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{
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"results": [
{
"id": "mp-759832",
"created_at": "2022-09-04T14:46:52.245990Z",
"structure_string": "Na9 Mn15 O32\n1.0\n-5.960751 0.000000 0.000000\n2.967236 5.348137 0.000000\n2.792823 -1.032291 -19.855366\nNa Mn O\n9 15 32\ndirect\n0.565703 0.038213 0.091871 Na\n0.000000 0.000000 0.000000 Na\n0.434297 0.961787 0.908129 Na\n0.055685 0.265126 0.846665 Na\n0.555697 0.526611 0.592635 Na\n0.444303 0.473389 0.407365 Na\n0.950015 0.238546 0.658038 Na\n0.049985 0.761454 0.341962 Na\n0.944315 0.734874 0.153335 Na\n0.000000 0.500000 0.000000 Mn\n0.741403 0.605971 0.875603 Mn\n0.502504 0.250141 0.751201 Mn\n0.258597 0.394029 0.124397 Mn\n0.502395 0.751178 0.751522 Mn\n0.000979 0.750754 0.750964 Mn\n0.500000 0.500000 0.000000 Mn\n0.251364 0.878432 0.625382 Mn\n0.999021 0.249246 0.249036 Mn\n0.000000 0.000000 0.500000 Mn\n0.500000 0.000000 0.500000 Mn\n0.497496 0.749859 0.248799 Mn\n0.748636 0.121568 0.374618 Mn\n0.000000 0.500000 0.500000 Mn\n0.497605 0.248822 0.248478 Mn\n0.947133 0.262870 0.068192 O\n0.351880 0.650345 0.054549 O\n0.648120 0.349655 0.945451 O\n0.842701 0.640932 0.045650 O\n0.052867 0.737130 0.931808 O\n0.616392 0.739082 0.931262 O\n0.841379 0.452301 0.804431 O\n0.383608 0.260918 0.068738 O\n0.640941 0.575248 0.702925 O\n0.838584 0.867310 0.808663 O\n0.337950 0.128977 0.558201 O\n0.157299 0.359068 0.954350 O\n0.360701 0.929299 0.798449 O\n0.087278 0.297433 0.448938 O\n0.160287 0.044823 0.696011 O\n0.596080 0.047891 0.700025 O\n0.416386 0.452257 0.804721 O\n0.912722 0.702567 0.551062 O\n0.339453 0.712704 0.553257 O\n0.164743 0.877275 0.447877 O\n0.359059 0.424752 0.297075 O\n0.662050 0.871023 0.441799 O\n0.835257 0.122725 0.552123 O\n0.165267 0.630912 0.693187 O\n0.158621 0.547699 0.195569 O\n0.660547 0.287296 0.446743 O\n0.403920 0.952109 0.299975 O\n0.839713 0.955177 0.303989 O\n0.834733 0.369088 0.306813 O\n0.639299 0.070701 0.201551 O\n0.161416 0.132690 0.191337 O\n0.583614 0.547743 0.195279 O\n",
"nsites": 56,
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"elements": [
"Na",
"Mn",
"O"
],
"chemical_system": "Mn-Na-O",
"density": 4.047829345542287,
"density_atomic": 0.08847215907915246,
"volume": 632.9674847191088,
"volume_molar": 6.806820159788611,
"formula_full": "Na9 Mn15 O32",
"formula_reduced": "Na9Mn15O32",
"formula_anonymous": "A9B15C32",
"energy": -413.99279842,
"energy_per_atom": -7.392728543214285,
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"updated_at": "2021-11-28T01:37:39.422000Z",
"spacegroup": 2
},
{
"id": "mp-1221119",
"created_at": "2022-09-04T14:40:56.922507Z",
"structure_string": "Na1 Ca3 Mg3 Fe1 Si8 O24\n1.0\n8.992895 0.000000 0.000000\n0.000000 5.319744 0.000000\n0.000000 2.547291 9.450660\nNa Ca Mg Fe Si O\n1 3 3 1 8 24\ndirect\n0.302894 0.000000 0.000000 Na\n0.797995 0.500000 0.500000 Ca\n0.201564 0.000000 0.500000 Ca\n0.695972 0.500000 0.000000 Ca\n0.408205 0.500000 0.500000 Mg\n0.906209 0.000000 0.000000 Mg\n0.591212 0.000000 0.500000 Mg\n0.102466 0.500000 0.000000 Fe\n0.093858 0.692515 0.285813 Si\n0.590971 0.192403 0.787613 Si\n0.093858 0.307485 0.714187 Si\n0.590971 0.807597 0.212387 Si\n0.907789 0.806022 0.713133 Si\n0.407478 0.306620 0.212051 Si\n0.907789 0.193978 0.286867 Si\n0.407478 0.693380 0.787949 Si\n0.016951 0.396471 0.351364 O\n0.517353 0.895119 0.850052 O\n0.016951 0.603529 0.648636 O\n0.517353 0.104881 0.149948 O\n0.983687 0.101785 0.651103 O\n0.485128 0.599010 0.149558 O\n0.983687 0.898215 0.348897 O\n0.485128 0.400990 0.850442 O\n0.082994 0.767982 0.114340 O\n0.587048 0.276193 0.615733 O\n0.082994 0.232018 0.885660 O\n0.587048 0.723807 0.384267 O\n0.916924 0.719823 0.885582 O\n0.410735 0.222991 0.383607 O\n0.916924 0.280177 0.114418 O\n0.410735 0.777009 0.616393 O\n0.249414 0.707441 0.361982 O\n0.749357 0.205752 0.862004 O\n0.249414 0.292559 0.638018 O\n0.749357 0.794248 0.137996 O\n0.750590 0.792906 0.638751 O\n0.246466 0.300139 0.138484 O\n0.750590 0.207094 0.361249 O\n0.246466 0.699861 0.861516 O\n",
"nsites": 40,
"nelements": 6,
"elements": [
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"Ca",
"Mg",
"Fe",
"Si",
"O"
],
"chemical_system": "Ca-Fe-Mg-Na-O-Si",
"density": 3.234459393663135,
"density_atomic": 0.08847235671760381,
"volume": 452.1186219519005,
"volume_molar": 6.806804954028927,
"formula_full": "Na1 Ca3 Mg3 Fe1 Si8 O24",
"formula_reduced": "NaCa3Mg3Fe(SiO3)8",
"formula_anonymous": "ABC3D3E8F24",
"energy": -310.45471294000004,
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"updated_at": "2021-11-28T01:35:23.328000Z",
"spacegroup": 3
},
{
"id": "mp-758701",
"created_at": "2022-09-04T14:39:58.012909Z",
"structure_string": "Li4 Ti3 Mn3 Sb2 O16\n1.0\n3.002906 5.320891 0.000000\n-3.002906 5.320891 0.000000\n0.000000 0.306644 9.903584\nLi Ti Mn Sb O\n4 3 3 2 16\ndirect\n0.655929 0.655929 0.096045 Li\n0.995286 0.995286 0.011861 Li\n0.008963 0.008963 0.509438 Li\n0.334382 0.334382 0.602209 Li\n0.347000 0.834181 0.783968 Ti\n0.834181 0.347000 0.783968 Ti\n0.170765 0.170765 0.283522 Ti\n0.832055 0.832055 0.793499 Mn\n0.172203 0.662446 0.284230 Mn\n0.662446 0.172203 0.284230 Mn\n0.677384 0.677384 0.503937 Sb\n0.332173 0.332173 0.012567 Sb\n0.335649 0.854040 0.394614 O\n0.520023 0.520023 0.670532 O\n0.649589 0.649589 0.894407 O\n0.011547 0.011547 0.700202 O\n0.002902 0.002902 0.196618 O\n0.854040 0.335649 0.394614 O\n0.492872 0.970179 0.665104 O\n0.970179 0.492872 0.665104 O\n0.165842 0.165842 0.903079 O\n0.848945 0.848945 0.405675 O\n0.031459 0.462746 0.147700 O\n0.462746 0.031459 0.147700 O\n0.325273 0.325273 0.388250 O\n0.174011 0.665089 0.909867 O\n0.473609 0.473609 0.149817 O\n0.665089 0.174011 0.909867 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
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"Ti",
"Mn",
"Sb",
"O"
],
"chemical_system": "Li-Mn-O-Sb-Ti",
"density": 4.384757462860975,
"density_atomic": 0.08847275396001764,
"volume": 316.48161435840103,
"volume_molar": 6.806774391494029,
"formula_full": "Li4 Ti3 Mn3 Sb2 O16",
"formula_reduced": "Li4Ti3Mn3(SbO8)2",
"formula_anonymous": "A2B3C3D4E16",
"energy": -216.98949492,
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"energy_uncorrected": -200.99349492,
"band_gap": 0.0251000000000001,
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"updated_at": "2021-11-28T01:34:43.875000Z",
"spacegroup": 8
},
{
"id": "mp-540237",
"created_at": "2022-09-04T14:42:42.291774Z",
"structure_string": "Li14 Ni9 P16 O56\n1.0\n9.591124 -0.013956 -4.730932\n-1.754524 8.804084 3.337266\n0.004615 -0.014879 12.713429\nLi Ni P O\n14 9 16 56\ndirect\n0.025739 0.136324 0.902234 Li\n0.100577 0.917585 0.570540 Li\n0.381758 0.053291 0.897639 Li\n0.104840 0.418993 0.072744 Li\n0.497674 0.376168 0.818409 Li\n0.382273 0.550090 0.399959 Li\n0.464587 0.877322 0.326147 Li\n0.535413 0.122678 0.673853 Li\n0.617727 0.449910 0.600041 Li\n0.502326 0.623832 0.181591 Li\n0.895160 0.581007 0.927256 Li\n0.618242 0.946709 0.102361 Li\n0.899423 0.082415 0.429460 Li\n0.974261 0.863676 0.097766 Li\n0.221175 0.701506 0.919056 Ni\n0.000000 0.500000 0.500000 Ni\n0.258617 0.568095 0.700564 Ni\n0.219109 0.197766 0.420534 Ni\n0.749572 0.932444 0.805614 Ni\n0.250428 0.067556 0.194386 Ni\n0.780891 0.802234 0.579466 Ni\n0.741383 0.431905 0.299436 Ni\n0.778825 0.298494 0.080944 Ni\n0.052531 0.964056 0.775996 P\n0.300727 0.370549 0.985259 P\n0.053712 0.467033 0.277269 P\n0.195267 0.235109 0.653677 P\n0.466944 0.801477 0.868901 P\n0.290120 0.856991 0.481374 P\n0.200175 0.733176 0.152768 P\n0.533519 0.702596 0.629282 P\n0.466481 0.297404 0.370718 P\n0.799825 0.266824 0.847232 P\n0.709880 0.143009 0.518626 P\n0.533056 0.198523 0.131099 P\n0.804733 0.764891 0.346323 P\n0.946288 0.532967 0.722731 P\n0.699273 0.629451 0.014741 P\n0.947469 0.035944 0.224004 P\n0.019825 0.600599 0.832850 O\n0.196491 0.919213 0.858973 O\n0.042644 0.556706 0.655233 O\n0.089242 0.148417 0.728098 O\n0.312427 0.738859 0.790661 O\n0.461249 0.844071 0.973386 O\n0.264970 0.984615 0.512432 O\n0.196733 0.703403 0.517376 O\n0.294555 0.405356 0.857599 O\n0.171303 0.399172 0.606159 O\n0.091995 0.649804 0.227287 O\n0.016136 0.104993 0.333199 O\n0.137141 0.155440 0.550303 O\n0.294802 0.896031 0.356275 O\n0.174656 0.894879 0.107223 O\n0.548372 0.928010 0.797511 O\n0.196227 0.418856 0.359853 O\n0.540149 0.656570 0.925201 O\n0.346376 0.218036 0.740344 O\n0.453174 0.841901 0.574636 O\n0.138646 0.652388 0.049605 O\n0.042361 0.054761 0.157731 O\n0.456639 0.571267 0.702097 O\n0.350991 0.709441 0.238965 O\n0.713486 0.499397 0.978236 O\n0.800535 0.777217 0.981168 O\n0.312228 0.232361 0.294375 O\n0.538719 0.663391 0.522640 O\n0.461281 0.336609 0.477360 O\n0.687772 0.767639 0.705625 O\n0.199465 0.222783 0.018832 O\n0.286514 0.500603 0.021764 O\n0.649009 0.290559 0.761035 O\n0.543361 0.428733 0.297903 O\n0.957639 0.945239 0.842269 O\n0.861354 0.347612 0.950395 O\n0.546826 0.158099 0.425364 O\n0.653624 0.781964 0.259656 O\n0.459850 0.343430 0.074799 O\n0.803773 0.581144 0.640147 O\n0.451628 0.071990 0.202489 O\n0.825344 0.105121 0.892777 O\n0.705198 0.103969 0.643725 O\n0.862859 0.844560 0.449697 O\n0.983864 0.895007 0.666801 O\n0.908005 0.350196 0.772713 O\n0.828697 0.600828 0.393841 O\n0.705445 0.594644 0.142401 O\n0.803267 0.296597 0.482624 O\n0.735030 0.015385 0.487568 O\n0.538751 0.155929 0.026614 O\n0.687573 0.261141 0.209339 O\n0.910758 0.851583 0.271902 O\n0.957356 0.443294 0.344767 O\n0.803509 0.080787 0.141027 O\n0.980175 0.399401 0.167150 O\n",
"nsites": 95,
"nelements": 4,
"elements": [
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"O"
],
"chemical_system": "Li-Ni-O-P",
"density": 3.1191468609718247,
"density_atomic": 0.08847341462213427,
"volume": 1073.7688875888928,
"volume_molar": 6.806723562914663,
"formula_full": "Li14 Ni9 P16 O56",
"formula_reduced": "Li14Ni9(P2O7)8",
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"energy": -675.88091434,
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"spacegroup": 2
},
{
"id": "mp-1336034",
"created_at": "2022-09-04T14:40:01.918824Z",
"structure_string": "Li14 Ni9 P16 O56\n1.0\n9.577452 0.000000 0.000000\n-3.418353 10.133431 0.000000\n-0.997123 -5.691872 11.063799\nLi Ni P O\n14 9 16 56\ndirect\n0.136324 0.025739 0.097766 Li\n0.917585 0.100577 0.429460 Li\n0.053291 0.381758 0.102361 Li\n0.418993 0.104840 0.927256 Li\n0.376168 0.497674 0.181591 Li\n0.550090 0.382272 0.600041 Li\n0.877322 0.464587 0.673853 Li\n0.122678 0.535413 0.326147 Li\n0.449910 0.617728 0.399959 Li\n0.623832 0.502326 0.818409 Li\n0.581007 0.895160 0.072744 Li\n0.946709 0.618242 0.897639 Li\n0.082415 0.899423 0.570540 Li\n0.863676 0.974261 0.902234 Li\n0.701506 0.221175 0.080944 Ni\n0.500000 0.000000 0.500000 Ni\n0.568095 0.258617 0.299436 Ni\n0.197766 0.219109 0.579466 Ni\n0.932444 0.749572 0.194386 Ni\n0.067556 0.250428 0.805614 Ni\n0.802234 0.780891 0.420534 Ni\n0.431905 0.741383 0.700564 Ni\n0.298494 0.778825 0.919056 Ni\n0.964056 0.052531 0.224004 P\n0.370549 0.300727 0.014741 P\n0.467033 0.053712 0.722731 P\n0.235109 0.195267 0.346323 P\n0.801477 0.466944 0.131099 P\n0.856991 0.290120 0.518626 P\n0.733176 0.200175 0.847232 P\n0.702596 0.533519 0.370718 P\n0.297404 0.466481 0.629282 P\n0.266824 0.799825 0.152768 P\n0.143009 0.709880 0.481374 P\n0.198523 0.533056 0.868901 P\n0.764891 0.804733 0.653677 P\n0.532967 0.946288 0.277269 P\n0.629451 0.699273 0.985259 P\n0.035944 0.947469 0.775996 P\n0.600599 0.019825 0.167150 O\n0.919213 0.196491 0.141027 O\n0.556706 0.042644 0.344767 O\n0.148417 0.089242 0.271902 O\n0.738859 0.312427 0.209339 O\n0.844071 0.461249 0.026614 O\n0.984615 0.264970 0.487568 O\n0.703403 0.196733 0.482624 O\n0.405356 0.294555 0.142401 O\n0.399172 0.171303 0.393841 O\n0.649804 0.091995 0.772713 O\n0.104993 0.016136 0.666801 O\n0.155440 0.137141 0.449697 O\n0.896031 0.294802 0.643725 O\n0.894879 0.174656 0.892777 O\n0.928010 0.548372 0.202489 O\n0.418856 0.196227 0.640147 O\n0.656570 0.540149 0.074799 O\n0.218036 0.346376 0.259656 O\n0.841901 0.453174 0.425364 O\n0.652388 0.138646 0.950395 O\n0.054761 0.042361 0.842269 O\n0.571267 0.456639 0.297903 O\n0.709441 0.350991 0.761035 O\n0.499397 0.713486 0.021764 O\n0.777217 0.800535 0.018832 O\n0.232361 0.312228 0.705625 O\n0.663391 0.538719 0.477360 O\n0.336609 0.461281 0.522640 O\n0.767639 0.687772 0.294375 O\n0.222783 0.199465 0.981168 O\n0.500603 0.286514 0.978236 O\n0.290559 0.649009 0.238965 O\n0.428733 0.543361 0.702097 O\n0.945239 0.957639 0.157731 O\n0.347612 0.861354 0.049605 O\n0.158099 0.546826 0.574636 O\n0.781964 0.653624 0.740344 O\n0.343430 0.459851 0.925201 O\n0.581144 0.803773 0.359853 O\n0.071990 0.451628 0.797511 O\n0.105121 0.825344 0.107223 O\n0.103969 0.705198 0.356275 O\n0.844560 0.862859 0.550303 O\n0.895007 0.983864 0.333199 O\n0.350196 0.908005 0.227287 O\n0.600828 0.828697 0.606159 O\n0.594644 0.705445 0.857599 O\n0.296597 0.803267 0.517376 O\n0.015385 0.735030 0.512432 O\n0.155929 0.538751 0.973386 O\n0.261141 0.687573 0.790661 O\n0.851583 0.910758 0.728098 O\n0.443294 0.957356 0.655233 O\n0.080787 0.803509 0.858973 O\n0.399401 0.980175 0.832850 O\n",
"nsites": 95,
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"elements": [
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],
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"volume": 1073.7687881695433,
"volume_molar": 6.806722932685908,
"formula_full": "Li14 Ni9 P16 O56",
"formula_reduced": "Li14Ni9(P2O7)8",
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"energy": -347.13184178,
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"updated_at": "2021-11-28T01:35:05.957000Z",
"spacegroup": 2
},
{
"id": "mp-23891",
"created_at": "2022-09-04T14:39:26.072535Z",
"structure_string": "Na2 H2 O2\n1.0\n1.715912 -5.778878 0.000000\n1.715912 5.778878 0.000000\n0.000000 0.000000 3.419557\nNa H O\n2 2 2\ndirect\n0.337125 0.662875 0.250000 Na\n0.662875 0.337125 0.750000 Na\n0.051211 0.948789 0.250000 H\n0.948789 0.051211 0.750000 H\n0.864632 0.135368 0.750000 O\n0.135368 0.864632 0.250000 O\n",
"nsites": 6,
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"elements": [
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"H",
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