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"results": [
{
"id": "mp-1245121",
"created_at": "2022-09-04T14:47:55.198011Z",
"structure_string": "Zn50 S50\n1.0\n12.734203 0.602753 0.866100\n0.589183 13.682042 0.123827\n0.892227 0.119205 13.869363\nZn S\n50 50\ndirect\n0.402224 0.634407 0.782713 Zn\n0.418453 0.276843 0.771649 Zn\n0.549235 0.385106 0.836289 Zn\n0.334509 0.072863 0.599334 Zn\n0.902206 0.810241 0.232522 Zn\n0.837525 0.578507 0.363807 Zn\n0.917730 0.244993 0.887081 Zn\n0.644650 0.696006 0.813668 Zn\n0.068698 0.374558 0.004570 Zn\n0.236734 0.214954 0.788320 Zn\n0.521561 0.280307 0.384588 Zn\n0.914603 0.708343 0.833502 Zn\n0.370294 0.853731 0.766203 Zn\n0.213431 0.078407 0.329195 Zn\n0.079370 0.721336 0.443289 Zn\n0.609721 0.315951 0.078522 Zn\n0.374270 0.360324 0.550634 Zn\n0.745686 0.038389 0.332655 Zn\n0.535209 0.073574 0.049101 Zn\n0.079980 0.995954 0.751871 Zn\n0.351011 0.839525 0.399957 Zn\n0.484424 0.014708 0.349143 Zn\n0.974352 0.201885 0.720958 Zn\n0.606527 0.996229 0.589260 Zn\n0.331525 0.300739 0.367556 Zn\n0.387366 0.935035 0.970945 Zn\n0.073006 0.643502 0.923908 Zn\n0.597812 0.507754 0.605392 Zn\n0.756667 0.261518 0.642104 Zn\n0.706928 0.974365 0.888192 Zn\n0.500637 0.618173 0.240647 Zn\n0.066899 0.457303 0.703375 Zn\n0.563728 0.192954 0.848836 Zn\n0.982329 0.163503 0.131898 Zn\n0.362734 0.946361 0.156145 Zn\n0.840028 0.891189 0.681438 Zn\n0.770313 0.365641 0.238049 Zn\n0.854914 0.501304 0.721508 Zn\n0.125135 0.507481 0.469661 Zn\n0.689248 0.533581 0.005324 Zn\n0.329769 0.630336 0.388438 Zn\n0.953800 0.386826 0.591509 Zn\n0.262805 0.374068 0.876904 Zn\n0.754190 0.795235 0.435842 Zn\n0.258605 0.218737 0.124449 Zn\n0.530273 0.623800 0.407693 Zn\n0.026792 0.320860 0.358628 Zn\n0.219789 0.659180 0.209940 Zn\n0.405158 0.780204 0.056129 Zn\n0.094762 0.788778 0.808391 Zn\n0.561276 0.652342 0.686025 S\n0.898657 0.120888 0.283430 S\n0.473146 0.875876 0.264053 S\n0.000898 0.800051 0.089786 S\n0.232625 0.367288 0.049888 S\n0.186004 0.246060 0.302192 S\n0.633805 0.276785 0.229943 S\n0.388008 0.632709 0.121044 S\n0.409438 0.123640 0.168539 S\n0.067381 0.639571 0.594238 S\n0.446839 0.938091 0.631684 S\n0.670061 0.126137 0.696275 S\n0.522247 0.436302 0.484756 S\n0.270695 0.987168 0.863064 S\n0.261763 0.733544 0.739136 S\n0.769342 0.920956 0.539548 S\n0.170498 0.985513 0.206108 S\n0.868793 0.262911 0.338671 S\n0.523755 0.029532 0.892087 S\n0.929664 0.718924 0.369748 S\n0.919945 0.296450 0.047718 S\n0.760520 0.820184 0.827875 S\n0.802327 0.057846 0.754131 S\n0.821717 0.518802 0.205185 S\n0.552723 0.442878 0.991498 S\n0.154901 0.128994 0.682615 S\n0.593429 0.106548 0.422108 S\n0.959414 0.461030 0.435156 S\n0.699194 0.408480 0.709230 S\n0.690091 0.638287 0.461691 S\n0.698110 0.200930 0.961550 S\n0.789311 0.581121 0.868990 S\n0.739168 0.884431 0.282840 S\n0.386942 0.713378 0.506512 S\n0.199622 0.785456 0.330692 S\n0.149834 0.091679 0.095489 S\n0.697648 0.606558 0.151444 S\n0.190102 0.387915 0.573875 S\n0.923989 0.226062 0.569622 S\n0.088495 0.662635 0.091472 S\n0.236402 0.519402 0.326889 S\n0.118283 0.941528 0.903361 S\n0.309972 0.015341 0.442900 S\n0.722945 0.064253 0.033260 S\n0.906028 0.659528 0.650627 S\n0.426783 0.210947 0.619900 S\n0.098275 0.476386 0.864610 S\n0.023089 0.873524 0.675888 S\n0.392753 0.460855 0.784176 S\n0.469827 0.761002 0.889376 S\n",
"nsites": 100,
"nelements": 2,
"elements": [
"Zn",
"S"
],
"chemical_system": "S-Zn",
"density": 3.3708081090215973,
"density_atomic": 0.0416510678016549,
"volume": 2400.898831122566,
"volume_molar": 14.458550711539562,
"formula_full": "Zn50 S50",
"formula_reduced": "ZnS",
"formula_anonymous": "AB",
"energy": -335.16917706,
"energy_per_atom": -3.3516917706,
"energy_above_hull": null,
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"band_gap": 1.0037999999999998,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:19.063000Z",
"spacegroup": 1
},
{
"id": "mp-705030",
"created_at": "2022-09-04T14:45:34.029188Z",
"structure_string": "Li2 Cr2 P10 O30\n1.0\n9.699341 0.000000 0.000000\n0.000000 5.262690 0.000000\n0.000000 4.336197 12.390209\nLi Cr P O\n2 2 10 30\ndirect\n0.607546 0.050708 0.567322 Li\n0.392454 0.050708 0.067322 Li\n0.003463 0.011271 0.495613 Cr\n0.996537 0.011271 0.995613 Cr\n0.824071 0.595516 0.411574 P\n0.177977 0.428391 0.580743 P\n0.527828 0.466752 0.143480 P\n0.822023 0.428391 0.080743 P\n0.472172 0.466752 0.643480 P\n0.983204 0.011566 0.245767 P\n0.530389 0.525114 0.359901 P\n0.469611 0.525114 0.859901 P\n0.175929 0.595516 0.911574 P\n0.016796 0.011566 0.745767 P\n0.593422 0.489061 0.252748 O\n0.940793 0.972640 0.651499 O\n0.881129 0.755171 0.292205 O\n0.869302 0.299567 0.999742 O\n0.847733 0.724840 0.056743 O\n0.939739 0.048003 0.839706 O\n0.060261 0.048003 0.339706 O\n0.848148 0.296282 0.438125 O\n0.410848 0.715699 0.339790 O\n0.118421 0.266207 0.700080 O\n0.582472 0.255943 0.662515 O\n0.337019 0.358565 0.599463 O\n0.059207 0.972640 0.151499 O\n0.510326 0.743046 0.572781 O\n0.663897 0.660052 0.396056 O\n0.336103 0.660052 0.896056 O\n0.151852 0.296282 0.938125 O\n0.881579 0.266207 0.200080 O\n0.152267 0.724840 0.556743 O\n0.118871 0.755171 0.792205 O\n0.494873 0.250354 0.938948 O\n0.662981 0.358565 0.099463 O\n0.871686 0.724986 0.492491 O\n0.130698 0.299567 0.499742 O\n0.489674 0.743046 0.072781 O\n0.406578 0.489061 0.752748 O\n0.417528 0.255943 0.162515 O\n0.505127 0.250354 0.438948 O\n0.589152 0.715699 0.839790 O\n0.128314 0.724986 0.992491 O\n",
"nsites": 44,
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"elements": [
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"Cr",
"P",
"O"
],
"chemical_system": "Cr-Li-O-P",
"density": 2.3829338066572006,
"density_atomic": 0.06957032427326407,
"volume": 632.4535706801246,
"volume_molar": 8.656191879091635,
"formula_full": "Li2 Cr2 P10 O30",
"formula_reduced": "LiCr(PO3)5",
"formula_anonymous": "ABC5D15",
"energy": -335.1717137,
"energy_per_atom": -7.617538947727272,
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"updated_at": "2021-11-28T01:37:03.910000Z",
"spacegroup": 7
},
{
"id": "mp-1041097",
"created_at": "2022-09-04T14:40:04.881210Z",
"structure_string": "Mg6 Mn12 O24\n1.0\n2.954259 5.435608 0.000000\n-2.954259 5.435608 0.000000\n0.000000 1.066521 14.802412\nMg Mn O\n6 12 24\ndirect\n0.163265 0.163265 0.952603 Mg\n0.506586 0.506586 0.619170 Mg\n0.840452 0.840452 0.665025 Mg\n0.831074 0.831074 0.290455 Mg\n0.496039 0.496039 0.999229 Mg\n0.502960 0.502960 0.377227 Mg\n0.667504 0.667504 0.833718 Mn\n0.666064 0.170414 0.833148 Mn\n0.004521 0.004521 0.500293 Mn\n0.170414 0.666064 0.833148 Mn\n0.006064 0.509625 0.501535 Mn\n0.166965 0.166965 0.334036 Mn\n0.171408 0.171408 0.712828 Mn\n0.330497 0.330497 0.168045 Mn\n0.509625 0.006064 0.501535 Mn\n0.326245 0.830534 0.165296 Mn\n0.830534 0.326245 0.165296 Mn\n0.830753 0.830753 0.047077 Mn\n0.348212 0.348212 0.909772 O\n0.494985 0.494985 0.756848 O\n0.345945 0.806447 0.906090 O\n0.806447 0.345945 0.906090 O\n0.688803 0.688803 0.580484 O\n0.535573 0.000656 0.763356 O\n0.828592 0.828592 0.425509 O\n0.000656 0.535573 0.763356 O\n0.843347 0.843347 0.908942 O\n0.693534 0.152310 0.576635 O\n0.152310 0.693534 0.576635 O\n0.985082 0.985082 0.757751 O\n0.009944 0.009944 0.242270 O\n0.865155 0.315485 0.417867 O\n0.315485 0.865155 0.417867 O\n0.154469 0.154469 0.089804 O\n0.180003 0.180003 0.574299 O\n0.016025 0.469120 0.247482 O\n0.469120 0.016025 0.247482 O\n0.324173 0.324173 0.423134 O\n0.188624 0.642398 0.090638 O\n0.642398 0.188624 0.090638 O\n0.507101 0.507101 0.241039 O\n0.645141 0.645141 0.087236 O\n",
"nsites": 42,
"nelements": 3,
"elements": [
"Mg",
"Mn",
"O"
],
"chemical_system": "Mg-Mn-O",
"density": 4.153346087011359,
"density_atomic": 0.08834665492407315,
"volume": 475.40000281952524,
"volume_molar": 6.816489843532328,
"formula_full": "Mg6 Mn12 O24",
"formula_reduced": "MgMn2O4",
"formula_anonymous": "AB2C4",
"energy": -335.18200107,
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"updated_at": "2021-11-28T01:34:49.179000Z",
"spacegroup": 8
},
{
"id": "mp-1647864",
"created_at": "2022-09-04T14:43:02.809490Z",
"structure_string": "Na8 Co4 Si4 C4 O28\n1.0\n0.030075 -0.000821 5.150565\n9.667754 0.008420 -0.198499\n0.011811 12.584490 -0.002199\nNa Co Si C O\n8 4 4 4 28\ndirect\n0.241281 0.242546 0.001470 Na\n0.253293 0.240962 0.500847 Na\n0.245586 0.242877 0.251788 Na\n0.244285 0.241762 0.746444 Na\n0.754315 0.757102 0.248211 Na\n0.755779 0.758224 0.753578 Na\n0.758752 0.757446 0.498522 Na\n0.746600 0.759035 0.999158 Na\n0.806380 0.377989 0.874846 Co\n0.193623 0.622009 0.625155 Co\n0.813409 0.398882 0.375750 Co\n0.186522 0.601105 0.124243 Co\n0.683292 0.423244 0.125833 Si\n0.679254 0.431533 0.624605 Si\n0.316652 0.576742 0.374154 Si\n0.320753 0.568461 0.875405 Si\n0.745139 0.061244 0.375606 C\n0.727234 0.070792 0.874179 C\n0.254757 0.938746 0.124394 C\n0.273009 0.929222 0.625826 C\n0.264901 0.070839 0.126748 O\n0.236468 0.059544 0.624719 O\n0.735017 0.929153 0.373242 O\n0.763763 0.940462 0.875293 O\n0.963355 0.125712 0.377797 O\n0.926560 0.154090 0.872822 O\n0.036547 0.874282 0.122205 O\n0.073643 0.845954 0.627174 O\n0.533725 0.129260 0.375797 O\n0.499561 0.120635 0.874436 O\n0.466174 0.870728 0.124210 O\n0.500680 0.879387 0.625564 O\n0.184398 0.420968 0.377338 O\n0.177345 0.416113 0.873026 O\n0.815539 0.579021 0.122659 O\n0.822655 0.583898 0.626974 O\n0.362094 0.428764 0.126606 O\n0.357749 0.444575 0.623005 O\n0.637853 0.571226 0.373387 O\n0.642238 0.555425 0.876996 O\n0.761859 0.334353 0.018746 O\n0.754929 0.343464 0.516427 O\n0.770531 0.340072 0.234639 O\n0.747549 0.338293 0.731105 O\n0.229401 0.659913 0.265352 O\n0.252425 0.661736 0.768906 O\n0.238108 0.665669 0.481240 O\n0.245016 0.656537 0.983571 O\n",
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"formula_full": "Na8 Co4 Si4 C4 O28",
"formula_reduced": "Na2CoSiCO7",
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"updated_at": "2021-11-28T01:35:56.737000Z",
"spacegroup": 2
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{
"id": "mp-1196458",
"created_at": "2022-09-04T14:41:59.049760Z",
"structure_string": "Eu20 Pt16\n1.0\n7.755582 0.000000 0.000000\n0.000000 7.936549 0.000000\n0.000000 0.000000 15.285404\nEu Pt\n20 16\ndirect\n0.657031 0.166990 0.622337 Eu\n0.157031 0.333010 0.877663 Eu\n0.342969 0.833010 0.122337 Eu\n0.842969 0.666990 0.377663 Eu\n0.342969 0.833010 0.377663 Eu\n0.842969 0.666990 0.122337 Eu\n0.657031 0.166990 0.877663 Eu\n0.157031 0.333010 0.622337 Eu\n0.499353 0.680205 0.593965 Eu\n0.999353 0.819795 0.906035 Eu\n0.500647 0.319795 0.093965 Eu\n0.000647 0.180205 0.406035 Eu\n0.500647 0.319795 0.406035 Eu\n0.000647 0.180205 0.093965 Eu\n0.499353 0.680205 0.906035 Eu\n0.999353 0.819795 0.593965 Eu\n0.817345 0.510776 0.750000 Eu\n0.317345 0.989224 0.750000 Eu\n0.182655 0.489224 0.250000 Eu\n0.682655 0.010776 0.250000 Eu\n0.677433 0.967504 0.459270 Pt\n0.177433 0.532496 0.040730 Pt\n0.322567 0.032496 0.959270 Pt\n0.822567 0.467504 0.540730 Pt\n0.322567 0.032496 0.540730 Pt\n0.822567 0.467504 0.959270 Pt\n0.677433 0.967504 0.040730 Pt\n0.177433 0.532496 0.459270 Pt\n0.450232 0.391371 0.750000 Pt\n0.950232 0.108629 0.750000 Pt\n0.549768 0.608629 0.250000 Pt\n0.049768 0.891371 0.250000 Pt\n0.693221 0.864094 0.750000 Pt\n0.193221 0.635906 0.750000 Pt\n0.306779 0.135906 0.250000 Pt\n0.806779 0.364094 0.250000 Pt\n",
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"elements": [
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"density": 10.873034927719075,
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"volume": 940.8556943520806,
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"formula_full": "Eu20 Pt16",
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{
"id": "mp-653429",
"created_at": "2022-09-04T14:42:55.194715Z",
"structure_string": "Mn14 Fe2 Cl6 O20\n1.0\n0.000000 6.674327 6.674327\n6.674327 0.000000 6.674327\n6.674327 6.674327 0.000000\nMn Fe Cl O\n14 2 6 20\ndirect\n0.648638 0.000000 0.351362 Mn\n0.351362 0.648638 0.000000 Mn\n0.000000 0.000000 0.351362 Mn\n0.648638 0.000000 0.000000 Mn\n0.351362 0.000000 0.648638 Mn\n0.000000 0.351362 0.648638 Mn\n0.000000 0.351362 0.000000 Mn\n0.648638 0.351362 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.000000 0.648638 0.000000 Mn\n0.000000 0.000000 0.648638 Mn\n0.000000 0.648638 0.351362 Mn\n0.351362 0.000000 0.000000 Mn\n0.000000 0.000000 0.000000 Mn\n0.250000 0.250000 0.250000 Fe\n0.750000 0.750000 0.750000 Fe\n0.696509 0.303491 0.303491 Cl\n0.303491 0.696509 0.696509 Cl\n0.696509 0.696509 0.303491 Cl\n0.303491 0.696509 0.303491 Cl\n0.696509 0.303491 0.696509 Cl\n0.303491 0.303491 0.696509 Cl\n0.596281 0.903719 0.903719 O\n0.596281 0.903719 0.596281 O\n0.300043 0.899986 0.899986 O\n0.596281 0.596281 0.903719 O\n0.903719 0.596281 0.903719 O\n0.096281 0.096281 0.403719 O\n0.403719 0.096281 0.096281 O\n0.903719 0.596281 0.596281 O\n0.100014 0.699957 0.100014 O\n0.899986 0.300043 0.899986 O\n0.100014 0.100014 0.100014 O\n0.403719 0.403719 0.096281 O\n0.903719 0.903719 0.596281 O\n0.699957 0.100014 0.100014 O\n0.096281 0.403719 0.403719 O\n0.899986 0.899986 0.300043 O\n0.403719 0.096281 0.403719 O\n0.899986 0.899986 0.899986 O\n0.100014 0.100014 0.699957 O\n0.096281 0.403719 0.096281 O\n",
"nsites": 42,
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"elements": [
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"Cl",
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],
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"formula_full": "Mn14 Fe2 Cl6 O20",
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{
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"id": "mp-1201897",
"created_at": "2022-09-04T14:41:24.380705Z",
"structure_string": "V4 Ag4 P8 O28\n1.0\n8.175417 0.000000 0.000000\n0.000000 7.458098 0.000000\n0.000000 3.629588 9.048042\nV Ag P O\n4 4 8 28\ndirect\n0.506930 0.238343 0.249906 V\n0.006930 0.761657 0.250094 V\n0.493070 0.761657 0.750094 V\n0.993070 0.238343 0.749906 V\n0.528061 0.207049 0.809633 Ag\n0.028061 0.792951 0.690367 Ag\n0.471939 0.792951 0.190367 Ag\n0.971939 0.207049 0.309633 Ag\n0.745851 0.425435 0.955974 P\n0.245851 0.574565 0.544026 P\n0.254149 0.574565 0.044026 P\n0.754149 0.425435 0.455974 P\n0.708293 0.825315 0.454070 P\n0.208293 0.174685 0.045930 P\n0.291707 0.174685 0.545930 P\n0.791707 0.825315 0.954070 P\n0.705395 0.313730 0.119288 O\n0.205395 0.686270 0.380712 O\n0.294605 0.686270 0.880712 O\n0.794605 0.313730 0.619288 O\n0.586946 0.963882 0.346411 O\n0.086946 0.036118 0.153589 O\n0.413054 0.036118 0.653589 O\n0.913054 0.963882 0.846411 O\n0.693711 0.814075 0.613514 O\n0.193711 0.185925 0.886486 O\n0.306289 0.185925 0.386486 O\n0.806289 0.814075 0.113514 O\n0.590458 0.492512 0.859054 O\n0.090458 0.507488 0.640946 O\n0.409542 0.507488 0.140946 O\n0.909542 0.492512 0.359054 O\n0.636725 0.315370 0.398229 O\n0.136725 0.684630 0.101771 O\n0.363275 0.684630 0.601771 O\n0.863275 0.315370 0.898229 O\n0.612991 0.860756 0.900380 O\n0.112991 0.139244 0.599620 O\n0.387009 0.139244 0.099620 O\n0.887009 0.860756 0.400380 O\n0.655620 0.618673 0.447288 O\n0.155620 0.381327 0.052712 O\n0.344380 0.381327 0.552712 O\n0.844380 0.618673 0.947288 O\n",
"nsites": 44,
"nelements": 4,
"elements": [
"V",
"Ag",
"P",
"O"
],
"chemical_system": "Ag-O-P-V",
"density": 4.006254109800491,
"density_atomic": 0.0797553947869547,
"volume": 551.686818396853,
"volume_molar": 7.550762899596379,
"formula_full": "V4 Ag4 P8 O28",
"formula_reduced": "VAgP2O7",
"formula_anonymous": "ABC2D7",
"energy": -335.23557612,
"energy_per_atom": -7.6189903663636365,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -309.19957612,
"band_gap": 2.0397,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.9987225,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:15.212000Z",
"spacegroup": 14
}
]
}