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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy_per_atom&page=1748",
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"results": [
{
"id": "mp-755221",
"created_at": "2022-09-04T14:47:27.753750Z",
"structure_string": "Li2 V5 Co1 O12\n1.0\n6.913599 -0.232982 -0.065388\n-0.967888 6.849476 0.065388\n-1.540093 1.383958 5.311118\nLi V Co O\n2 5 1 12\ndirect\n0.271161 0.271161 0.250000 Li\n0.744897 0.744897 0.750000 Li\n0.920526 0.920526 0.250000 V\n0.195448 0.613346 0.757833 V\n0.389371 0.818206 0.241867 V\n0.613346 0.195448 0.742167 V\n0.818206 0.389371 0.258133 V\n0.088713 0.088713 0.750000 Co\n0.022447 0.798185 0.650150 O\n0.064868 0.379778 0.743264 O\n0.192494 0.996963 0.148229 O\n0.373502 0.668835 0.577812 O\n0.379778 0.064868 0.756736 O\n0.316100 0.595432 0.080500 O\n0.668835 0.373502 0.922188 O\n0.654540 0.895188 0.320068 O\n0.595432 0.316100 0.419500 O\n0.798185 0.022447 0.849850 O\n0.895188 0.654540 0.179932 O\n0.996963 0.192494 0.351771 O\n",
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"elements": [
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"O"
],
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"volume": 249.10348184359907,
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"formula_full": "Li2 V5 Co1 O12",
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"energy": -161.50907805,
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"updated_at": "2021-11-28T01:38:14.786000Z",
"spacegroup": 5
},
{
"id": "mp-1041130",
"created_at": "2022-09-04T14:44:04.636745Z",
"structure_string": "Ho2 V4 Zn2 O12\n1.0\n5.441168 0.000000 0.000000\n0.000000 5.267807 0.000000\n0.000000 5.216480 7.624135\nHo V Zn O\n2 4 2 12\ndirect\n0.181089 0.733475 0.251084 Ho\n0.818911 0.733475 0.751084 Ho\n0.737804 0.002138 0.997420 V\n0.731588 0.499929 0.501514 V\n0.262196 0.002138 0.497420 V\n0.268412 0.499929 0.001514 V\n0.732932 0.253163 0.249829 Zn\n0.267068 0.253163 0.749829 Zn\n0.697288 0.140537 0.748104 O\n0.443066 0.745798 0.063111 O\n0.455970 0.382015 0.440587 O\n0.952606 0.616070 0.059415 O\n0.942596 0.250464 0.438017 O\n0.211947 0.876426 0.750931 O\n0.302712 0.140537 0.248104 O\n0.556934 0.745798 0.563111 O\n0.544030 0.382015 0.940587 O\n0.057404 0.250464 0.938017 O\n0.047394 0.616070 0.559415 O\n0.788053 0.876426 0.250931 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ho",
"V",
"Zn",
"O"
],
"chemical_system": "Ho-O-V-Zn",
"density": 6.507769678178,
"density_atomic": 0.09152029843345308,
"volume": 218.53075593435207,
"volume_molar": 6.580114863129367,
"formula_full": "Ho2 V4 Zn2 O12",
"formula_reduced": "HoV2ZnO6",
"formula_anonymous": "ABC2D6",
"energy": -161.50906269,
"energy_per_atom": -8.0754531345,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -146.46506269,
"band_gap": 1.0043999999999995,
"is_gap_direct": false,
"is_magnetic": true,
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"updated_at": "2021-11-28T01:36:30.003000Z",
"spacegroup": 7
},
{
"id": "mp-1043529",
"created_at": "2022-09-04T14:46:11.977363Z",
"structure_string": "Mg2 Mn6 P8 O28\n1.0\n7.632829 0.000000 0.000000\n0.000000 7.538930 0.000000\n0.000000 3.704383 9.014519\nMg Mn P O\n2 6 8 28\ndirect\n0.000000 0.500000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.120960 0.806804 0.527242 Mn\n0.620960 0.193196 0.972758 Mn\n0.879040 0.193196 0.472758 Mn\n0.379040 0.806804 0.027242 Mn\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.918700 0.407632 0.706281 P\n0.418700 0.592368 0.793719 P\n0.081300 0.592368 0.293719 P\n0.581300 0.407632 0.206281 P\n0.208953 0.141859 0.684758 P\n0.708953 0.858141 0.815242 P\n0.791047 0.858141 0.315242 P\n0.291047 0.141859 0.184758 P\n0.380997 0.212196 0.599897 O\n0.880997 0.787804 0.900103 O\n0.619003 0.787804 0.400103 O\n0.119003 0.212196 0.099897 O\n0.380965 0.719370 0.627875 O\n0.880965 0.280630 0.872125 O\n0.619035 0.280630 0.372125 O\n0.119035 0.719370 0.127875 O\n0.781434 0.385224 0.599889 O\n0.281434 0.614776 0.900111 O\n0.218566 0.614776 0.400111 O\n0.718566 0.385224 0.099889 O\n0.104086 0.334905 0.666339 O\n0.604086 0.665095 0.833661 O\n0.895914 0.665095 0.333661 O\n0.395914 0.334905 0.166339 O\n0.537036 0.608259 0.196641 O\n0.037036 0.391741 0.303359 O\n0.462964 0.391741 0.803359 O\n0.962964 0.608259 0.696641 O\n0.779890 0.972537 0.147946 O\n0.279890 0.027463 0.352054 O\n0.220110 0.027463 0.852054 O\n0.720110 0.972537 0.647946 O\n0.404483 0.038193 0.108460 O\n0.904483 0.961807 0.391540 O\n0.595517 0.961807 0.891540 O\n0.095517 0.038193 0.608460 O\n",
"nsites": 44,
"nelements": 4,
"elements": [
"Mg",
"Mn",
"P",
"O"
],
"chemical_system": "Mg-Mn-O-P",
"density": 3.4381138478737707,
"density_atomic": 0.08482324333833786,
"volume": 518.7257438918651,
"volume_molar": 7.099635103528459,
"formula_full": "Mg2 Mn6 P8 O28",
"formula_reduced": "MgMn3(P2O7)2",
"formula_anonymous": "AB3C4D14",
"energy": -355.31819104,
"energy_per_atom": -8.075413432727272,
"energy_above_hull": null,
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"energy_uncorrected": -326.07419104,
"band_gap": 3.4299,
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"updated_at": "2021-11-28T01:37:29.307000Z",
"spacegroup": 14
},
{
"id": "mp-1196975",
"created_at": "2022-09-04T14:47:21.607877Z",
"structure_string": "Ho4 Fe34\n1.0\n4.240995 -7.345619 0.000000\n4.240995 7.345619 0.000000\n0.000000 0.000000 8.241864\nHo Fe\n4 34\ndirect\n0.000000 0.000000 0.250000 Ho\n0.000000 0.000000 0.750000 Ho\n0.333333 0.666667 0.750000 Ho\n0.666667 0.333333 0.250000 Ho\n0.333333 0.666667 0.393631 Fe\n0.666667 0.333333 0.606369 Fe\n0.666667 0.333333 0.893631 Fe\n0.333333 0.666667 0.106369 Fe\n0.500000 0.500000 0.500000 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.500000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.500000 0.000000 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.328935 0.367900 0.250000 Fe\n0.632100 0.961035 0.250000 Fe\n0.038965 0.671065 0.250000 Fe\n0.632100 0.671065 0.250000 Fe\n0.038965 0.367900 0.250000 Fe\n0.328935 0.961035 0.250000 Fe\n0.671065 0.632100 0.750000 Fe\n0.367900 0.038965 0.750000 Fe\n0.961035 0.328935 0.750000 Fe\n0.367900 0.328935 0.750000 Fe\n0.961035 0.632100 0.750000 Fe\n0.671065 0.038965 0.750000 Fe\n0.166027 0.833973 0.515689 Fe\n0.166027 0.332055 0.515689 Fe\n0.667945 0.833973 0.515689 Fe\n0.833973 0.166027 0.484311 Fe\n0.833973 0.667945 0.484311 Fe\n0.332055 0.166027 0.484311 Fe\n0.833973 0.166027 0.015689 Fe\n0.833973 0.667945 0.015689 Fe\n0.332055 0.166027 0.015689 Fe\n0.166027 0.833973 0.984311 Fe\n0.166027 0.332055 0.984311 Fe\n0.667945 0.833973 0.984311 Fe\n",
"nsites": 38,
"nelements": 2,
"elements": [
"Ho",
"Fe"
],
"chemical_system": "Fe-Ho",
"density": 8.273221462143338,
"density_atomic": 0.07400004738937674,
"volume": 513.5131846612194,
"volume_molar": 8.138022842488779,
"formula_full": "Ho4 Fe34",
"formula_reduced": "Ho2Fe17",
"formula_anonymous": "A2B17",
"energy": -306.86443675,
"energy_per_atom": -8.075379914473684,
"energy_above_hull": null,
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"formation_energy": null,
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"band_gap": 0.0,
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"is_theoretical": false,
"updated_at": "2021-11-28T01:38:03.651000Z",
"spacegroup": 194
},
{
"id": "mp-1521304",
"created_at": "2022-09-04T14:43:13.731360Z",
"structure_string": "Ba4 Eu4 Dy4 Sn4 O24\n1.0\n8.465155 0.000000 0.000000\n0.000000 8.418078 0.000000\n0.000000 0.000000 8.470124\nBa Eu Dy Sn O\n4 4 4 4 24\ndirect\n-0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Ba\n0.500000 0.000000 0.500000 Ba\n-0.000000 0.500000 0.000000 Ba\n-0.000000 0.500000 0.500000 Eu\n0.500000 0.500000 0.000000 Eu\n0.500000 0.000000 0.000000 Eu\n0.000000 0.000000 0.500000 Eu\n0.750000 0.750000 0.750000 Dy\n0.250000 0.250000 0.750000 Dy\n0.250000 0.750000 0.250000 Dy\n0.750000 0.250000 0.250000 Dy\n0.250000 0.250000 0.250000 Sn\n0.750000 0.750000 0.250000 Sn\n0.750000 0.250000 0.750000 Sn\n0.250000 0.750000 0.750000 Sn\n0.009069 0.189905 0.281322 O\n0.990931 0.810095 0.281322 O\n0.990931 0.189905 0.718678 O\n0.009069 0.810095 0.718678 O\n0.308160 0.009464 0.206360 O\n0.308160 0.990536 0.793640 O\n0.691840 0.990536 0.206360 O\n0.691840 0.009464 0.793640 O\n0.231529 0.283229 0.008921 O\n0.768471 0.283229 0.991079 O\n0.231529 0.716771 0.991079 O\n0.768471 0.716771 0.008921 O\n0.490931 0.310095 0.218678 O\n0.509069 0.689905 0.218678 O\n0.509069 0.310095 0.781322 O\n0.490931 0.689905 0.781322 O\n0.191840 0.490536 0.293640 O\n0.191840 0.509464 0.706360 O\n0.808160 0.509464 0.293640 O\n0.808160 0.490536 0.706360 O\n0.268471 0.216771 0.491079 O\n0.731529 0.216771 0.508921 O\n0.268471 0.783229 0.508921 O\n0.731529 0.783229 0.491079 O\n",
"nsites": 40,
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"elements": [
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"Eu",
"Dy",
"Sn",
"O"
],
"chemical_system": "Ba-Dy-Eu-O-Sn",
"density": 7.334489985794091,
"density_atomic": 0.06627082283070632,
"volume": 603.5838743421511,
"volume_molar": 9.087167629386467,
"formula_full": "Ba4 Eu4 Dy4 Sn4 O24",
"formula_reduced": "BaEuDySnO6",
"formula_anonymous": "ABCDE6",
"energy": -323.01432753,
"energy_per_atom": -8.07535818825,
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"updated_at": "2021-11-28T01:36:06.320000Z",
"spacegroup": 48
},
{
"id": "mp-1224604",
"created_at": "2022-09-04T14:40:06.428812Z",
"structure_string": "K2 Na4 Li2 Ti4 Mn3 Fe1 Si16 O48\n1.0\n10.117259 0.000000 0.000000\n3.542755 9.900338 0.000000\n3.520129 1.624428 9.775165\nK Na Li Ti Mn Fe Si O\n2 4 2 4 3 1 16 48\ndirect\n0.249821 0.431555 0.568097 K\n0.750285 0.567796 0.432047 K\n0.698032 0.051422 0.472524 Na\n0.802032 0.527435 0.948470 Na\n0.301974 0.948712 0.527181 Na\n0.198208 0.472459 0.051693 Na\n0.248818 0.926970 0.075446 Li\n0.750125 0.073116 0.926412 Li\n0.379646 0.143736 0.035408 Ti\n0.119678 0.965718 0.855815 Ti\n0.619780 0.855911 0.965267 Ti\n0.880967 0.033961 0.144286 Ti\n0.402003 0.655075 0.026661 Mn\n0.903764 0.026891 0.652691 Mn\n0.598003 0.345370 0.972950 Mn\n0.097011 0.971135 0.345814 Fe\n0.107478 0.706955 0.756307 Si\n0.392415 0.244056 0.293177 Si\n0.892677 0.292578 0.244254 Si\n0.607835 0.756059 0.706750 Si\n0.935594 0.742631 0.549891 Si\n0.564047 0.450194 0.257859 Si\n0.065391 0.255786 0.448834 Si\n0.435513 0.550323 0.742392 Si\n0.081173 0.251660 0.955870 Si\n0.418566 0.044328 0.748365 Si\n0.918672 0.748481 0.044359 Si\n0.581452 0.955825 0.251863 Si\n0.418034 0.750661 0.296333 Si\n0.080988 0.703854 0.251190 Si\n0.581301 0.250514 0.703166 Si\n0.919091 0.296204 0.749008 Si\n0.019884 0.667884 0.671866 O\n0.479501 0.328733 0.332672 O\n0.980046 0.332799 0.327785 O\n0.520122 0.671870 0.667494 O\n0.905185 0.129013 0.274049 O\n0.598215 0.726730 0.869175 O\n0.097865 0.869246 0.727014 O\n0.401948 0.273176 0.130902 O\n0.261004 0.812277 0.395981 O\n0.237065 0.602379 0.193131 O\n0.736765 0.192636 0.601154 O\n0.763457 0.398539 0.806502 O\n0.063061 0.869168 0.213174 O\n0.435900 0.788202 0.131435 O\n0.936150 0.130918 0.787857 O\n0.564159 0.212228 0.868376 O\n0.256365 0.072652 0.168343 O\n0.242949 0.832159 0.927534 O\n0.743324 0.926616 0.832249 O\n0.756953 0.168226 0.073813 O\n0.240988 0.268476 0.939995 O\n0.258614 0.060302 0.731578 O\n0.758733 0.731563 0.060693 O\n0.741558 0.939440 0.268375 O\n0.069304 0.092269 0.997229 O\n0.430605 0.002657 0.907743 O\n0.930390 0.907915 0.002993 O\n0.569477 0.997174 0.092501 O\n0.773606 0.712713 0.609762 O\n0.726234 0.389165 0.288280 O\n0.226720 0.287224 0.390085 O\n0.273575 0.610223 0.711829 O\n0.920157 0.903743 0.511988 O\n0.580792 0.486703 0.096634 O\n0.081182 0.094940 0.484123 O\n0.419069 0.513784 0.903558 O\n0.035925 0.658930 0.921726 O\n0.464673 0.078534 0.341282 O\n0.963514 0.340771 0.078726 O\n0.535854 0.921641 0.658866 O\n0.965300 0.672030 0.185669 O\n0.533969 0.814792 0.329265 O\n0.034820 0.328459 0.814377 O\n0.464955 0.185605 0.671407 O\n0.017855 0.658660 0.420528 O\n0.480994 0.581023 0.341017 O\n0.983439 0.338243 0.579644 O\n0.517407 0.420198 0.659235 O\n",
"nsites": 80,
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"elements": [
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"Na",
"Li",
"Ti",
"Mn",
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"O"
],
"chemical_system": "Fe-K-Li-Mn-Na-O-Si-Ti",
"density": 3.075605519502979,
"density_atomic": 0.08170582140782158,
"volume": 979.1224006021891,
"volume_molar": 7.370516147119365,
"formula_full": "K2 Na4 Li2 Ti4 Mn3 Fe1 Si16 O48",
"formula_reduced": "K2Na4Li2Ti4Mn3Fe(SiO3)16",
"formula_anonymous": "AB2C2D3E4F4G16H48",
"energy": -646.02792316,
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"updated_at": "2021-11-28T01:34:46.680000Z",
"spacegroup": 1
},
{
"id": "mp-1042940",
"created_at": "2022-09-04T14:41:18.226618Z",
"structure_string": "Mg3 Fe4 Mo6 O24\n1.0\n7.030995 0.000000 0.000000\n-1.690903 8.296852 0.000000\n-2.657375 -3.164754 9.484564\nMg Fe Mo O\n3 4 6 24\ndirect\n0.000000 0.500000 0.500000 Mg\n0.271633 0.272853 0.786882 Mg\n0.728367 0.727147 0.213118 Mg\n0.379325 0.956714 0.605251 Fe\n0.620675 0.043286 0.394749 Fe\n0.045637 0.198103 0.010261 Fe\n0.954363 0.801897 0.989739 Fe\n0.780205 0.346638 0.731865 Mo\n0.219795 0.653362 0.268135 Mo\n0.896878 0.900106 0.665517 Mo\n0.405164 0.721385 0.877229 Mo\n0.103122 0.099894 0.334483 Mo\n0.594836 0.278615 0.122771 Mo\n0.889641 0.688502 0.567838 O\n0.110359 0.311498 0.432162 O\n0.284500 0.503548 0.763121 O\n0.715500 0.496452 0.236879 O\n0.795049 0.326551 0.556216 O\n0.204951 0.673449 0.443784 O\n0.665573 0.968321 0.581703 O\n0.334427 0.031679 0.418297 O\n0.645761 0.740628 0.012428 O\n0.354239 0.259372 0.987572 O\n0.470394 0.759008 0.266670 O\n0.529606 0.240992 0.733330 O\n0.143939 0.034990 0.657990 O\n0.071225 0.046976 0.142298 O\n0.928775 0.953024 0.857702 O\n0.559561 0.150565 0.231631 O\n0.440439 0.849435 0.768369 O\n0.171743 0.437299 0.175332 O\n0.828257 0.562701 0.824668 O\n0.987579 0.275637 0.825344 O\n0.012421 0.724363 0.174656 O\n0.236651 0.783554 0.966192 O\n0.763349 0.216446 0.033808 O\n0.856061 0.965010 0.342010 O\n",
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"formula_full": "Mg3 Fe4 Mo6 O24",
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