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{
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"results": [
{
"id": "mp-1044357",
"created_at": "2022-09-04T14:48:05.134958Z",
"structure_string": "Mg2 Ti2 Mn2 P6 O24\n1.0\n7.371195 -4.317812 0.000000\n7.371195 4.317812 0.000000\n4.841958 0.000000 7.038001\nMg Ti Mn P O\n2 2 2 6 24\ndirect\n0.002195 0.002195 0.002195 Mg\n0.502195 0.502195 0.502195 Mg\n0.856469 0.856469 0.856469 Ti\n0.356469 0.356469 0.356469 Ti\n0.643231 0.643231 0.643231 Mn\n0.143231 0.143231 0.143231 Mn\n0.248848 0.955319 0.543971 P\n0.955319 0.543971 0.248848 P\n0.543971 0.248848 0.955319 P\n0.455319 0.748848 0.043971 P\n0.043971 0.455319 0.748848 P\n0.748848 0.043971 0.455319 P\n0.684706 0.888805 0.491312 O\n0.491312 0.684706 0.888805 O\n0.087955 0.946736 0.741810 O\n0.888805 0.491312 0.684706 O\n0.184706 0.991312 0.388805 O\n0.407852 0.758959 0.560627 O\n0.946736 0.741810 0.087955 O\n0.758959 0.560627 0.407852 O\n0.619002 0.815327 0.996878 O\n0.560627 0.407852 0.758959 O\n0.258959 0.907852 0.060627 O\n0.996878 0.619002 0.815327 O\n0.991312 0.388805 0.184706 O\n0.741810 0.087955 0.946736 O\n0.446736 0.587955 0.241810 O\n0.388805 0.184706 0.991312 O\n0.241810 0.446736 0.587955 O\n0.060627 0.258959 0.907852 O\n0.587955 0.241810 0.446736 O\n0.815327 0.996878 0.619002 O\n0.119002 0.496878 0.315327 O\n0.907852 0.060627 0.258959 O\n0.496878 0.315327 0.119002 O\n0.315327 0.119002 0.496878 O\n",
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"spacegroup": 161
},
{
"id": "mp-1221984",
"created_at": "2022-09-04T14:44:07.456784Z",
"structure_string": "Mn3 Fe8 Cu1 O16\n1.0\n-4.323048 -4.323048 0.000000\n0.000000 4.323048 -4.323048\n4.335186 -4.335186 -8.658234\nMn Fe Cu O\n3 8 1 16\ndirect\n0.812755 0.125510 0.561735 Mn\n0.187752 0.875504 0.436743 Mn\n0.687054 0.874108 0.938838 Mn\n0.999831 0.499662 0.000507 Fe\n0.499906 0.499812 0.500282 Fe\n0.750151 0.000302 0.248677 Fe\n0.249885 0.999769 0.751586 Fe\n0.750151 0.501172 0.248677 Fe\n0.249885 0.498529 0.751586 Fe\n0.251022 0.501172 0.248677 Fe\n0.748644 0.498529 0.751586 Fe\n0.312433 0.124866 0.062701 Cu\n0.882232 0.264465 0.353303 O\n0.379941 0.259881 0.860178 O\n0.109378 0.718755 0.129287 O\n0.604605 0.709210 0.632247 O\n0.109378 0.261336 0.129287 O\n0.604605 0.263148 0.632247 O\n0.651958 0.261336 0.129287 O\n0.158544 0.263148 0.632247 O\n0.618196 0.736391 0.145413 O\n0.118333 0.736667 0.645000 O\n0.395345 0.290691 0.368231 O\n0.894855 0.289710 0.868406 O\n0.395345 0.736424 0.368231 O\n0.894855 0.736739 0.868406 O\n0.841079 0.736424 0.368231 O\n0.341885 0.736739 0.868406 O\n",
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"elements": [
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"density": 4.774265814463241,
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"volume": 323.849881589418,
"volume_molar": 6.965248471574312,
"formula_full": "Mn3 Fe8 Cu1 O16",
"formula_reduced": "Mn3Fe8CuO16",
"formula_anonymous": "AB3C8D16",
"energy": -225.62343069000005,
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"updated_at": "2021-11-28T01:36:30.889000Z",
"spacegroup": 160
},
{
"id": "mp-774828",
"created_at": "2022-09-04T14:41:46.298901Z",
"structure_string": "V3 Fe2 Ni1 P6 O24\n1.0\n7.306549 -4.318681 0.000000\n7.306549 4.318681 0.000000\n4.753906 0.000000 7.031148\nV Fe Ni P O\n3 2 1 6 24\ndirect\n0.356717 0.356717 0.356717 V\n0.141470 0.141470 0.141470 V\n0.643727 0.643727 0.643727 V\n0.996800 0.996800 0.996800 Fe\n0.498972 0.498972 0.498972 Fe\n0.858173 0.858173 0.858173 Ni\n0.458567 0.752160 0.043409 P\n0.752160 0.043409 0.458567 P\n0.043409 0.458567 0.752160 P\n0.957838 0.541878 0.251165 P\n0.251165 0.957838 0.541878 P\n0.541878 0.251165 0.957838 P\n0.689007 0.879783 0.495746 O\n0.879783 0.495746 0.689007 O\n0.495746 0.689007 0.879783 O\n0.257771 0.911637 0.058671 O\n0.612084 0.810526 0.015759 O\n0.432528 0.587605 0.240687 O\n0.911637 0.058671 0.257771 O\n0.587605 0.240687 0.432528 O\n0.997563 0.379520 0.187149 O\n0.240687 0.432528 0.587605 O\n0.948425 0.735530 0.095599 O\n0.187149 0.997563 0.379520 O\n0.810526 0.015759 0.612084 O\n0.058671 0.257771 0.911637 O\n0.761896 0.552150 0.416145 O\n0.015759 0.612084 0.810526 O\n0.416145 0.761896 0.552150 O\n0.095599 0.948425 0.735530 O\n0.552150 0.416145 0.761896 O\n0.379520 0.187149 0.997563 O\n0.735530 0.095599 0.948425 O\n0.492117 0.325867 0.115336 O\n0.115336 0.492117 0.325867 O\n0.325867 0.115336 0.492117 O\n",
"nsites": 36,
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"elements": [
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"Fe",
"Ni",
"P",
"O"
],
"chemical_system": "Fe-Ni-O-P-V",
"density": 3.341938369446261,
"density_atomic": 0.0811302545060228,
"volume": 443.73088953304705,
"volume_molar": 7.422805212022277,
"formula_full": "V3 Fe2 Ni1 P6 O24",
"formula_reduced": "V3Fe2Ni(PO4)6",
"formula_anonymous": "AB2C3D6E24",
"energy": -290.08879924,
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"updated_at": "2021-11-28T01:35:21.494000Z",
"spacegroup": 146
},
{
"id": "mp-560630",
"created_at": "2022-09-04T14:39:31.652815Z",
"structure_string": "Nd2 Tl2 Mo4 O16\n1.0\n6.411161 0.000000 0.000000\n0.000000 6.411161 0.000000\n0.000000 0.000000 9.707176\nNd Tl Mo O\n2 2 4 16\ndirect\n0.000000 0.000000 0.000000 Nd\n0.500000 0.500000 0.500000 Nd\n0.000000 0.000000 0.500000 Tl\n0.500000 0.500000 0.000000 Tl\n0.000000 0.500000 0.750000 Mo\n0.000000 0.500000 0.250000 Mo\n0.500000 0.000000 0.750000 Mo\n0.500000 0.000000 0.250000 Mo\n0.389310 0.196213 0.360713 O\n0.389310 0.803787 0.639287 O\n0.110690 0.696213 0.860713 O\n0.610690 0.196213 0.639287 O\n0.110690 0.303787 0.139287 O\n0.803787 0.389310 0.360713 O\n0.303787 0.110690 0.860713 O\n0.196213 0.610690 0.360713 O\n0.889310 0.696213 0.139287 O\n0.696213 0.889310 0.860713 O\n0.610690 0.803787 0.360713 O\n0.803787 0.610690 0.639287 O\n0.196213 0.389310 0.639287 O\n0.889310 0.303787 0.860713 O\n0.303787 0.889310 0.139287 O\n0.696213 0.110690 0.139287 O\n",
"nsites": 24,
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"elements": [
"Nd",
"Tl",
"Mo",
"O"
],
"chemical_system": "Mo-Nd-O-Tl",
"density": 5.564351534536494,
"density_atomic": 0.060151293572431194,
"volume": 398.9939130918339,
"volume_molar": 10.011656279259295,
"formula_full": "Nd2 Tl2 Mo4 O16",
"formula_reduced": "NdTl(MoO4)2",
"formula_anonymous": "ABC2D8",
"energy": -193.39266227,
"energy_per_atom": -8.058027594583333,
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"updated_at": "2021-11-28T01:34:26.052000Z",
"spacegroup": 126
},
{
"id": "mp-1435972",
"created_at": "2022-09-04T14:43:25.024222Z",
"structure_string": "Y1 Co1 O3\n1.0\n3.785831 0.000000 0.000000\n0.000000 3.785831 0.000000\n0.000000 0.000000 3.785831\nY Co O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 Co\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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],
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"density": 5.993226885848512,
"density_atomic": 0.09214808941391314,
"volume": 54.26048474581901,
"volume_molar": 6.535285536903098,
"formula_full": "Y1 Co1 O3",
"formula_reduced": "YCoO3",
"formula_anonymous": "ABC3",
"energy": -40.29077477,
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"energy_above_hull": null,
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"energy_uncorrected": -36.59177477,
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"updated_at": "2021-11-28T01:36:18.353000Z",
"spacegroup": 221
},
{
"id": "mp-1102298",
"created_at": "2022-09-04T14:45:14.630699Z",
"structure_string": "Eu3 B2 Pt7\n1.0\n7.929384 -2.812735 0.000000\n7.929384 2.812735 0.000000\n6.931642 0.000000 4.768537\nEu B Pt\n3 2 7\ndirect\n0.855819 0.855819 0.855819 Eu\n0.144181 0.144181 0.144181 Eu\n0.000000 0.000000 0.000000 Eu\n0.668940 0.668940 0.668940 B\n0.331060 0.331060 0.331060 B\n0.436160 0.932235 0.436160 Pt\n0.436160 0.436160 0.932235 Pt\n0.932235 0.436160 0.436160 Pt\n0.563840 0.067765 0.563840 Pt\n0.563840 0.563840 0.067765 Pt\n0.067765 0.563840 0.563840 Pt\n0.500000 0.500000 0.500000 Pt\n",
"nsites": 12,
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"elements": [
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],
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"density": 14.388484323654765,
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"volume": 212.7078020092109,
"volume_molar": 10.674636037080658,
"formula_full": "Eu3 B2 Pt7",
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"updated_at": "2021-11-28T01:36:55.156000Z",
"spacegroup": 166
},
{
"id": "mp-777476",
"created_at": "2022-09-04T14:42:52.000031Z",
"structure_string": "Cr2 Fe4 P6 O24\n1.0\n7.225212 -4.307152 0.000000\n7.225212 4.307152 0.000000\n4.657597 0.000000 7.004430\nCr Fe P O\n2 4 6 24\ndirect\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.500000 Cr\n0.146110 0.146110 0.146110 Fe\n0.353890 0.353890 0.353890 Fe\n0.646110 0.646110 0.646110 Fe\n0.853890 0.853890 0.853890 Fe\n0.750000 0.048400 0.451600 P\n0.048400 0.451600 0.750000 P\n0.451600 0.750000 0.048400 P\n0.548400 0.250000 0.951600 P\n0.951600 0.548400 0.250000 P\n0.250000 0.951600 0.548400 P\n0.324675 0.105481 0.504953 O\n0.504953 0.324675 0.105481 O\n0.905172 0.063003 0.248103 O\n0.105481 0.504953 0.324675 O\n0.824675 0.004953 0.605481 O\n0.594828 0.251897 0.436997 O\n0.063003 0.248103 0.905172 O\n0.251897 0.436997 0.594828 O\n0.394519 0.175325 0.995047 O\n0.436997 0.594828 0.251897 O\n0.751897 0.094828 0.936997 O\n0.995047 0.394519 0.175325 O\n0.004953 0.605481 0.824675 O\n0.248103 0.905172 0.063003 O\n0.563003 0.405172 0.748103 O\n0.605481 0.824675 0.004953 O\n0.748103 0.563003 0.405172 O\n0.936997 0.751897 0.094828 O\n0.405172 0.748103 0.563003 O\n0.175325 0.995047 0.394519 O\n0.894519 0.495047 0.675325 O\n0.094828 0.936997 0.751897 O\n0.495047 0.675325 0.894519 O\n0.675325 0.894519 0.495047 O\n",
"nsites": 36,
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"elements": [
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],
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"density_atomic": 0.0825769642025976,
"volume": 435.95693239189774,
"volume_molar": 7.2927611448939205,
"formula_full": "Cr2 Fe4 P6 O24",
"formula_reduced": "CrFe2(PO4)3",
"formula_anonymous": "AB2C3D12",
"energy": -290.09463664,
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"updated_at": "2021-11-28T01:36:02.064000Z",
"spacegroup": 167
},
{
"id": "mp-775448",
"created_at": "2022-09-04T14:39:47.612973Z",
"structure_string": "Li8 Ti12 Ni4 O32\n1.0\n8.442835 0.000000 0.000000\n0.000000 8.442835 0.000000\n0.000000 0.000000 8.442835\nLi Ti Ni O\n8 12 4 32\ndirect\n0.126411 0.873589 0.373589 Li\n0.247322 0.747322 0.752678 Li\n0.252678 0.252678 0.252678 Li\n0.373589 0.126411 0.873589 Li\n0.626411 0.626411 0.626411 Li\n0.747322 0.752678 0.247322 Li\n0.752678 0.247322 0.747322 Li\n0.873589 0.373589 0.126411 Li\n0.116613 0.621653 0.129402 Ti\n0.121653 0.370598 0.883387 Ti\n0.129402 0.116613 0.621653 Ti\n0.370598 0.883387 0.121653 Ti\n0.378347 0.629402 0.383387 Ti\n0.383387 0.378347 0.629402 Ti\n0.616613 0.878347 0.870598 Ti\n0.621653 0.129402 0.116613 Ti\n0.629402 0.383387 0.378347 Ti\n0.870598 0.616613 0.878347 Ti\n0.878347 0.870598 0.616613 Ti\n0.883387 0.121653 0.370598 Ti\n0.002796 0.497204 0.502796 Ni\n0.497204 0.502796 0.002796 Ni\n0.502796 0.002796 0.497204 Ni\n0.997204 0.997204 0.997204 Ni\n0.108140 0.125484 0.391224 O\n0.108776 0.891860 0.625484 O\n0.110869 0.610869 0.889131 O\n0.125484 0.391224 0.108140 O\n0.126507 0.144073 0.858981 O\n0.137667 0.362333 0.637667 O\n0.141019 0.626507 0.355927 O\n0.144073 0.858981 0.126507 O\n0.355927 0.141019 0.626507 O\n0.358981 0.373493 0.855927 O\n0.362333 0.637667 0.137667 O\n0.373493 0.855927 0.358981 O\n0.374516 0.608776 0.608140 O\n0.389131 0.389131 0.389131 O\n0.391224 0.108140 0.125484 O\n0.391860 0.874516 0.891224 O\n0.608140 0.374516 0.608776 O\n0.608776 0.608140 0.374516 O\n0.610869 0.889131 0.110869 O\n0.625484 0.108776 0.891860 O\n0.626507 0.355927 0.141019 O\n0.637667 0.137667 0.362333 O\n0.641019 0.873493 0.644073 O\n0.644073 0.641019 0.873493 O\n0.855927 0.358981 0.373493 O\n0.858981 0.126507 0.144073 O\n0.862333 0.862333 0.862333 O\n0.873493 0.644073 0.641019 O\n0.874516 0.891224 0.391860 O\n0.889131 0.110869 0.610869 O\n0.891224 0.391860 0.874516 O\n0.891860 0.625484 0.108776 O\n",
"nsites": 56,
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"elements": [
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],
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"formula_full": "Li8 Ti12 Ni4 O32",
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},
{
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{
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"formula_full": "Li9 Mn12 B12 O36",
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{
"id": "mp-780614",
"created_at": "2022-09-04T14:47:39.047355Z",
"structure_string": "Nb1 Cr3 P6 O24\n1.0\n7.725016 -4.315218 0.000000\n7.725016 4.315218 0.000000\n5.314522 0.000000 7.074803\nNb Cr P O\n1 3 6 24\ndirect\n0.860561 0.860561 0.860561 Nb\n0.143291 0.143291 0.143291 Cr\n0.357219 0.357219 0.357219 Cr\n0.642876 0.642876 0.642876 Cr\n0.035975 0.460275 0.749856 P\n0.460275 0.749856 0.035975 P\n0.749856 0.035975 0.460275 P\n0.259501 0.967303 0.526201 P\n0.526201 0.259501 0.967303 P\n0.967303 0.526201 0.259501 P\n0.138239 0.504160 0.282682 O\n0.282682 0.138239 0.504160 O\n0.064668 0.279784 0.921859 O\n0.504160 0.282682 0.138239 O\n0.217148 0.434047 0.577535 O\n0.006373 0.633492 0.778684 O\n0.279784 0.921859 0.064668 O\n0.434047 0.577536 0.217148 O\n0.577536 0.217148 0.434047 O\n0.223829 0.993322 0.361235 O\n0.083297 0.940023 0.708877 O\n0.361235 0.223829 0.993322 O\n0.633492 0.778684 0.006373 O\n0.921859 0.064668 0.279784 O\n0.778684 0.006373 0.633492 O\n0.428431 0.786293 0.557049 O\n0.557049 0.428431 0.786293 O\n0.708877 0.083297 0.940023 O\n0.993322 0.361235 0.223829 O\n0.786293 0.557049 0.428431 O\n0.490121 0.721167 0.864624 O\n0.940023 0.708877 0.083297 O\n0.721167 0.864624 0.490121 O\n0.864624 0.490121 0.721167 O\n",
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{
"id": "mp-705844",
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"structure_string": "Mo5 O12 F3\n1.0\n-5.599996 0.000000 0.000000\n-0.084883 -6.790436 0.000000\n2.757948 1.955726 7.885573\nMo O F\n5 12 3\ndirect\n0.950679 0.987302 0.996048 Mo\n0.370655 0.613814 0.804175 Mo\n0.841929 0.194245 0.599227 Mo\n0.254724 0.813662 0.406811 Mo\n0.600354 0.400906 0.198801 Mo\n0.686728 0.800737 0.899986 O\n0.181638 0.793894 0.896133 O\n0.093470 0.395660 0.696069 O\n0.897062 0.098312 0.797943 O\n0.511293 0.005349 0.499090 O\n0.012463 0.006100 0.501355 O\n0.296664 0.705366 0.593509 O\n0.698968 0.300877 0.398501 O\n0.408741 0.612305 0.303746 O\n0.793271 0.191107 0.095413 O\n0.098861 0.901429 0.198788 O\n0.498167 0.495962 0.003076 O\n0.597857 0.403539 0.700283 F\n0.909801 0.601821 0.298790 F\n0.289044 0.197957 0.098693 F\n",
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]
}