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{
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"results": [
{
"id": "jvasp-37191",
"created_at": "2022-09-04T14:35:47.499392Z",
"updated_at": "2022-09-04T14:35:47.499419Z",
"structure_string": "Mn2 Sn1 Ru1\n1.0\n3.085394 3.085394 -0.000000\n3.085394 0.000000 -3.085394\n-0.000000 3.085394 -3.085394\nMn Sn Ru\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.749999 0.749999 0.749999 Mn\n0.250000 0.250000 0.250000 Sn\n0.499999 0.499999 0.499999 Ru\n",
"nsites": 4,
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"elements": [
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"Sn",
"Ru"
],
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"density": 9.318549426790568,
"density_atomic": 0.06809231565725744,
"volume": 58.743779843440684,
"volume_molar": 8.844082774791264,
"formula_full": "Mn2 Sn1 Ru1",
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{
"id": "jvasp-20609",
"created_at": "2022-09-04T14:38:08.475859Z",
"updated_at": "2022-09-04T14:38:08.475887Z",
"structure_string": "Ti1 Re1\n1.0\n3.117650 0.000000 -0.000000\n0.000000 3.117650 -0.000000\n0.000000 0.000000 3.117650\nTi Re\n1 1\ndirect\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Re\n",
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"formula_full": "Ti1 Re1",
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},
{
"id": "jvasp-74323",
"created_at": "2022-09-04T14:35:58.862347Z",
"updated_at": "2022-09-04T14:35:58.862363Z",
"structure_string": "Zr1 Be2 Nb1\n1.0\n2.879673 0.000000 -0.000000\n0.000000 2.879673 0.000000\n0.000000 0.000000 7.062996\nZr Be Nb\n1 2 1\ndirect\n0.499999 0.499999 0.500000 Zr\n0.000000 0.000000 0.761981 Be\n0.000000 0.000000 0.238020 Be\n0.499999 0.499999 0.000000 Nb\n",
"nsites": 4,
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"elements": [
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"Be",
"Nb"
],
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"density": 5.731360493340301,
"density_atomic": 0.06829433525265377,
"volume": 58.57001148341317,
"volume_molar": 8.817921336698262,
"formula_full": "Zr1 Be2 Nb1",
"formula_reduced": "ZrBe2Nb",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.3646615250000007,
"spacegroup": 123
},
{
"id": "jvasp-72530",
"created_at": "2022-09-04T14:36:19.823569Z",
"updated_at": "2022-09-04T14:36:19.823596Z",
"structure_string": "Zr1 Be2 Nb1\n1.0\n-2.046416 2.046416 3.508847\n2.046416 -2.046416 3.508847\n2.046416 2.046416 -3.508847\nZr Be Nb\n1 2 1\ndirect\n0.750001 0.250000 0.500001 Zr\n0.000000 0.000000 0.000000 Be\n0.500000 0.500000 0.000000 Be\n0.250000 0.750001 0.500001 Nb\n",
"nsites": 4,
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"elements": [
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"Be",
"Nb"
],
"chemical_system": "Be-Nb-Zr",
"density": 5.711113175858143,
"density_atomic": 0.0680530701830948,
"volume": 58.777656749917625,
"volume_molar": 8.849183062274202,
"formula_full": "Zr1 Be2 Nb1",
"formula_reduced": "ZrBe2Nb",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.3645990250000004,
"spacegroup": 139
},
{
"id": "jvasp-68021",
"created_at": "2022-09-04T14:36:09.590329Z",
"updated_at": "2022-09-04T14:36:09.590359Z",
"structure_string": "Be1 Ga1 Mo2\n1.0\n-1.884227 1.884227 3.936018\n1.884227 -1.884227 3.936018\n1.884227 1.884227 -3.936018\nBe Ga Mo\n1 1 2\ndirect\n0.500000 0.500000 0.000000 Be\n0.750001 0.250000 0.500001 Ga\n0.000000 0.000000 0.000000 Mo\n0.250000 0.750001 0.500001 Mo\n",
"nsites": 4,
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"elements": [
"Be",
"Ga",
"Mo"
],
"chemical_system": "Be-Ga-Mo",
"density": 8.039290875810309,
"density_atomic": 0.07156101283547958,
"volume": 55.896358107676484,
"volume_molar": 8.415393412394875,
"formula_full": "Be1 Ga1 Mo2",
"formula_reduced": "BeGaMo2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.36457255625,
"spacegroup": 119
},
{
"id": "jvasp-42678",
"created_at": "2022-09-04T14:36:31.020423Z",
"updated_at": "2022-09-04T14:36:31.020446Z",
"structure_string": "Mn8 O13 F3\n1.0\n6.606774 -0.015166 -0.017523\n-0.681801 6.553525 -0.025891\n-2.838161 -3.131239 5.474357\nMn O F\n8 13 3\ndirect\n0.549180 0.302517 0.851578 Mn\n0.937635 0.200029 0.146621 Mn\n0.448659 0.679224 0.643632 Mn\n0.051311 0.800313 0.351529 Mn\n0.950903 0.195056 0.647985 Mn\n0.567886 0.306697 0.362332 Mn\n0.037156 0.785168 0.834408 Mn\n0.428609 0.701203 0.143915 Mn\n0.022334 0.100841 0.385699 O\n0.520606 0.598795 0.384954 O\n0.148205 0.736781 0.115159 O\n0.286282 0.370365 0.887948 O\n0.344919 0.768225 0.881488 O\n0.616719 0.037577 0.386384 O\n0.786986 0.864077 0.883328 O\n0.882900 0.459215 0.613315 O\n0.652733 0.235927 0.118317 O\n0.849485 0.272775 0.887704 O\n0.480384 0.396347 0.612576 O\n0.988858 0.902771 0.618106 O\n0.120016 0.535934 0.384655 O\n0.398167 0.959510 0.619056 F\n0.709122 0.649890 0.120075 F\n0.220950 0.140754 0.119251 F\n",
"nsites": 24,
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"elements": [
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"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.955459321540931,
"density_atomic": 0.10166468888752739,
"volume": 236.07016617688595,
"volume_molar": 5.923532374807492,
"formula_full": "Mn8 O13 F3",
"formula_reduced": "Mn8O13F3",
"formula_anonymous": "A3B8C13",
"energy_above_hull": 3.364562261605604,
"spacegroup": 1
},
{
"id": "jvasp-43751",
"created_at": "2022-09-04T14:37:51.449649Z",
"updated_at": "2022-09-04T14:37:51.449674Z",
"structure_string": "Mn8 O13 F3\n1.0\n5.428953 0.011840 0.002139\n-0.023201 6.505045 0.006205\n-0.097521 -0.666368 6.510738\nMn O F\n8 13 3\ndirect\n0.646885 0.374415 0.115271 Mn\n0.318241 0.127798 0.378081 Mn\n0.851810 0.874334 0.123058 Mn\n0.870855 0.381513 0.640832 Mn\n0.143866 0.138860 0.872777 Mn\n0.144225 0.625498 0.374893 Mn\n0.377366 0.611963 0.868947 Mn\n0.645241 0.876115 0.640000 Mn\n0.621380 0.823377 0.904371 O\n0.386074 0.670579 0.593423 O\n0.626265 0.418422 0.838859 O\n0.109478 0.905884 0.321912 O\n0.882771 0.654333 0.577080 O\n0.125515 0.412309 0.829499 O\n0.377591 0.081497 0.656702 O\n0.882144 0.091037 0.670741 O\n0.104187 0.344558 0.426081 O\n0.388964 0.576560 0.154876 O\n0.379508 0.172215 0.095498 O\n0.880079 0.157086 0.072211 O\n0.881798 0.593049 0.171878 O\n0.603573 0.924606 0.350475 F\n0.617621 0.327039 0.413989 F\n0.134563 0.836964 0.908545 F\n",
"nsites": 24,
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"elements": [
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"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 5.087214246296895,
"density_atomic": 0.10436773265513304,
"volume": 229.9561309749276,
"volume_molar": 5.770117455650042,
"formula_full": "Mn8 O13 F3",
"formula_reduced": "Mn8O13F3",
"formula_anonymous": "A3B8C13",
"energy_above_hull": 3.3645214282722704,
"spacegroup": 1
},
{
"id": "jvasp-9157",
"created_at": "2022-09-04T14:37:36.314708Z",
"updated_at": "2022-09-04T14:37:36.314735Z",
"structure_string": "Mn2 P8\n1.0\n-5.144923 -0.003441 0.000480\n-0.388656 -5.853494 0.004766\n2.570176 1.928472 4.940359\nMn P\n2 8\ndirect\n0.001310 0.724092 0.215971 Mn\n0.998690 0.275908 0.784030 Mn\n0.443809 0.197270 0.044004 P\n0.556191 0.802730 0.955997 P\n0.448885 0.695298 0.510753 P\n0.551115 0.304702 0.489249 P\n0.126826 0.668327 0.882265 P\n0.873174 0.331672 0.117736 P\n0.879664 0.848318 0.578598 P\n0.120336 0.151682 0.421403 P\n",
"nsites": 10,
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"elements": [
"Mn",
"P"
],
"chemical_system": "Mn-P",
"density": 3.9905778351895838,
"density_atomic": 0.06719064419903713,
"volume": 148.83024443666972,
"volume_molar": 8.96276681342832,
"formula_full": "Mn2 P8",
"formula_reduced": "MnP4",
"formula_anonymous": "AB4",
"energy_above_hull": 3.364397848275862,
"spacegroup": 2
},
{
"id": "jvasp-18175",
"created_at": "2022-09-04T14:38:10.156170Z",
"updated_at": "2022-09-04T14:38:10.156195Z",
"structure_string": "V6 Sn2\n1.0\n2.821113 -4.886311 0.000000\n2.821113 4.886311 0.000000\n-0.000000 -0.000000 4.524506\nV Sn\n6 2\ndirect\n0.148791 0.297581 0.750001 V\n0.851209 0.148790 0.250000 V\n0.851209 0.702418 0.250000 V\n0.148790 0.851209 0.750001 V\n0.702418 0.851209 0.750001 V\n0.297581 0.148791 0.250000 V\n0.666666 0.333333 0.750001 Sn\n0.333333 0.666666 0.250000 Sn\n",
"nsites": 8,
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"elements": [
"V",
"Sn"
],
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"density": 7.229385082885535,
"density_atomic": 0.06413383874598064,
"volume": 124.73914171403581,
"volume_molar": 9.389958371043893,
"formula_full": "V6 Sn2",
"formula_reduced": "V3Sn",
"formula_anonymous": "AB3",
"energy_above_hull": 3.364053575,
"spacegroup": 194
},
{
"id": "jvasp-42344",
"created_at": "2022-09-04T14:36:13.994385Z",
"updated_at": "2022-09-04T14:36:13.994413Z",
"structure_string": "Mn8 O13 F3\n1.0\n4.390630 0.011690 -0.017129\n-0.073122 5.413798 -0.001085\n-0.047671 -0.007978 9.776934\nMn O F\n8 13 3\ndirect\n0.997085 0.158080 0.372752 Mn\n0.010081 0.857130 0.625055 Mn\n0.003832 0.155498 0.874498 Mn\n0.982400 0.863510 0.119966 Mn\n0.504333 0.338753 0.121337 Mn\n0.502697 0.354298 0.627744 Mn\n0.474333 0.632021 0.881543 Mn\n0.538944 0.633432 0.379805 Mn\n0.228855 0.116261 0.207749 O\n0.213956 0.878675 0.956640 O\n0.234526 0.118250 0.711999 O\n0.278430 0.388501 0.459024 O\n0.272890 0.611632 0.709496 O\n0.250567 0.382293 0.962014 O\n0.730175 0.388837 0.794867 O\n0.737136 0.382818 0.286802 O\n0.747611 0.613634 0.540361 O\n0.776427 0.881725 0.290698 O\n0.762054 0.113321 0.035710 O\n0.776779 0.117278 0.539433 O\n0.713480 0.618192 0.042438 O\n0.259372 0.620273 0.212907 F\n0.732434 0.887956 0.798082 F\n0.271610 0.887635 0.449078 F\n",
"nsites": 24,
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"elements": [
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],
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"formula_full": "Mn8 O13 F3",
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},
{
"id": "jvasp-80917",
"created_at": "2022-09-04T14:36:47.459386Z",
"updated_at": "2022-09-04T14:36:47.459413Z",
"structure_string": "Hf2 Mn1 Zn1\n1.0\n-10.720039 2.591820 -1.956785\n-7.834959 0.569156 0.944936\n-6.524655 4.275248 -1.324572\nHf Mn Zn\n2 1 1\ndirect\n0.749250 0.000319 0.000319 Hf\n0.250748 0.999682 0.999683 Hf\n0.000000 0.000000 0.000000 Mn\n0.500001 -0.000001 -0.000001 Zn\n",
"nsites": 4,
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],
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"volume": 66.79015133135357,
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"formula_full": "Hf2 Mn1 Zn1",
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"spacegroup": 225
},
{
"id": "jvasp-42662",
"created_at": "2022-09-04T14:38:07.183970Z",
"updated_at": "2022-09-04T14:38:07.184000Z",
"structure_string": "Mn8 O13 F3\n1.0\n4.879947 0.002648 -0.008752\n0.032937 5.446930 -0.002649\n0.060244 0.111986 8.787662\nMn O F\n8 13 3\ndirect\n0.750204 0.169099 0.006185 Mn\n0.268145 0.860198 0.004344 Mn\n0.264914 0.357663 0.247316 Mn\n0.747854 0.663267 0.247530 Mn\n0.246862 0.852620 0.498254 Mn\n0.746598 0.108585 0.501066 Mn\n0.229149 0.357530 0.754305 Mn\n0.743794 0.646838 0.748867 Mn\n0.425346 0.122485 0.883797 O\n0.414311 0.618274 0.864098 O\n0.913346 0.391631 0.864751 O\n0.076184 0.608608 0.630283 O\n0.573114 0.874646 0.614301 O\n0.071296 0.104903 0.617262 O\n0.084419 0.620856 0.135721 O\n0.421828 0.106863 0.382545 O\n0.419046 0.616777 0.367531 O\n0.588650 0.395110 0.137782 O\n0.589217 0.893707 0.113788 O\n0.086827 0.123642 0.117262 O\n0.924290 0.878229 0.383374 O\n0.565150 0.359824 0.622209 F\n0.917385 0.371858 0.374399 F\n0.932076 0.896798 0.883027 F\n",
"nsites": 24,
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"elements": [
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],
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"formula_full": "Mn8 O13 F3",
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"spacegroup": 1
}
]
}