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{
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"results": [
{
"id": "mp-1219269",
"created_at": "2022-09-04T14:43:05.887458Z",
"structure_string": "Si1 Ni6 Se2\n1.0\n3.578773 0.000000 0.000000\n0.000000 3.578773 0.000000\n1.789386 1.789386 9.169546\nSi Ni Se\n1 6 2\ndirect\n0.000069 0.000069 0.999862 Si\n0.498911 0.498911 0.002178 Ni\n0.906251 0.406251 0.187498 Ni\n0.406251 0.906251 0.187498 Ni\n0.090965 0.590965 0.818071 Ni\n0.590965 0.090965 0.818071 Ni\n0.198811 0.198811 0.602377 Ni\n0.324463 0.324463 0.351074 Se\n0.681714 0.681714 0.636571 Se\n",
"nsites": 9,
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"elements": [
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"density": 7.609377598921559,
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{
"id": "mp-1184215",
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"structure_string": "Fe1 As1 O3\n1.0\n3.799462 0.000000 0.000000\n0.000000 3.799462 0.000000\n0.000000 0.000000 3.799462\nFe As O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 As\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
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"elements": [
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"spacegroup": 221
},
{
"id": "mp-10040",
"created_at": "2022-09-04T14:43:01.586452Z",
"structure_string": "Al1 Pt3 C1\n1.0\n4.185150 0.000000 0.000000\n0.000000 4.185150 0.000000\n0.000000 0.000000 4.185150\nAl Pt C\n1 3 1\ndirect\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 Pt\n0.500000 0.000000 0.500000 Pt\n0.500000 0.500000 0.000000 Pt\n0.500000 0.500000 0.500000 C\n",
"nsites": 5,
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"elements": [
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"Pt",
"C"
],
"chemical_system": "Al-C-Pt",
"density": 14.140688509233518,
"density_atomic": 0.06820825200271806,
"volume": 73.3049133087409,
"volume_molar": 8.829050126896702,
"formula_full": "Al1 Pt3 C1",
"formula_reduced": "AlPt3C",
"formula_anonymous": "ABC3",
"energy": -30.12851618,
"energy_per_atom": -6.025703236,
"energy_above_hull": null,
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"energy_uncorrected": -30.12851618,
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"updated_at": "2021-11-28T01:36:07.808000Z",
"spacegroup": 221
},
{
"id": "mp-753146",
"created_at": "2022-09-04T14:43:05.866552Z",
"structure_string": "Li8 Mn6 O12 F2\n1.0\n0.000020 0.000023 4.448432\n-8.200067 -2.106713 2.224167\n4.060325 -6.162435 -2.224238\nLi Mn O F\n8 6 12 2\ndirect\n0.570062 0.148015 0.288184 Li\n0.070124 0.647966 0.788185 Li\n0.858491 0.709144 0.426101 Li\n0.358515 0.209176 0.926102 Li\n0.144648 0.279000 0.568345 Li\n0.644626 0.778983 0.068377 Li\n0.783824 0.078148 0.645851 Li\n0.283893 0.578150 0.145892 Li\n0.714439 0.428590 0.857111 Mn\n0.001396 0.996139 0.999021 Mn\n0.427150 0.861022 0.715262 Mn\n0.214221 0.928548 0.357130 Mn\n0.501394 0.496206 0.499108 Mn\n0.927113 0.360931 0.215155 Mn\n0.645237 0.298399 0.588739 O\n0.145222 0.798331 0.088790 O\n0.283358 0.058833 0.625511 O\n0.783477 0.558752 0.125532 O\n0.070181 0.129788 0.270253 O\n0.570207 0.629840 0.770268 O\n0.358340 0.727344 0.444063 O\n0.858405 0.227289 0.944044 O\n0.493958 0.991790 0.979828 O\n0.993958 0.491742 0.479791 O\n0.934505 0.865342 0.734460 O\n0.434487 0.365421 0.234508 O\n0.714323 0.928558 0.357197 F\n0.214443 0.428552 0.857195 F\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 3.886270832459176,
"density_atomic": 0.10652802610478518,
"volume": 262.8416297928781,
"volume_molar": 5.653104615001863,
"formula_full": "Li8 Mn6 O12 F2",
"formula_reduced": "Li4Mn3O6F",
"formula_anonymous": "AB3C4D6",
"energy": -196.7111523,
"energy_per_atom": -7.0253982964285715,
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"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 1.5e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:57.320000Z",
"spacegroup": 12
},
{
"id": "mp-1252369",
"created_at": "2022-09-04T14:43:01.459000Z",
"structure_string": "Si3 Os1\n1.0\n-2.133580 2.133580 3.002915\n2.133580 -2.133580 3.002915\n2.133580 2.133580 -3.002915\nSi Os\n3 1\ndirect\n0.750000 0.249999 0.500001 Si\n0.249999 0.750000 0.500001 Si\n0.500001 0.500001 0.000000 Si\n0.000000 0.000000 0.000000 Os\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Si",
"Os"
],
"chemical_system": "Os-Si",
"density": 8.335836601413888,
"density_atomic": 0.0731541717110639,
"volume": 54.679041624567205,
"volume_molar": 8.232122132126069,
"formula_full": "Si3 Os1",
"formula_reduced": "Si3Os",
"formula_anonymous": "AB3",
"energy": -26.22831265,
"energy_per_atom": -6.5570781625,
"energy_above_hull": null,
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"energy_uncorrected": -26.44131265,
"band_gap": 0.0,
"is_gap_direct": false,
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"total_magnetization": 1.41e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:05.962000Z",
"spacegroup": 225
},
{
"id": "mp-1221821",
"created_at": "2022-09-04T14:43:05.878591Z",
"structure_string": "Mn2 Ni1 Sn1\n1.0\n0.000000 3.023632 3.023632\n3.023632 0.000000 3.023632\n3.023632 3.023632 0.000000\nMn Ni Sn\n2 1 1\ndirect\n0.500000 0.500000 0.500000 Mn\n0.750000 0.750000 0.750000 Mn\n0.250000 0.250000 0.250000 Ni\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"Ni",
"Sn"
],
"chemical_system": "Mn-Ni-Sn",
"density": 8.62853219796349,
"density_atomic": 0.0723507765434774,
"volume": 55.28620688122539,
"volume_molar": 8.323532998130498,
"formula_full": "Mn2 Ni1 Sn1",
"formula_reduced": "Mn2NiSn",
"formula_anonymous": "ABC2",
"energy": -27.84528374,
"energy_per_atom": -6.961320935,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -27.84528374,
"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:00.026000Z",
"spacegroup": 216
},
{
"id": "mp-1008912",
"created_at": "2022-09-04T14:43:05.884850Z",
"structure_string": "Ag1 C1\n1.0\n0.000000 2.473600 2.473600\n2.473600 0.000000 2.473600\n2.473600 2.473600 0.000000\nAg C\n1 1\ndirect\n0.000000 0.000000 0.000000 Ag\n0.250000 0.250000 0.250000 C\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ag",
"C"
],
"chemical_system": "Ag-C",
"density": 6.576176098332642,
"density_atomic": 0.06607110699279457,
"volume": 30.270417600511994,
"volume_molar": 9.114635782713234,
"formula_full": "Ag1 C1",
"formula_reduced": "AgC",
"formula_anonymous": "AB",
"energy": -7.54385674,
"energy_per_atom": -3.77192837,
"energy_above_hull": null,
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"energy_uncorrected": -7.54385674,
"band_gap": 0.0,
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"total_magnetization": 8.82e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:59.588000Z",
"spacegroup": 216
},
{
"id": "mp-669556",
"created_at": "2022-09-04T14:43:05.893335Z",
"structure_string": "Pu10 Pt6\n1.0\n4.259989 -7.378518 0.000000\n4.259989 7.378518 0.000000\n0.000000 0.000000 6.022311\nPu Pt\n10 6\ndirect\n0.255258 0.255258 0.750000 Pu\n0.744742 0.000000 0.750000 Pu\n0.000000 0.255258 0.250000 Pu\n0.333333 0.666667 0.000000 Pu\n0.000000 0.744742 0.750000 Pu\n0.666667 0.333333 0.000000 Pu\n0.255258 0.000000 0.250000 Pu\n0.744742 0.744742 0.250000 Pu\n0.333333 0.666667 0.500000 Pu\n0.666667 0.333333 0.500000 Pu\n0.000000 0.391381 0.750000 Pt\n0.391381 0.000000 0.750000 Pt\n0.000000 0.608619 0.250000 Pt\n0.608619 0.608619 0.750000 Pt\n0.391381 0.391381 0.250000 Pt\n0.608619 0.000000 0.250000 Pt\n",
"nsites": 16,
"nelements": 2,
"elements": [
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"Pt"
],
"chemical_system": "Pt-Pu",
"density": 15.836023378377089,
"density_atomic": 0.04226191662823552,
"volume": 378.5914429945724,
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"formula_full": "Pu10 Pt6",
"formula_reduced": "Pu5Pt3",
"formula_anonymous": "A3B5",
"energy": -188.42926214,
"energy_per_atom": -11.77682888375,
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"updated_at": "2021-11-28T01:35:57.716000Z",
"spacegroup": 193
},
{
"id": "mp-849745",
"created_at": "2022-09-04T14:43:05.894766Z",
"structure_string": "Li12 Mn8 P16 O56\n1.0\n9.829392 0.000000 0.000000\n0.074510 9.840713 0.000000\n2.601117 0.035458 11.080466\nLi Mn P O\n12 8 16 56\ndirect\n0.884638 0.281184 0.447725 Li\n0.819094 0.585777 0.549763 Li\n0.912301 0.891253 0.026724 Li\n0.656704 0.096902 0.958117 Li\n0.587520 0.394129 0.970337 Li\n0.651182 0.067343 0.467734 Li\n0.348818 0.932657 0.532266 Li\n0.412480 0.605871 0.029663 Li\n0.343296 0.903098 0.041883 Li\n0.087699 0.108747 0.973276 Li\n0.180906 0.414223 0.450237 Li\n0.115362 0.718816 0.552275 Li\n0.797737 0.074791 0.671665 Mn\n0.743011 0.782677 0.825251 Mn\n0.758321 0.289309 0.173886 Mn\n0.704666 0.579558 0.322831 Mn\n0.295334 0.420442 0.677169 Mn\n0.241679 0.710691 0.826114 Mn\n0.256989 0.217323 0.174749 Mn\n0.202263 0.925209 0.328335 Mn\n0.975868 0.547914 0.753677 P\n0.881949 0.290157 0.888239 P\n0.938717 0.069046 0.242444 P\n0.878037 0.850334 0.424356 P\n0.619565 0.353171 0.578011 P\n0.561596 0.569584 0.758381 P\n0.476689 0.949826 0.756130 P\n0.618047 0.792463 0.109863 P\n0.381953 0.207537 0.890137 P\n0.523311 0.050174 0.243870 P\n0.438404 0.430416 0.241619 P\n0.380435 0.646829 0.421989 P\n0.121963 0.149666 0.575644 P\n0.061283 0.930954 0.757556 P\n0.118051 0.709843 0.111761 P\n0.024132 0.452086 0.246323 P\n0.977073 0.580141 0.623022 O\n0.969345 0.162100 0.561451 O\n0.914739 0.912857 0.731385 O\n0.894270 0.650356 0.844710 O\n0.901920 0.403751 0.780437 O\n0.815614 0.170389 0.834177 O\n0.770313 0.346954 0.996404 O\n0.979743 0.734858 0.082409 O\n0.883328 0.921828 0.295227 O\n0.935052 0.064758 0.110633 O\n0.870617 0.463483 0.226209 O\n0.820127 0.708335 0.413228 O\n0.834622 0.177058 0.310114 O\n0.786897 0.942130 0.518590 O\n0.720508 0.436110 0.481116 O\n0.671449 0.674365 0.695684 O\n0.681191 0.209704 0.582959 O\n0.629211 0.959941 0.782791 O\n0.622576 0.422538 0.705776 O\n0.558899 0.564390 0.891218 O\n0.520627 0.225475 0.923580 O\n0.723059 0.860142 0.000320 O\n0.677707 0.670607 0.163268 O\n0.594207 0.902764 0.218612 O\n0.582799 0.412679 0.272641 O\n0.608832 0.144852 0.146827 O\n0.480262 0.920289 0.627011 O\n0.532431 0.649704 0.432557 O\n0.467569 0.350296 0.567443 O\n0.519738 0.079711 0.372989 O\n0.391168 0.855148 0.853173 O\n0.417201 0.587321 0.727359 O\n0.405793 0.097236 0.781388 O\n0.322293 0.329393 0.836732 O\n0.276941 0.139858 0.999680 O\n0.479373 0.774525 0.076420 O\n0.441101 0.435610 0.108782 O\n0.377424 0.577462 0.294224 O\n0.370789 0.040059 0.217209 O\n0.318809 0.790296 0.417041 O\n0.328551 0.325635 0.304316 O\n0.279492 0.563890 0.518884 O\n0.213103 0.057870 0.481410 O\n0.165378 0.822942 0.689886 O\n0.179873 0.291665 0.586772 O\n0.129383 0.536517 0.773791 O\n0.064948 0.935242 0.889367 O\n0.116672 0.078172 0.704773 O\n0.020257 0.265142 0.917591 O\n0.229687 0.653046 0.003596 O\n0.184386 0.829611 0.165823 O\n0.098080 0.596249 0.219563 O\n0.105730 0.349644 0.155290 O\n0.085261 0.087143 0.268615 O\n0.030655 0.837900 0.438549 O\n0.022927 0.419859 0.376978 O\n",
"nsites": 92,
"nelements": 4,
"elements": [
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"Mn",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P",
"density": 2.9659074469128446,
"density_atomic": 0.08583740517777763,
"volume": 1071.793815405522,
"volume_molar": 7.015753502249468,
"formula_full": "Li12 Mn8 P16 O56",
"formula_reduced": "Li3Mn2(P2O7)2",
"formula_anonymous": "A2B3C4D14",
"energy": -698.18224905,
"energy_per_atom": -7.588937489673913,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:36:03.173000Z",
"spacegroup": 2
},
{
"id": "mp-1106223",
"created_at": "2022-09-04T14:43:05.905821Z",
"structure_string": "Nd4 Ge8 Pt4\n1.0\n-2.222424 4.440730 8.314140\n2.222424 -4.440730 8.314140\n2.222424 4.440730 -8.314140\nNd Ge Pt\n4 8 4\ndirect\n0.761690 0.000000 0.761690 Nd\n0.238310 0.000000 0.238310 Nd\n0.204267 0.204267 0.000000 Nd\n0.795733 0.795733 0.000000 Nd\n0.425088 0.425088 0.000000 Ge\n0.574912 0.574912 0.000000 Ge\n0.925198 0.425198 0.500000 Ge\n0.074802 0.574802 0.500000 Ge\n0.850259 0.198343 0.651916 Ge\n0.149741 0.801657 0.348084 Ge\n0.546427 0.198343 0.348084 Ge\n0.453573 0.801657 0.651916 Ge\n0.103130 0.351022 0.752109 Pt\n0.896870 0.648978 0.247891 Pt\n0.598913 0.351022 0.247891 Pt\n0.401087 0.648978 0.752109 Pt\n",
"nsites": 16,
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"elements": [
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],
"chemical_system": "Ge-Nd-Pt",
"density": 9.807069753652513,
"density_atomic": 0.04874851282901465,
"volume": 328.21514075967775,
"volume_molar": 12.353486107612456,
"formula_full": "Nd4 Ge8 Pt4",
"formula_reduced": "NdGe2Pt",
"formula_anonymous": "ABC2",
"energy": -94.72433289,
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"updated_at": "2021-11-28T01:35:54.855000Z",
"spacegroup": 71
},
{
"id": "mp-12434",
"created_at": "2022-09-04T14:43:05.907362Z",
"structure_string": "Ho4 In2 Ge4\n1.0\n7.402572 0.000000 0.000000\n0.000000 7.402572 0.000000\n0.000000 0.000000 4.169978\nHo In Ge\n4 2 4\ndirect\n0.322481 0.822481 0.500000 Ho\n0.822481 0.677519 0.500000 Ho\n0.177519 0.322481 0.500000 Ho\n0.677519 0.177519 0.500000 Ho\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.000000 In\n0.122354 0.622354 0.000000 Ge\n0.622354 0.877646 0.000000 Ge\n0.377646 0.122354 0.000000 Ge\n0.877646 0.377646 0.000000 Ge\n",
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"elements": [
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"In",
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"density": 8.574358048301942,
"density_atomic": 0.043762382318324446,
"volume": 228.50675557972858,
"volume_molar": 13.760998467120409,
"formula_full": "Ho4 In2 Ge4",
"formula_reduced": "Ho2InGe2",
"formula_anonymous": "AB2C2",
"energy": -49.22531425,
"energy_per_atom": -4.922531425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -49.22531425,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.9e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:55.005000Z",
"spacegroup": 127
},
{
"id": "mp-1094399",
"created_at": "2022-09-04T14:43:06.448387Z",
"structure_string": "Mg3 Ti3\n1.0\n2.693043 -4.497683 0.000000\n2.693043 4.497683 0.000000\n0.000000 0.000000 4.878964\nMg Ti\n3 3\ndirect\n0.995080 0.332302 0.000000 Mg\n0.332302 0.995080 0.000000 Mg\n0.338874 0.338874 0.500000 Mg\n0.673934 0.673934 0.000000 Ti\n0.987383 0.672428 0.500000 Ti\n0.672428 0.987383 0.500000 Ti\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Ti"
],
"chemical_system": "Mg-Ti",
"density": 3.0419309575085305,
"density_atomic": 0.050764663344922085,
"volume": 118.1924512969349,
"volume_molar": 11.862859641326443,
"formula_full": "Mg3 Ti3",
"formula_reduced": "MgTi",
"formula_anonymous": "AB",
"energy": -26.971265110000004,
"energy_per_atom": -4.495210851666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.971265110000004,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9957746,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:12.412000Z",
"spacegroup": 38
}
]
}