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{
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"results": [
{
"id": "mp-766703",
"created_at": "2022-09-04T14:47:55.882733Z",
"structure_string": "Li12 Co4 P4 C4 O28\n1.0\n6.390673 0.000000 0.000000\n0.000000 9.448495 0.000000\n0.000000 4.365222 8.827152\nLi Co P C O\n12 4 4 4 28\ndirect\n0.250922 0.098255 0.318627 Li\n0.249078 0.098255 0.818627 Li\n0.012988 0.279226 0.491564 Li\n0.487012 0.279226 0.991564 Li\n0.753133 0.346524 0.686840 Li\n0.746867 0.346524 0.186840 Li\n0.246867 0.653476 0.313160 Li\n0.253133 0.653476 0.813160 Li\n0.987012 0.720774 0.508436 Li\n0.512988 0.720774 0.008436 Li\n0.749078 0.901745 0.681373 Li\n0.750922 0.901745 0.181373 Li\n0.493778 0.275766 0.488562 Co\n0.006222 0.275766 0.988562 Co\n0.506222 0.724234 0.511438 Co\n0.993778 0.724234 0.011438 Co\n0.247576 0.408679 0.685717 P\n0.252424 0.408679 0.185717 P\n0.752424 0.591321 0.314283 P\n0.747576 0.591321 0.814283 P\n0.741429 0.038346 0.378361 C\n0.758571 0.038346 0.878361 C\n0.258571 0.961654 0.621639 C\n0.241429 0.961654 0.121639 C\n0.747579 0.068939 0.739232 O\n0.752421 0.068939 0.239232 O\n0.262584 0.110718 0.515055 O\n0.738479 0.148510 0.422985 O\n0.237416 0.110718 0.015055 O\n0.761521 0.148510 0.922985 O\n0.056653 0.314133 0.678362 O\n0.440959 0.309931 0.679271 O\n0.059041 0.309931 0.179271 O\n0.443347 0.314133 0.178362 O\n0.744665 0.420624 0.445635 O\n0.252082 0.420947 0.338934 O\n0.755335 0.420624 0.945635 O\n0.247918 0.420947 0.838934 O\n0.747918 0.579053 0.661066 O\n0.255335 0.579376 0.554365 O\n0.752082 0.579053 0.161066 O\n0.244665 0.579376 0.054365 O\n0.943347 0.685867 0.321638 O\n0.559041 0.690069 0.320729 O\n0.940959 0.690069 0.820729 O\n0.556653 0.685867 0.821638 O\n0.261521 0.851490 0.577015 O\n0.737416 0.889282 0.484945 O\n0.238479 0.851490 0.077015 O\n0.762584 0.889282 0.984945 O\n0.252421 0.931061 0.260768 O\n0.247579 0.931061 0.760768 O\n",
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"elements": [
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"P",
"C",
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],
"chemical_system": "C-Co-Li-O-P",
"density": 2.92522849606949,
"density_atomic": 0.09756038489562677,
"volume": 533.0032272385074,
"volume_molar": 6.172731653777995,
"formula_full": "Li12 Co4 P4 C4 O28",
"formula_reduced": "Li3CoPCO7",
"formula_anonymous": "ABCD3E7",
"energy": -366.23416973,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:21.381000Z",
"spacegroup": 14
},
{
"id": "mp-1201349",
"created_at": "2022-09-04T14:47:55.885235Z",
"structure_string": "Pr4 H32 S6 O40\n1.0\n0.000000 -6.888029 0.000000\n-6.987049 3.444014 0.000000\n4.035506 0.000000 -18.195822\nPr H S O\n4 32 6 40\ndirect\n0.857656 0.660092 0.606891 Pr\n0.197564 0.339908 0.893109 Pr\n0.142344 0.339908 0.393109 Pr\n0.802436 0.660092 0.106891 Pr\n0.691257 0.985846 0.660082 H\n0.705410 0.014154 0.839918 H\n0.308743 0.014154 0.339918 H\n0.294590 0.985847 0.160082 H\n0.941485 0.103349 0.648125 H\n0.838137 0.896651 0.851875 H\n0.058515 0.896651 0.351875 H\n0.161863 0.103349 0.148125 H\n0.795818 0.543054 0.758554 H\n0.252765 0.456946 0.741446 H\n0.204182 0.456946 0.241446 H\n0.747235 0.543054 0.258554 H\n0.637440 0.342980 0.702297 H\n0.294460 0.657020 0.797703 H\n0.362560 0.657020 0.297703 H\n0.705540 0.342980 0.202297 H\n0.497103 0.278113 0.517398 H\n0.218990 0.721887 0.982602 H\n0.502897 0.721887 0.482602 H\n0.781010 0.278113 0.017398 H\n0.701639 0.235441 0.507305 H\n0.466198 0.764559 0.992695 H\n0.298361 0.764559 0.492695 H\n0.533802 0.235441 0.007305 H\n0.320843 0.988485 0.607578 H\n0.332358 0.011515 0.892422 H\n0.679157 0.011515 0.392422 H\n0.667642 0.988485 0.107578 H\n0.186521 0.019607 0.546722 H\n0.166913 0.980393 0.953278 H\n0.813479 0.980393 0.453278 H\n0.833087 0.019607 0.046722 H\n0.324462 0.000000 0.750000 S\n0.675538 0.000000 0.250000 S\n0.751637 0.571694 0.410506 S\n0.179943 0.428306 0.089494 S\n0.248363 0.428306 0.589494 S\n0.820057 0.571694 0.910506 S\n0.816572 0.970611 0.639803 O\n0.845960 0.029389 0.860197 O\n0.183428 0.029389 0.360197 O\n0.154040 0.970611 0.139803 O\n0.744358 0.480542 0.706007 O\n0.263815 0.519458 0.793993 O\n0.255642 0.519458 0.293993 O\n0.736185 0.480542 0.206007 O\n0.636050 0.302266 0.542265 O\n0.333784 0.697734 0.957735 O\n0.363950 0.697734 0.457735 O\n0.666216 0.302266 0.042265 O\n0.207301 0.917923 0.564673 O\n0.289378 0.082077 0.935327 O\n0.792699 0.082077 0.435327 O\n0.710622 0.917923 0.064673 O\n0.116933 0.833642 0.713870 O\n0.283291 0.166358 0.786130 O\n0.883067 0.166358 0.286130 O\n0.716709 0.833642 0.213870 O\n0.480232 0.064005 0.693256 O\n0.416227 0.935995 0.806744 O\n0.519768 0.935995 0.306744 O\n0.583773 0.064005 0.193256 O\n0.764753 0.710993 0.481845 O\n0.053760 0.289007 0.018155 O\n0.235247 0.289007 0.518155 O\n0.946240 0.710993 0.981845 O\n0.900237 0.486942 0.423331 O\n0.413295 0.513058 0.076669 O\n0.099763 0.513058 0.576669 O\n0.586705 0.486942 0.923331 O\n0.525325 0.413193 0.393093 O\n0.112133 0.586807 0.106907 O\n0.474675 0.586807 0.606907 O\n0.887867 0.413193 0.893093 O\n0.815730 0.680722 0.351187 O\n0.135008 0.319278 0.148813 O\n0.184270 0.319278 0.648813 O\n0.864992 0.680722 0.851187 O\n",
"nsites": 82,
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"elements": [
"Pr",
"H",
"S",
"O"
],
"chemical_system": "H-O-Pr-S",
"density": 2.708277123905708,
"density_atomic": 0.09363827764160561,
"volume": 875.7102550930042,
"volume_molar": 6.431281001397048,
"formula_full": "Pr4 H32 S6 O40",
"formula_reduced": "Pr2H16S3O20",
"formula_anonymous": "A2B3C16D20",
"energy": -500.59882863,
"energy_per_atom": -6.104863763780488,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:38:19.439000Z",
"spacegroup": 15
},
{
"id": "mp-867269",
"created_at": "2022-09-04T14:47:55.887101Z",
"structure_string": "Li1 Ho2 Os1\n1.0\n0.000000 3.447169 3.447169\n3.447169 0.000000 3.447169\n3.447169 3.447169 0.000000\nLi Ho Os\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Li\n0.250000 0.250000 0.250000 Ho\n0.750000 0.750000 0.750000 Ho\n0.000000 0.000000 0.000000 Os\n",
"nsites": 4,
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"elements": [
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"Ho",
"Os"
],
"chemical_system": "Ho-Li-Os",
"density": 10.682381005536783,
"density_atomic": 0.04882500192172463,
"volume": 81.92523999103427,
"volume_molar": 12.334133175569738,
"formula_full": "Li1 Ho2 Os1",
"formula_reduced": "LiHo2Os",
"formula_anonymous": "ABC2",
"energy": -23.33554924,
"energy_per_atom": -5.83388731,
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"updated_at": "2021-11-28T01:38:16.299000Z",
"spacegroup": 225
},
{
"id": "mp-1218154",
"created_at": "2022-09-04T14:47:55.902636Z",
"structure_string": "Sr1 La1 Fe1 O4\n1.0\n-1.968579 1.968579 6.302072\n1.968579 -1.968579 6.302072\n1.968579 1.968579 -6.302072\nSr La Fe O\n1 1 1 4\ndirect\n0.642009 0.642009 0.000000 Sr\n0.358317 0.358317 0.000000 La\n0.004177 0.004177 0.000000 Fe\n0.833462 0.833462 0.000000 O\n0.172627 0.172627 0.000000 O\n0.994704 0.494704 0.500000 O\n0.494704 0.994704 0.500000 O\n",
"nsites": 7,
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"elements": [
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"La",
"Fe",
"O"
],
"chemical_system": "Fe-La-O-Sr",
"density": 5.887594614670473,
"density_atomic": 0.07165541114610088,
"volume": 97.68976115045156,
"volume_molar": 8.404307035125699,
"formula_full": "Sr1 La1 Fe1 O4",
"formula_reduced": "SrLaFeO4",
"formula_anonymous": "ABCD4",
"energy": -55.2073373,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:38:15.755000Z",
"spacegroup": 107
},
{
"id": "mp-1234421",
"created_at": "2022-09-04T14:47:55.904991Z",
"structure_string": "Ca1 Mn6 O5 F7\n1.0\n-4.131893 4.131647 3.038467\n-0.092453 4.888095 -4.195025\n-4.887471 0.092951 -4.194964\nCa Mn O F\n1 6 5 7\ndirect\n0.833234 0.407564 0.925771 Ca\n0.833335 0.894465 0.438878 Mn\n0.715826 0.407678 0.447301 Mn\n0.333345 0.690733 0.642476 Mn\n0.191589 0.280424 0.353019 Mn\n0.475149 0.980236 0.052859 Mn\n0.950903 0.885994 0.925754 Mn\n0.645388 0.641056 0.599625 O\n0.928317 0.201683 0.310456 O\n0.738274 0.022906 0.131664 O\n0.021281 0.733652 0.692344 O\n0.333235 0.974595 0.358564 O\n0.653337 0.064800 0.720149 F\n0.333425 0.388233 0.945159 F\n0.281848 0.878868 0.908626 F\n0.384773 0.424910 0.454225 F\n0.662666 0.640422 0.089677 F\n0.004171 0.243615 0.693082 F\n0.013237 0.613168 0.268702 F\n",
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"elements": [
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],
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"volume": 238.788052741826,
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"formula_full": "Ca1 Mn6 O5 F7",
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"spacegroup": 5
},
{
"id": "mp-1026788",
"created_at": "2022-09-04T14:47:55.908061Z",
"structure_string": "La1 Mg14 Ga1\n1.0\n6.541819 0.000000 0.000000\n-3.270910 5.665381 0.000000\n-0.000000 0.000000 10.375262\nLa Mg Ga\n1 14 1\ndirect\n0.166667 0.333333 0.125000 La\n0.181246 0.840622 0.125000 Mg\n0.161015 0.830507 0.625000 Mg\n0.659378 0.318754 0.125000 Mg\n0.669493 0.338985 0.625000 Mg\n0.659378 0.840622 0.125000 Mg\n0.669493 0.830507 0.625000 Mg\n0.333946 0.166054 0.386081 Mg\n0.333946 0.166054 0.863919 Mg\n0.333946 0.667893 0.386081 Mg\n0.333946 0.667893 0.863919 Mg\n0.832107 0.166054 0.386081 Mg\n0.832107 0.166054 0.863919 Mg\n0.833333 0.666667 0.364617 Mg\n0.833333 0.666667 0.885383 Mg\n0.166667 0.333333 0.625000 Ga\n",
"nsites": 16,
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"elements": [
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],
"chemical_system": "Ga-La-Mg",
"density": 2.370360490484892,
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"volume": 384.52689229793646,
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"formula_full": "La1 Mg14 Ga1",
"formula_reduced": "LaMg14Ga",
"formula_anonymous": "ABC14",
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},
{
"id": "mp-1227165",
"created_at": "2022-09-04T14:47:55.925037Z",
"structure_string": "Ca4 Ti3 Si4 Sn1 O20\n1.0\n5.537673 0.000000 0.000000\n-1.499443 5.335912 0.000000\n-0.509757 -0.710117 13.108657\nCa Ti Si Sn O\n4 3 4 1 20\ndirect\n0.953790 0.289350 0.129115 Ca\n0.454420 0.795969 0.624278 Ca\n0.545580 0.204031 0.375722 Ca\n0.046210 0.710650 0.870885 Ca\n0.000000 0.000000 0.500000 Ti\n0.751878 0.748632 0.252305 Ti\n0.248122 0.251368 0.747695 Ti\n0.194434 0.556601 0.375939 Si\n0.697602 0.059042 0.872383 Si\n0.302398 0.940958 0.127617 Si\n0.805566 0.443399 0.624061 Si\n0.500000 0.500000 0.000000 Sn\n0.417840 0.548107 0.297252 O\n0.914955 0.043495 0.791492 O\n0.283022 0.155955 0.046729 O\n0.796904 0.667903 0.546121 O\n0.085045 0.956505 0.208508 O\n0.582160 0.451893 0.702748 O\n0.203096 0.332097 0.453879 O\n0.716978 0.844045 0.953271 O\n0.804356 0.945701 0.376099 O\n0.294375 0.447587 0.869387 O\n0.705625 0.552413 0.130613 O\n0.195644 0.054299 0.623901 O\n0.232890 0.668150 0.061752 O\n0.746060 0.170569 0.558303 O\n0.921037 0.495889 0.310436 O\n0.421933 0.999612 0.808975 O\n0.253940 0.829431 0.441697 O\n0.767110 0.331850 0.938248 O\n0.578067 0.000388 0.191025 O\n0.078963 0.504111 0.689564 O\n",
"nsites": 32,
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"elements": [
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"Sn",
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],
"chemical_system": "Ca-O-Si-Sn-Ti",
"density": 3.665195734954733,
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"volume": 387.3416208218968,
"volume_molar": 7.28945550873753,
"formula_full": "Ca4 Ti3 Si4 Sn1 O20",
"formula_reduced": "Ca4Ti3Si4SnO20",
"formula_anonymous": "AB3C4D4E20",
"energy": -263.23752043,
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"spacegroup": 2
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{
"id": "mp-1195553",
"created_at": "2022-09-04T14:47:55.909705Z",
"structure_string": "Zr2 Zn40 Fe4\n1.0\n0.000000 6.995506 6.995506\n6.995506 0.000000 6.995506\n6.995506 6.995506 0.000000\nZr Zn Fe\n2 40 4\ndirect\n0.500000 0.500000 0.500000 Zr\n0.750000 0.750000 0.750000 Zr\n0.568459 0.300714 0.300714 Zn\n0.300714 0.568459 0.830114 Zn\n0.300714 0.830114 0.568459 Zn\n0.830114 0.300714 0.300714 Zn\n0.300714 0.300714 0.568459 Zn\n0.568459 0.830114 0.300714 Zn\n0.830114 0.568459 0.300714 Zn\n0.300714 0.300714 0.830114 Zn\n0.300714 0.568459 0.300714 Zn\n0.830114 0.300714 0.568459 Zn\n0.568459 0.300714 0.830114 Zn\n0.300714 0.830114 0.300714 Zn\n0.681541 0.949286 0.949286 Zn\n0.949286 0.681541 0.419886 Zn\n0.949286 0.419886 0.681541 Zn\n0.419886 0.949286 0.949286 Zn\n0.949286 0.949286 0.681541 Zn\n0.681541 0.419886 0.949286 Zn\n0.419886 0.681541 0.949286 Zn\n0.949286 0.949286 0.419886 Zn\n0.949286 0.681541 0.949286 Zn\n0.419886 0.949286 0.681541 Zn\n0.681541 0.949286 0.419886 Zn\n0.949286 0.419886 0.949286 Zn\n0.863732 0.863732 0.136268 Zn\n0.136268 0.136268 0.863732 Zn\n0.863732 0.136268 0.863732 Zn\n0.136268 0.863732 0.136268 Zn\n0.136268 0.863732 0.863732 Zn\n0.863732 0.136268 0.136268 Zn\n0.386268 0.386268 0.113732 Zn\n0.113732 0.113732 0.386268 Zn\n0.386268 0.113732 0.386268 Zn\n0.113732 0.386268 0.113732 Zn\n0.113732 0.386268 0.386268 Zn\n0.386268 0.113732 0.113732 Zn\n0.125000 0.625000 0.625000 Zn\n0.625000 0.125000 0.625000 Zn\n0.625000 0.625000 0.125000 Zn\n0.625000 0.625000 0.625000 Zn\n0.625000 0.125000 0.125000 Fe\n0.125000 0.625000 0.125000 Fe\n0.125000 0.125000 0.625000 Fe\n0.125000 0.125000 0.125000 Fe\n",
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"formula_full": "Zr2 Zn40 Fe4",
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