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"results": [
{
"id": "mp-532110",
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"structure_string": "Ti10 Fe14 O36\n1.0\n5.594008 0.000000 0.000000\n0.883854 9.145310 0.000000\n0.635038 0.390432 12.745856\nTi Fe O\n10 14 36\ndirect\n0.706115 0.241723 0.115747 Ti\n0.289073 0.762512 0.384500 Ti\n0.702472 0.568514 0.291571 Ti\n0.793053 0.932481 0.715134 Ti\n0.220216 0.067336 0.281727 Ti\n0.209275 0.734763 0.618887 Ti\n0.295656 0.427972 0.715115 Ti\n0.707039 0.235580 0.615134 Ti\n0.202921 0.410442 0.948192 Ti\n0.702182 0.899686 0.950827 Ti\n0.286566 0.094258 0.049612 Fe\n0.795136 0.600177 0.047593 Fe\n0.213357 0.736071 0.117719 Fe\n0.290146 0.429781 0.214508 Fe\n0.712560 0.909202 0.452352 Fe\n0.791440 0.595023 0.551525 Fe\n0.799784 0.925412 0.213721 Fe\n0.795407 0.266492 0.381596 Fe\n0.209686 0.070410 0.787164 Fe\n0.206304 0.402297 0.450273 Fe\n0.287269 0.096672 0.548608 Fe\n0.712720 0.572955 0.784972 Fe\n0.785406 0.260218 0.882566 Fe\n0.290084 0.764814 0.881590 Fe\n0.670040 0.440542 0.144066 O\n0.987300 0.227645 0.029027 O\n0.978452 0.444773 0.316758 O\n0.156407 0.513624 0.075587 O\n0.155195 0.628821 0.475397 O\n0.143268 0.956155 0.152414 O\n0.357389 0.201420 0.188354 O\n0.352544 0.659271 0.259464 O\n0.513968 0.403455 0.346590 O\n0.514347 0.732739 0.012006 O\n0.497448 0.942187 0.310476 O\n0.650308 0.684457 0.410236 O\n0.658065 0.010785 0.080206 O\n0.649264 0.126633 0.480242 O\n0.827692 0.710241 0.191547 O\n0.851083 0.818901 0.593206 O\n0.838431 0.156446 0.243380 O\n0.021183 0.896494 0.345812 O\n0.983125 0.107506 0.651293 O\n0.156042 0.844378 0.740818 O\n0.147023 0.175390 0.401959 O\n0.164356 0.295400 0.814408 O\n0.340186 0.869310 0.519270 O\n0.354574 0.988303 0.922618 O\n0.346089 0.319938 0.591975 O\n0.523933 0.058419 0.682950 O\n0.476936 0.606519 0.651489 O\n0.472487 0.271165 0.992620 O\n0.649755 0.347475 0.738837 O\n0.666138 0.795327 0.809874 O\n0.839124 0.039570 0.856379 O\n0.842901 0.371913 0.524040 O\n0.860154 0.478886 0.921577 O\n0.027642 0.559960 0.681981 O\n0.976433 0.774879 0.985402 O\n0.346851 0.536282 0.857113 O\n",
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{
"id": "mp-1211032",
"created_at": "2022-09-04T14:43:08.937704Z",
"structure_string": "Mg1 U2 Si2 H4 O12\n1.0\n1.173336 0.000000 -6.529620\n0.000000 -6.815532 0.000000\n-8.245733 3.407766 3.723903\nMg U Si H O\n1 2 2 4 12\ndirect\n0.000000 0.000000 0.000000 Mg\n0.371994 0.761019 0.522038 U\n0.628006 0.238981 0.477962 U\n0.917359 0.811403 0.622806 Si\n0.082641 0.188597 0.377194 Si\n0.608867 0.514290 0.799467 H\n0.391133 0.485710 0.200533 H\n0.391133 0.714823 0.200533 H\n0.608867 0.285177 0.799467 H\n0.606519 0.889147 0.778293 O\n0.393481 0.110853 0.221707 O\n0.951512 0.243092 0.486185 O\n0.048488 0.756908 0.513815 O\n0.713457 0.587626 0.544423 O\n0.286543 0.412374 0.455577 O\n0.286543 0.043202 0.455577 O\n0.713457 0.956798 0.544423 O\n0.694328 0.397191 0.794382 O\n0.305672 0.602809 0.205618 O\n0.093737 0.917409 0.834817 O\n0.906263 0.082591 0.165183 O\n",
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"volume": 337.178773764537,
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{
"id": "mp-1193227",
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"structure_string": "Co28\n1.0\n8.367035 0.000000 0.000000\n0.000000 8.367035 0.000000\n0.000000 0.000000 4.555476\nCo\n28\ndirect\n0.905962 0.094038 0.500000 Co\n0.094038 0.905962 0.500000 Co\n0.405962 0.405962 0.000000 Co\n0.594038 0.594038 0.000000 Co\n0.973270 0.361966 0.500000 Co\n0.026730 0.638034 0.500000 Co\n0.473270 0.138034 0.000000 Co\n0.526730 0.861966 0.000000 Co\n0.361966 0.973270 0.500000 Co\n0.638034 0.026730 0.500000 Co\n0.138034 0.473270 0.000000 Co\n0.861966 0.526730 0.000000 Co\n0.251739 0.444409 0.500000 Co\n0.748261 0.555591 0.500000 Co\n0.751739 0.055591 0.000000 Co\n0.248261 0.944409 0.000000 Co\n0.444409 0.251739 0.500000 Co\n0.555591 0.748261 0.500000 Co\n0.055591 0.751739 0.000000 Co\n0.944409 0.248261 0.000000 Co\n0.686348 0.313652 0.249566 Co\n0.313652 0.686348 0.249566 Co\n0.186348 0.186348 0.749566 Co\n0.813652 0.813652 0.749566 Co\n0.313652 0.686348 0.750434 Co\n0.686348 0.313652 0.750434 Co\n0.813652 0.813652 0.250434 Co\n0.186348 0.186348 0.250434 Co\n",
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"density": 8.591919137745206,
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{
"id": "mp-505267",
"created_at": "2022-09-04T14:43:08.980612Z",
"structure_string": "Np4 Si8 Tc6\n1.0\n8.050952 0.000000 0.000000\n0.000000 5.662255 0.000000\n0.000000 1.655843 6.558135\nNp Si Tc\n4 8 6\ndirect\n0.943618 0.573398 0.254597 Np\n0.443618 0.926602 0.745403 Np\n0.056382 0.426602 0.745403 Np\n0.556382 0.073398 0.254597 Np\n0.596198 0.616012 0.127369 Si\n0.096198 0.883988 0.872631 Si\n0.403802 0.383988 0.872631 Si\n0.903802 0.116012 0.127369 Si\n0.751260 0.724400 0.578611 Si\n0.251260 0.775600 0.421389 Si\n0.248740 0.275600 0.421389 Si\n0.748740 0.224400 0.578611 Si\n0.292950 0.616000 0.111603 Tc\n0.792950 0.884000 0.888397 Tc\n0.707050 0.384000 0.888397 Tc\n0.207050 0.116000 0.111603 Tc\n0.500000 0.500000 0.500000 Tc\n0.000000 0.000000 0.500000 Tc\n",
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"density": 9.779429075812676,
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"formula_full": "Np4 Si8 Tc6",
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{
"id": "mp-1029145",
"created_at": "2022-09-04T14:43:09.016179Z",
"structure_string": "Te4 Mo1 W3 Se2 S2\n1.0\n1.701033 -2.946276 0.000000\n1.701033 2.946276 0.000000\n0.000000 0.000000 40.097652\nTe Mo W Se S\n4 1 3 2 2\ndirect\n0.000000 0.000000 0.327761 Te\n0.333333 0.666667 0.423903 Te\n0.333333 0.666667 0.517745 Te\n0.000000 0.000000 0.233883 Te\n0.000000 0.000000 0.093685 Mo\n0.000000 0.000000 0.470814 W\n0.333333 0.666667 0.280864 W\n0.333333 0.666667 0.657581 W\n0.333333 0.666667 0.052600 Se\n0.333333 0.666667 0.134698 Se\n0.000000 0.000000 0.695137 S\n0.000000 0.000000 0.620077 S\n",
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{
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"structure_string": "Ti3 Sn7 O20\n1.0\n3.375035 -3.377475 0.000000\n3.375035 3.377475 0.000000\n0.000000 0.000000 15.866413\nTi Sn O\n3 7 20\ndirect\n0.000000 0.000000 0.799928 Ti\n0.000000 0.000000 0.200072 Ti\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.400380 Sn\n0.000000 0.000000 0.599620 Sn\n0.000000 0.000000 0.000000 Sn\n0.500000 0.500000 0.897696 Sn\n0.500000 0.500000 0.699886 Sn\n0.500000 0.500000 0.300114 Sn\n0.500000 0.500000 0.102304 Sn\n0.189822 0.810178 0.895374 O\n0.202953 0.797047 0.500000 O\n0.190008 0.809992 0.704003 O\n0.189822 0.810178 0.104626 O\n0.190008 0.809992 0.295997 O\n0.310039 0.310039 0.404221 O\n0.310039 0.310039 0.595779 O\n0.296875 0.296875 0.200695 O\n0.296875 0.296875 0.799305 O\n0.306137 0.306137 0.000000 O\n0.689961 0.689961 0.404221 O\n0.689961 0.689961 0.595779 O\n0.703125 0.703125 0.799305 O\n0.693863 0.693863 0.000000 O\n0.703125 0.703125 0.200695 O\n0.797047 0.202953 0.500000 O\n0.810178 0.189822 0.895374 O\n0.809992 0.190008 0.704003 O\n0.809992 0.190008 0.295997 O\n0.810178 0.189822 0.104626 O\n",
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{
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"structure_string": "W2 Se2 S2\n1.0\n1.627359 -2.818669 0.000000\n1.627359 2.818669 0.000000\n0.000000 0.000000 23.022902\nW Se S\n2 2 2\ndirect\n0.000000 0.000000 0.150434 W\n0.333333 0.666667 0.451445 W\n0.000000 0.000000 0.525583 Se\n0.000000 0.000000 0.377289 Se\n0.333333 0.666667 0.083135 S\n0.333333 0.666667 0.217718 S\n",
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{
"id": "mp-1201675",
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"structure_string": "Sr8 Mn8 Se4 O16\n1.0\n6.354416 0.000000 0.000000\n0.000000 9.665416 0.000000\n0.000000 0.000000 10.448618\nSr Mn Se O\n8 8 4 16\ndirect\n0.234834 0.871503 0.451588 Sr\n0.265166 0.371503 0.048412 Sr\n0.765166 0.128497 0.951588 Sr\n0.734834 0.628497 0.548412 Sr\n0.765166 0.128497 0.548412 Sr\n0.734834 0.628497 0.951588 Sr\n0.234834 0.871503 0.048412 Sr\n0.265166 0.371503 0.451588 Sr\n0.725004 0.879941 0.250000 Mn\n0.774996 0.379941 0.250000 Mn\n0.274996 0.120059 0.750000 Mn\n0.225004 0.620059 0.750000 Mn\n0.532003 0.620597 0.250000 Mn\n0.967997 0.120597 0.250000 Mn\n0.467997 0.379403 0.750000 Mn\n0.032003 0.879403 0.750000 Mn\n0.409253 0.114836 0.250000 Se\n0.090747 0.614836 0.250000 Se\n0.590747 0.885164 0.750000 Se\n0.909253 0.385164 0.750000 Se\n0.602036 0.475603 0.373074 O\n0.897964 0.975603 0.126926 O\n0.397964 0.524397 0.873074 O\n0.102036 0.024397 0.626926 O\n0.397964 0.524397 0.626926 O\n0.102036 0.024397 0.873074 O\n0.602036 0.475603 0.126926 O\n0.897964 0.975603 0.373074 O\n0.574635 0.768806 0.375296 O\n0.925365 0.268806 0.124704 O\n0.425365 0.231194 0.875296 O\n0.074635 0.731194 0.624704 O\n0.425365 0.231194 0.624704 O\n0.074635 0.731194 0.875296 O\n0.574635 0.768806 0.124704 O\n0.925365 0.268806 0.375296 O\n",
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{
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"structure_string": "Sm2 Fe1 Si3\n1.0\n2.008206 -3.478314 0.000000\n2.008206 3.478314 0.000000\n0.000000 0.000000 8.395752\nSm Fe Si\n2 1 3\ndirect\n0.666667 0.333333 0.243311 Sm\n0.666667 0.333333 0.756689 Sm\n0.000000 0.000000 0.000000 Fe\n0.000000 0.000000 0.500000 Si\n0.333333 0.666667 0.000000 Si\n0.333333 0.666667 0.500000 Si\n",
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{
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"structure_string": "Zn3 Te1 As2 Pb3 O14\n1.0\n4.344487 -7.524872 0.000000\n4.344487 7.524872 0.000000\n0.000000 0.000000 5.328159\nZn Te As Pb O\n3 1 2 3 14\ndirect\n0.241321 0.000000 0.500000 Zn\n0.758679 0.758679 0.500000 Zn\n0.000000 0.241321 0.500000 Zn\n0.000000 0.000000 0.000000 Te\n0.333333 0.666667 0.539460 As\n0.666667 0.333333 0.460540 As\n0.602547 0.000000 0.000000 Pb\n0.397453 0.397453 0.000000 Pb\n0.000000 0.602547 0.000000 Pb\n0.540287 0.734019 0.670083 O\n0.459713 0.193732 0.329917 O\n0.122721 0.211794 0.211036 O\n0.265981 0.806268 0.670083 O\n0.089073 0.877279 0.211036 O\n0.910927 0.788206 0.788964 O\n0.666667 0.333333 0.781023 O\n0.877279 0.089073 0.788964 O\n0.193732 0.459713 0.670083 O\n0.788206 0.910927 0.211036 O\n0.333333 0.666667 0.218977 O\n0.211794 0.122721 0.788964 O\n0.806268 0.265981 0.329917 O\n0.734019 0.540287 0.329917 O\n",
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"elements": [
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],
"chemical_system": "As-O-Pb-Te-Zn",
"density": 6.288329556054292,
"density_atomic": 0.06602114395588676,
"volume": 348.37324259888425,
"volume_molar": 9.121533495426561,
"formula_full": "Zn3 Te1 As2 Pb3 O14",
"formula_reduced": "Zn3TeAs2Pb3O14",
"formula_anonymous": "AB2C3D3E14",
"energy": -137.03080241,
"energy_per_atom": -5.957860974347827,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -127.41280241,
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"updated_at": "2021-11-28T01:36:04.808000Z",
"spacegroup": 150
},
{
"id": "mp-1181713",
"created_at": "2022-09-04T14:43:08.950215Z",
"structure_string": "Cr1 Cd1 Cu3 Se4\n1.0\n5.848139 0.000000 0.000000\n0.000000 5.848139 0.000000\n0.000000 0.000000 5.848139\nCr Cd Cu Se\n1 1 3 4\ndirect\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.500000 Cd\n0.000000 0.500000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.000000 0.000000 Cu\n0.236516 0.236516 0.236516 Se\n0.763484 0.763484 0.236516 Se\n0.236516 0.763484 0.763484 Se\n0.763484 0.236516 0.763484 Se\n",
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],
"chemical_system": "Cd-Cr-Cu-Se",
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"density_atomic": 0.04499761027651181,
"volume": 200.0106215573383,
"volume_molar": 13.383245739037575,
"formula_full": "Cr1 Cd1 Cu3 Se4",
"formula_reduced": "CrCdCu3Se4",
"formula_anonymous": "ABC3D4",
"energy": -40.73669856,
"energy_per_atom": -4.52629984,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:35:59.167000Z",
"spacegroup": 215
},
{
"id": "mp-13207",
"created_at": "2022-09-04T14:43:08.958722Z",
"structure_string": "Ce2 Zn2 P2 O2\n1.0\n10.395954 -1.992980 0.000000\n10.395954 1.992980 0.000000\n10.013886 0.000000 3.430733\nCe Zn P O\n2 2 2 2\ndirect\n0.618964 0.618964 0.618964 Ce\n0.381036 0.381036 0.381036 Ce\n0.196093 0.196093 0.196093 Zn\n0.803907 0.803907 0.803907 Zn\n0.113694 0.113694 0.113694 P\n0.886306 0.886306 0.886306 P\n0.695018 0.695018 0.695018 O\n0.304982 0.304982 0.304982 O\n",
"nsites": 8,
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"elements": [
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"P",
"O"
],
"chemical_system": "Ce-O-P-Zn",
"density": 5.898656534879882,
"density_atomic": 0.05627374025830148,
"volume": 142.16222279306987,
"volume_molar": 10.70151145517934,
"formula_full": "Ce2 Zn2 P2 O2",
"formula_reduced": "CeZnPO",
"formula_anonymous": "ABCD",
"energy": -51.044196150000005,
"energy_per_atom": -6.380524518750001,
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"updated_at": "2021-11-28T01:36:09.023000Z",
"spacegroup": 166
}
]
}