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{
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"results": [
{
"id": "mp-28771",
"created_at": "2022-09-04T14:40:23.978581Z",
"structure_string": "Sr10 Fe5 N10\n1.0\n6.551854 0.000000 0.000000\n-1.839723 8.469711 0.000000\n-2.975086 -0.666556 8.351280\nSr Fe N\n10 5 10\ndirect\n0.109335 0.849152 0.180097 Sr\n0.890665 0.150848 0.819903 Sr\n0.230697 0.565423 0.935128 Sr\n0.856151 0.135494 0.356936 Sr\n0.143849 0.864506 0.643064 Sr\n0.630571 0.702124 0.732602 Sr\n0.369429 0.297876 0.267398 Sr\n0.617527 0.697901 0.332195 Sr\n0.382473 0.302099 0.667805 Sr\n0.769303 0.434577 0.064872 Sr\n0.500000 0.000000 0.500000 Fe\n0.899524 0.470406 0.592121 Fe\n0.413912 0.107217 0.979396 Fe\n0.586088 0.892783 0.020604 Fe\n0.100476 0.529594 0.407879 Fe\n0.761813 0.931022 0.568789 N\n0.679040 0.713656 0.044531 N\n0.320960 0.286344 0.955469 N\n0.293718 0.893641 0.959164 N\n0.706282 0.106359 0.040836 N\n0.238187 0.068978 0.431211 N\n0.802345 0.443576 0.761349 N\n0.197655 0.556424 0.238651 N\n0.799931 0.440388 0.368398 N\n0.200069 0.559612 0.631602 N\n",
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],
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"volume": 463.43181777318443,
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"formula_full": "Sr10 Fe5 N10",
"formula_reduced": "Sr2FeN2",
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"spacegroup": 2
},
{
"id": "mp-1175757",
"created_at": "2022-09-04T14:46:19.096141Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.754434 5.137758 0.000000\n-5.754434 5.137758 0.000000\n0.000000 1.847338 4.834875\nLi Mn Co O\n9 2 5 16\ndirect\n0.874612 0.626590 0.501377 Li\n0.999738 0.000262 0.500000 Li\n0.119713 0.365235 0.508452 Li\n0.247844 0.752156 0.500000 Li\n0.373410 0.125388 0.498623 Li\n0.499818 0.500182 0.500000 Li\n0.634765 0.880287 0.491548 Li\n0.753146 0.246854 0.500000 Li\n0.876384 0.123616 0.000000 Li\n0.996367 0.499510 0.993873 Mn\n0.500490 0.003633 0.006127 Mn\n0.124055 0.875945 0.000000 Co\n0.240458 0.243815 0.997988 Co\n0.376713 0.623287 0.000000 Co\n0.624035 0.375965 0.000000 Co\n0.756185 0.759542 0.002012 Co\n0.763671 0.507726 0.230834 O\n0.887218 0.868932 0.224268 O\n0.012842 0.268382 0.232648 O\n0.123481 0.625864 0.207060 O\n0.262391 0.003166 0.238277 O\n0.383269 0.381658 0.224288 O\n0.501324 0.762704 0.236165 O\n0.616810 0.130305 0.215117 O\n0.996834 0.737609 0.761723 O\n0.131068 0.112782 0.775732 O\n0.237296 0.498676 0.763835 O\n0.374136 0.876519 0.792940 O\n0.492274 0.236329 0.769166 O\n0.618342 0.616731 0.775712 O\n0.731618 0.987158 0.767352 O\n0.869695 0.383190 0.784883 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
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"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.19949212522354,
"density_atomic": 0.11193308531333551,
"volume": 285.88508849212946,
"volume_molar": 5.380125762764562,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -209.13854172,
"energy_per_atom": -6.53557942875,
"energy_above_hull": null,
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"energy_uncorrected": -186.62054172,
"band_gap": 0.8129999999999997,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:23.475000Z",
"spacegroup": 5
},
{
"id": "mp-1176318",
"created_at": "2022-09-04T14:44:52.638149Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.037095 0.078170 -0.626876\n0.114387 5.584559 1.615507\n-0.445469 0.097836 10.157621\nLi Mn Co O\n9 2 5 16\ndirect\n0.258294 0.625986 0.259310 Li\n0.741706 0.385296 0.740690 Li\n0.258294 0.114704 0.259310 Li\n0.752221 0.370492 0.259017 Li\n0.247779 0.129508 0.740983 Li\n0.743312 0.868234 0.263533 Li\n0.741706 0.874014 0.740690 Li\n0.256688 0.631766 0.736467 Li\n0.500000 0.750000 0.500000 Li\n0.000652 0.999461 0.001079 Mn\n0.999348 0.500539 0.998921 Mn\n0.500000 0.250000 0.500000 Co\n0.000000 0.506738 0.500000 Co\n0.500000 0.250000 0.000000 Co\n0.000000 0.993262 0.500000 Co\n0.500000 0.750000 0.000000 Co\n0.896851 0.690889 0.113703 O\n0.366166 0.424753 0.609233 O\n0.896851 0.195409 0.113703 O\n0.355491 0.444408 0.111183 O\n0.855674 0.194146 0.611708 O\n0.357543 0.942328 0.115343 O\n0.366166 0.966014 0.609233 O\n0.895748 0.690787 0.618426 O\n0.633834 0.533986 0.390767 O\n0.103149 0.304591 0.886297 O\n0.633834 0.075247 0.390767 O\n0.144326 0.305854 0.388292 O\n0.644509 0.055592 0.888817 O\n0.104252 0.809213 0.381574 O\n0.103149 0.809111 0.886297 O\n0.642457 0.557672 0.884657 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
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"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.238954234796444,
"density_atomic": 0.11298490671119872,
"volume": 283.2236705898723,
"volume_molar": 5.33004003392526,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -207.46118203,
"energy_per_atom": -6.4831619384375,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:36:43.882000Z",
"spacegroup": 12
},
{
"id": "mp-759213",
"created_at": "2022-09-04T14:41:20.560938Z",
"structure_string": "Li4 Mn1 V3 O8\n1.0\n5.928226 0.000000 0.000000\n-0.011646 5.940880 0.000000\n-2.957435 -2.945007 4.327707\nLi Mn V O\n4 1 3 8\ndirect\n0.499978 0.990224 0.486445 Li\n0.000741 0.992106 0.487616 Li\n0.500607 0.493720 0.992687 Li\n0.998728 0.492688 0.989741 Li\n0.000956 0.997460 0.994113 Mn\n0.501208 0.997539 0.994544 V\n0.001466 0.497079 0.495222 V\n0.501171 0.496873 0.495259 V\n0.254120 0.239724 0.016173 O\n0.769833 0.239079 0.015763 O\n0.745083 0.724360 0.481435 O\n0.263813 0.747751 0.518903 O\n0.738898 0.246267 0.471140 O\n0.256936 0.269269 0.507828 O\n0.233287 0.756206 0.975051 O\n0.749042 0.755492 0.974616 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"Mn",
"V",
"O"
],
"chemical_system": "Li-Mn-O-V",
"density": 3.960464365534066,
"density_atomic": 0.10497517343267573,
"volume": 152.41699038736394,
"volume_molar": 5.736728564551704,
"formula_full": "Li4 Mn1 V3 O8",
"formula_reduced": "Li4MnV3O8",
"formula_anonymous": "AB3C4D8",
"energy": -121.92405327,
"energy_per_atom": -7.620253329375,
"energy_above_hull": null,
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"energy_uncorrected": -109.66005327,
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"updated_at": "2021-11-28T01:35:30.550000Z",
"spacegroup": 8
},
{
"id": "mp-1274098",
"created_at": "2022-09-04T14:42:49.948351Z",
"structure_string": "V6 O10\n1.0\n0.000513 5.178214 0.000011\n3.392199 2.589430 -3.802603\n-6.689368 -0.000652 -2.405233\nV O\n6 10\ndirect\n0.501055 0.498388 0.499250 V\n0.129681 0.241090 0.777477 V\n0.129454 0.239222 0.281566 V\n0.499510 0.501577 0.000753 V\n0.868805 0.760735 0.218447 V\n0.870797 0.758917 0.722490 V\n0.702260 0.499984 0.749989 O\n0.300764 0.500042 0.250005 O\n0.145811 0.889872 0.669201 O\n0.465181 0.869534 0.157501 O\n0.834699 0.130412 0.342505 O\n0.535667 0.110228 0.830818 O\n0.073302 0.662359 0.933920 O\n0.772111 0.663021 0.453901 O\n0.935215 0.337011 0.046153 O\n0.235688 0.337609 0.566025 O\n",
"nsites": 16,
"nelements": 2,
"elements": [
"V",
"O"
],
"chemical_system": "O-V",
"density": 4.444691250883221,
"density_atomic": 0.09197279927088924,
"volume": 173.96447783300468,
"volume_molar": 6.547741079689088,
"formula_full": "V6 O10",
"formula_reduced": "V3O5",
"formula_anonymous": "A3B5",
"energy": -143.97106471,
"energy_per_atom": -8.998191544375,
"energy_above_hull": null,
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"energy_uncorrected": -126.90106471,
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"updated_at": "2021-11-28T01:35:51.490000Z",
"spacegroup": 5
},
{
"id": "mp-766128",
"created_at": "2022-09-04T14:45:54.266849Z",
"structure_string": "Li2 Mn4 P4 O20\n1.0\n6.697998 0.000000 0.000000\n-3.132530 -6.230483 0.000000\n-0.142883 0.048930 -7.971232\nLi Mn P O\n2 4 4 20\ndirect\n0.220637 0.272426 0.070522 Li\n0.703217 0.200101 0.569218 Li\n0.245569 0.995814 0.752606 Mn\n0.248923 0.498239 0.746790 Mn\n0.755344 0.503542 0.249331 Mn\n0.751451 0.000469 0.249061 Mn\n0.240540 0.754152 0.084254 P\n0.261875 0.244140 0.418851 P\n0.740483 0.754653 0.583909 P\n0.759904 0.246279 0.918116 P\n0.146670 0.877320 0.970750 O\n0.073054 0.638653 0.224114 O\n0.230113 0.741713 0.670075 O\n0.283934 0.585915 0.984284 O\n0.191451 0.390682 0.520228 O\n0.060741 0.084585 0.310971 O\n0.452923 0.922784 0.173682 O\n0.265279 0.255083 0.829911 O\n0.654188 0.887506 0.472247 O\n0.429983 0.369521 0.279118 O\n0.566098 0.632286 0.717714 O\n0.363144 0.128826 0.532753 O\n0.733668 0.744753 0.169553 O\n0.555186 0.080172 0.816744 O\n0.947319 0.920268 0.681121 O\n0.794576 0.596958 0.481485 O\n0.699578 0.399724 0.019278 O\n0.767849 0.257314 0.329104 O\n0.922959 0.361277 0.773062 O\n0.867245 0.135447 0.032049 O\n",
"nsites": 30,
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"elements": [
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"Mn",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P",
"density": 3.3820284938593876,
"density_atomic": 0.0901839133073253,
"volume": 332.65356203569416,
"volume_molar": 6.677621916314474,
"formula_full": "Li2 Mn4 P4 O20",
"formula_reduced": "LiMn2(PO5)2",
"formula_anonymous": "AB2C2D10",
"energy": -226.69098404,
"energy_per_atom": -7.556366134666666,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:15.207000Z",
"spacegroup": 1
},
{
"id": "mp-777381",
"created_at": "2022-09-04T14:39:43.496453Z",
"structure_string": "Li4 Mn2 Co4 O12\n1.0\n-5.731971 0.000000 0.000000\n-0.130607 -5.953584 0.000000\n1.377906 1.580483 6.384808\nLi Mn Co O\n4 2 4 12\ndirect\n0.815757 0.843903 0.850845 Li\n0.500000 0.500000 0.500000 Li\n0.000000 0.500000 0.500000 Li\n0.184243 0.156097 0.149155 Li\n0.500000 0.000000 0.500000 Mn\n0.000000 0.000000 0.500000 Mn\n0.831358 0.330058 0.834985 Co\n0.331062 0.341335 0.842376 Co\n0.668938 0.658665 0.157624 Co\n0.168642 0.669942 0.165015 Co\n0.578738 0.108254 0.803627 O\n0.061127 0.097311 0.809124 O\n0.752707 0.777546 0.499699 O\n0.254352 0.783286 0.503953 O\n0.745648 0.216714 0.496047 O\n0.402586 0.438477 0.157170 O\n0.247293 0.222454 0.500301 O\n0.421262 0.891746 0.196373 O\n0.928943 0.454994 0.172743 O\n0.938873 0.902689 0.190876 O\n0.597414 0.561523 0.842830 O\n0.071057 0.545006 0.827257 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
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"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.3087194713673655,
"density_atomic": 0.10097000292565851,
"volume": 217.88649462749848,
"volume_molar": 5.964287001589907,
"formula_full": "Li4 Mn2 Co4 O12",
"formula_reduced": "Li2Mn(CoO3)2",
"formula_anonymous": "AB2C2D6",
"energy": -150.91558219,
"energy_per_atom": -6.859799190454546,
"energy_above_hull": null,
"is_stable": null,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:36.742000Z",
"spacegroup": 2
},
{
"id": "mp-1174811",
"created_at": "2022-09-04T14:47:26.708701Z",
"structure_string": "Li6 Mn3 Co1 O10\n1.0\n7.147647 2.600040 0.000000\n-7.147647 2.600040 0.000000\n0.000000 1.953198 4.810405\nLi Mn Co O\n6 3 1 10\ndirect\n0.901815 0.098185 0.500000 Li\n0.301031 0.698969 0.500000 Li\n0.701444 0.298556 0.500000 Li\n0.099431 0.900569 0.500000 Li\n0.496355 0.503645 0.500000 Li\n0.399168 0.600832 0.000000 Li\n0.999973 0.000027 0.000000 Mn\n0.800151 0.199849 0.000000 Mn\n0.598986 0.401014 0.000000 Mn\n0.201721 0.798279 0.000000 Co\n0.680760 0.880524 0.235084 O\n0.039808 0.453131 0.211338 O\n0.476650 0.071027 0.234051 O\n0.875335 0.677011 0.231481 O\n0.245325 0.236261 0.215543 O\n0.119476 0.319240 0.764916 O\n0.546869 0.960192 0.788662 O\n0.928973 0.523350 0.765949 O\n0.322989 0.124665 0.768519 O\n0.763739 0.754675 0.784457 O\n",
"nsites": 20,
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"elements": [
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"Mn",
"Co",
"O"
],
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"density": 3.9507439592058113,
"density_atomic": 0.11186010752731672,
"volume": 178.79475035473138,
"volume_molar": 5.383635768926261,
"formula_full": "Li6 Mn3 Co1 O10",
"formula_reduced": "Li6Mn3CoO10",
"formula_anonymous": "AB3C6D10",
"energy": -136.44602191,
"energy_per_atom": -6.8223010955,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:38:09.528000Z",
"spacegroup": 5
},
{
"id": "mp-1174873",
"created_at": "2022-09-04T14:41:18.443414Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n1.452162 14.790496 0.000000\n-1.452162 14.790496 0.000000\n0.000000 0.670245 5.873774\nLi Mn Co O\n8 2 4 14\ndirect\n0.571380 0.571380 0.209050 Li\n0.710631 0.710631 0.641082 Li\n0.859238 0.859238 0.069050 Li\n0.135529 0.135529 0.925239 Li\n0.284773 0.284773 0.359512 Li\n0.431201 0.431201 0.783388 Li\n0.005859 0.005859 0.502598 Li\n0.571286 0.571286 0.720060 Li\n0.002961 0.002961 0.994637 Mn\n0.285845 0.285845 0.856808 Mn\n0.134750 0.134750 0.446929 Co\n0.428746 0.428746 0.287841 Co\n0.709330 0.709330 0.153211 Co\n0.859686 0.859686 0.564778 Co\n0.498764 0.498764 0.224588 O\n0.642605 0.642605 0.663445 O\n0.785677 0.785677 0.078439 O\n0.064985 0.064985 0.968518 O\n0.215229 0.215229 0.373646 O\n0.353283 0.353283 0.809826 O\n0.929578 0.929578 0.523819 O\n0.645747 0.645747 0.186325 O\n0.786522 0.786522 0.635554 O\n0.932501 0.932501 0.050733 O\n0.220676 0.220676 0.904009 O\n0.358789 0.358789 0.329740 O\n0.500097 0.500097 0.779447 O\n0.074330 0.074330 0.457727 O\n",
"nsites": 28,
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"elements": [
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"O"
],
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"density": 4.114085766389257,
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"volume": 252.31614142792523,
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"formula_full": "Li8 Mn2 Co4 O14",
"formula_reduced": "Li4MnCo2O7",
"formula_anonymous": "AB2C4D7",
"energy": -182.379415,
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"updated_at": "2021-11-28T01:35:13.849000Z",
"spacegroup": 8
},
{
"id": "mp-759777",
"created_at": "2022-09-04T14:45:26.342232Z",
"structure_string": "Mn2 Co4 O12\n1.0\n2.475216 -4.295262 0.000000\n2.475216 4.295262 0.000000\n0.000000 0.000000 9.628441\nMn Co O\n2 4 12\ndirect\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.833313 0.166687 0.500000 Co\n0.333313 0.666687 0.000000 Co\n0.666687 0.333313 0.000000 Co\n0.166687 0.833313 0.500000 Co\n0.661134 0.661134 0.098827 O\n0.838866 0.838866 0.598827 O\n0.161134 0.161134 0.401173 O\n0.499973 0.838469 0.401204 O\n0.338866 0.338866 0.901173 O\n0.661531 0.000027 0.901204 O\n0.999973 0.338469 0.098796 O\n0.161531 0.500027 0.598796 O\n0.500027 0.161531 0.598796 O\n0.838469 0.499973 0.401204 O\n0.000027 0.661531 0.901204 O\n0.338469 0.999973 0.098796 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
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"Co",
"O"
],
"chemical_system": "Co-Mn-O",
"density": 4.360346214282641,
"density_atomic": 0.08791920905467367,
"volume": 204.7334159797374,
"volume_molar": 6.849630273920067,
"formula_full": "Mn2 Co4 O12",
"formula_reduced": "Mn(CoO3)2",
"formula_anonymous": "AB2C6",
"energy": -129.53255779,
"energy_per_atom": -7.196253210555556,
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"energy_uncorrected": -111.40055779,
"band_gap": 0.0,
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"is_magnetic": true,
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"updated_at": "2021-11-28T01:37:00.905000Z",
"spacegroup": 64
},
{
"id": "mp-704988",
"created_at": "2022-09-04T14:43:13.968858Z",
"structure_string": "Ni4 P10 O30\n1.0\n8.636506 0.000000 0.000000\n0.000000 5.340956 0.000000\n0.000000 4.468253 12.765245\nNi P O\n4 10 30\ndirect\n0.280701 0.891737 0.454289 Ni\n0.719299 0.108263 0.545711 Ni\n0.280701 0.108263 0.045711 Ni\n0.719299 0.891737 0.954289 Ni\n0.177982 0.298486 0.590308 P\n0.512431 0.540334 0.360179 P\n0.487569 0.540334 0.860179 P\n0.056351 0.000000 0.250000 P\n0.822018 0.298486 0.090308 P\n0.177982 0.701514 0.909692 P\n0.487569 0.459666 0.639821 P\n0.512431 0.459666 0.139821 P\n0.943649 0.000000 0.750000 P\n0.822018 0.701514 0.409692 P\n0.342323 0.273209 0.649413 O\n0.145003 0.909538 0.172164 O\n0.174908 0.091930 0.538377 O\n0.368144 0.307148 0.135446 O\n0.488926 0.500000 0.750000 O\n0.342323 0.726791 0.850587 O\n0.368144 0.692852 0.364554 O\n0.854117 0.581245 0.026007 O\n0.145003 0.090462 0.327836 O\n0.631856 0.692852 0.864554 O\n0.825092 0.091930 0.038377 O\n0.058749 0.763439 0.811816 O\n0.657677 0.726791 0.350587 O\n0.631856 0.307148 0.635446 O\n0.854997 0.090462 0.827836 O\n0.058749 0.236561 0.688184 O\n0.145883 0.581245 0.526007 O\n0.174908 0.908070 0.961623 O\n0.511074 0.500000 0.250000 O\n0.533454 0.732214 0.058006 O\n0.825092 0.908070 0.461623 O\n0.533454 0.267786 0.441994 O\n0.854117 0.418755 0.473993 O\n0.466546 0.267786 0.941994 O\n0.466546 0.732214 0.558006 O\n0.145883 0.418755 0.973993 O\n0.941251 0.763439 0.311816 O\n0.657677 0.273209 0.149413 O\n0.854997 0.909538 0.672164 O\n0.941251 0.236561 0.188184 O\n",
"nsites": 44,
"nelements": 3,
"elements": [
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"P",
"O"
],
"chemical_system": "Ni-O-P",
"density": 2.889162387222594,
"density_atomic": 0.07472508930181608,
"volume": 588.8249905233723,
"volume_molar": 8.059061308948667,
"formula_full": "Ni4 P10 O30",
"formula_reduced": "Ni2(PO3)5",
"formula_anonymous": "A2B5C15",
"energy": -325.52874808,
"energy_per_atom": -7.398380638181819,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -294.75474808,
"band_gap": 4.1198,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.9999941,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:08.422000Z",
"spacegroup": 13
},
{
"id": "mp-1176298",
"created_at": "2022-09-04T14:40:40.126674Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n2.943337 0.000000 0.000000\n-0.248051 10.045578 0.000000\n-0.157283 -3.114378 9.671451\nLi Mn Co O\n9 2 5 16\ndirect\n0.996358 0.258597 0.251768 Li\n0.493504 0.503820 0.755246 Li\n0.994517 0.744390 0.250699 Li\n0.501833 0.499303 0.247514 Li\n0.003791 0.743676 0.742659 Li\n0.505763 0.993211 0.260170 Li\n0.500757 0.007050 0.738712 Li\n0.013598 0.246156 0.746369 Li\n0.987476 0.005207 0.510508 Li\n0.985034 0.999655 0.003302 Mn\n0.512889 0.244740 0.499701 Mn\n0.014614 0.492838 0.997820 Co\n0.489294 0.759521 0.499236 Co\n0.012237 0.500377 0.495916 Co\n0.504999 0.747903 0.002202 Co\n0.491717 0.254725 0.996467 Co\n0.499078 0.107085 0.112314 O\n0.024745 0.368736 0.602448 O\n0.516932 0.625741 0.111867 O\n0.997000 0.379449 0.120571 O\n0.472300 0.624970 0.608172 O\n0.965509 0.874340 0.117508 O\n0.950764 0.862928 0.617522 O\n0.502900 0.137968 0.617263 O\n0.542304 0.376916 0.385500 O\n0.038360 0.632542 0.884887 O\n0.492173 0.859278 0.385601 O\n0.025949 0.627149 0.389785 O\n0.474800 0.883435 0.897900 O\n0.000708 0.140354 0.388872 O\n0.989713 0.115059 0.885779 O\n0.498385 0.382883 0.875725 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.198379752780798,
"density_atomic": 0.11190343618534077,
"volume": 285.96083454488206,
"volume_molar": 5.381551242113595,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -208.19026228,
"energy_per_atom": -6.50594569625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -185.67226228,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 9.9999943,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:02.665000Z",
"spacegroup": 1
}
]
}