 10.211616\nMg Sn Ge O\n4 4 8 24\ndirect\n0.525842 0.223643 0.224907 Mg\n0.025842 0.276357 0.775093 Mg\n0.474158 0.776357 0.775093 Mg\n0.974158 0.723643 0.224907 Mg\n0.375342 0.710791 0.261951 Sn\n0.875342 0.789209 0.738049 Sn\n0.624658 0.289209 0.738049 Sn\n0.124658 0.210791 0.261951 Sn\n0.659207 0.777229 0.054559 Ge\n0.159207 0.722771 0.945441 Ge\n0.340793 0.222771 0.945441 Ge\n0.840793 0.277229 0.054559 Ge\n0.651171 0.756849 0.468582 Ge\n0.151171 0.743151 0.531418 Ge\n0.348829 0.243151 0.531418 Ge\n0.848829 0.256849 0.468582 Ge\n0.789375 0.962149 0.444071 O\n0.289375 0.537851 0.555929 O\n0.210625 0.037851 0.555929 O\n0.710625 0.462149 0.444071 O\n0.693169 0.079181 0.099216 O\n0.193169 0.420819 0.900784 O\n0.306831 0.920819 0.900784 O\n0.806831 0.579181 0.099216 O\n0.959637 0.380833 0.342882 O\n0.459637 0.119167 0.657118 O\n0.040363 0.619167 0.657118 O\n0.540363 0.880833 0.342882 O\n0.961546 0.094442 0.151919 O\n0.461546 0.405558 0.848081 O\n0.038454 0.905558 0.848081 O\n0.538454 0.594442 0.151919 O\n0.616406 0.852272 0.890709 O\n0.116406 0.647728 0.109291 O\n0.383594 0.147728 0.109291 O\n0.883594 0.352272 0.890709 O\n0.580469 0.680075 0.624997 O\n0.080469 0.819925 0.375003 O\n0.419531 0.319925 0.375003 O\n0.919531 0.180075 0.624997 O\n",
"nsites": 40,
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"elements": [
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],
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"volume": 570.8505310708754,
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"formula_full": "Mg4 Sn4 Ge8 O24",
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"formula_anonymous": "ABC2D6",
"energy": -264.41678086,
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"updated_at": "2021-11-28T01:35:13.454000Z",
"spacegroup": 14
},
{
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