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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy_per_atom&page=10245",
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"results": [
{
"id": "mp-1221526",
"created_at": "2022-09-04T14:40:55.222569Z",
"structure_string": "Na2 Ca1 Mn3 Si6 O18\n1.0\n-6.624580 0.000000 0.000000\n-0.090715 -7.204389 0.000000\n0.531931 1.422061 7.436099\nNa Ca Mn Si O\n2 1 3 6 18\ndirect\n0.128783 0.234523 0.920272 Na\n0.867630 0.754300 0.080652 Na\n0.647430 0.092491 0.350499 Ca\n0.361651 0.422969 0.651640 Mn\n0.627076 0.578175 0.351186 Mn\n0.351384 0.922282 0.646621 Mn\n0.160600 0.091818 0.286948 Si\n0.847076 0.903854 0.725324 Si\n0.139520 0.534510 0.288643 Si\n0.855583 0.471021 0.705047 Si\n0.353037 0.756753 0.044060 Si\n0.644841 0.243507 0.951394 Si\n0.145320 0.304091 0.233956 O\n0.872169 0.697683 0.780904 O\n0.442051 0.212605 0.814722 O\n0.558681 0.745665 0.176685 O\n0.266486 0.973923 0.102426 O\n0.783076 0.045022 0.914341 O\n0.187838 0.604819 0.095878 O\n0.790430 0.401678 0.889191 O\n0.949312 0.001698 0.300223 O\n0.069438 0.970417 0.685100 O\n0.382023 0.721305 0.826585 O\n0.609679 0.309086 0.162059 O\n0.919201 0.610355 0.346059 O\n0.064730 0.377125 0.648773 O\n0.647282 0.894718 0.579804 O\n0.329581 0.093795 0.457562 O\n0.663196 0.424028 0.548742 O\n0.334895 0.605783 0.434704 O\n",
"nsites": 30,
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"elements": [
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"Ca",
"Mn",
"Si",
"O"
],
"chemical_system": "Ca-Mn-Na-O-Si",
"density": 3.3097671879727817,
"density_atomic": 0.08453189172245643,
"volume": 354.8956422092032,
"volume_molar": 7.124105041648064,
"formula_full": "Na2 Ca1 Mn3 Si6 O18",
"formula_reduced": "Na2CaMn3(SiO3)6",
"formula_anonymous": "AB2C3D6E18",
"energy": -239.41380953,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:00.382000Z",
"spacegroup": 1
},
{
"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": [
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"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,
"energy_per_atom": -7.9805238350000005,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy_per_atom": null,
"energy_uncorrected": -298.67800107,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:49.179000Z",
"spacegroup": 8
},
{
"id": "mp-1234401",
"created_at": "2022-09-04T14:47:40.121826Z",
"structure_string": "Mg1 Mn2 Fe2 P4 O16\n1.0\n10.237906 0.043576 0.131816\n0.026059 6.048711 -0.011973\n0.064117 -0.009494 4.890609\nMg Mn Fe P O\n1 2 2 4 16\ndirect\n0.998450 0.493949 0.005403 Mg\n0.233174 0.762443 0.485106 Mn\n0.293962 0.255507 0.947909 Mn\n0.711502 0.752554 0.034055 Fe\n0.766302 0.242176 0.520742 Fe\n0.096586 0.251681 0.419181 P\n0.408035 0.751738 0.911797 P\n0.596970 0.252859 0.076630 P\n0.899072 0.741916 0.594111 P\n0.042341 0.737172 0.687352 O\n0.107784 0.275777 0.733238 O\n0.172038 0.048597 0.301795 O\n0.159185 0.455283 0.259132 O\n0.330656 0.559768 0.763120 O\n0.334659 0.952624 0.775803 O\n0.389125 0.744451 0.217995 O\n0.452541 0.254197 0.170430 O\n0.553688 0.746979 0.826822 O\n0.610261 0.252770 0.767700 O\n0.670682 0.046262 0.205808 O\n0.670989 0.454732 0.210044 O\n0.836824 0.539123 0.758066 O\n0.819505 0.936093 0.723317 O\n0.886466 0.723067 0.279771 O\n0.952950 0.257870 0.323928 O\n",
"nsites": 25,
"nelements": 5,
"elements": [
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"Mn",
"Fe",
"P",
"O"
],
"chemical_system": "Fe-Mg-Mn-O-P",
"density": 3.431631306229997,
"density_atomic": 0.0825631276491807,
"volume": 302.7986064945068,
"volume_molar": 7.293983320967081,
"formula_full": "Mg1 Mn2 Fe2 P4 O16",
"formula_reduced": "MgMn2Fe2(PO4)4",
"formula_anonymous": "AB2C2D4E16",
"energy": -199.52058703,
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"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -180.68058703,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 18.0171823,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:12.766000Z",
"spacegroup": 1
},
{
"id": "mp-20678",
"created_at": "2022-09-04T14:47:56.324841Z",
"structure_string": "Na2 In2 W4 O16\n1.0\n5.929688 0.000000 0.000000\n0.000000 5.166265 0.000000\n0.000000 0.276095 10.242280\nNa In W O\n2 2 4 16\ndirect\n0.679922 0.750000 0.000000 Na\n0.320078 0.250000 0.000000 Na\n0.320592 0.250000 0.500000 In\n0.679408 0.750000 0.500000 In\n0.828757 0.249360 0.743160 W\n0.171243 0.749360 0.743160 W\n0.171243 0.750640 0.256840 W\n0.828757 0.250640 0.256840 W\n0.904826 0.559915 0.832770 O\n0.366814 0.622181 0.858498 O\n0.893684 0.555911 0.367096 O\n0.904826 0.940085 0.167230 O\n0.106316 0.055911 0.367096 O\n0.095174 0.059915 0.832770 O\n0.625957 0.104526 0.384211 O\n0.625957 0.395474 0.615789 O\n0.633186 0.377819 0.141502 O\n0.374043 0.895474 0.615789 O\n0.366814 0.877819 0.141502 O\n0.095174 0.440085 0.167230 O\n0.893684 0.944089 0.632904 O\n0.633186 0.122181 0.858498 O\n0.374043 0.604526 0.384211 O\n0.106316 0.444089 0.632904 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Na",
"In",
"W",
"O"
],
"chemical_system": "In-Na-O-W",
"density": 6.705155752816494,
"density_atomic": 0.07649024911473107,
"volume": 313.7654835455085,
"volume_molar": 7.873082948085483,
"formula_full": "Na2 In2 W4 O16",
"formula_reduced": "NaIn(WO4)2",
"formula_anonymous": "ABC2D8",
"energy": -191.5401427,
"energy_per_atom": -7.980839279166666,
"energy_above_hull": null,
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"energy_uncorrected": -162.7961427,
"band_gap": 3.4845,
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"updated_at": "2021-11-28T01:38:21.488000Z",
"spacegroup": 13
},
{
"id": "mp-23614",
"created_at": "2022-09-04T14:47:08.366664Z",
"structure_string": "Sr2 Nb4 Bi4 O18\n1.0\n2.823807 -12.702356 0.000000\n2.823807 12.702356 0.000000\n0.000000 0.000000 5.688484\nSr Nb Bi O\n2 4 4 18\ndirect\n0.251597 0.251597 0.016577 Sr\n0.748403 0.748403 0.516577 Sr\n0.833973 0.668603 0.024679 Nb\n0.331397 0.166027 0.524679 Nb\n0.668603 0.833973 0.024679 Nb\n0.166027 0.331397 0.524679 Nb\n0.486477 0.085965 0.934409 Bi\n0.513523 0.914035 0.434409 Bi\n0.914035 0.513523 0.434409 Bi\n0.085965 0.486477 0.934409 Bi\n0.541138 0.410509 0.283963 O\n0.458862 0.589491 0.783963 O\n0.589491 0.458862 0.783963 O\n0.410509 0.541138 0.283963 O\n0.057313 0.884776 0.330940 O\n0.942687 0.115224 0.830940 O\n0.115224 0.942687 0.830940 O\n0.884776 0.057313 0.330940 O\n0.227736 0.729059 0.225592 O\n0.772264 0.270941 0.725592 O\n0.193543 0.193543 0.565967 O\n0.806457 0.806457 0.065967 O\n0.486172 0.175987 0.562145 O\n0.513828 0.824013 0.062145 O\n0.824013 0.513828 0.062145 O\n0.175987 0.486172 0.562145 O\n0.729059 0.227736 0.225592 O\n0.270941 0.772264 0.725592 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Sr",
"Nb",
"Bi",
"O"
],
"chemical_system": "Bi-Nb-O-Sr",
"density": 6.798632743194401,
"density_atomic": 0.06861391561605873,
"volume": 408.08048554871783,
"volume_molar": 8.776850447798303,
"formula_full": "Sr2 Nb4 Bi4 O18",
"formula_reduced": "SrNb2Bi2O9",
"formula_anonymous": "AB2C2D9",
"energy": -223.46354049,
"energy_per_atom": -7.980840731785714,
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"updated_at": "2021-11-28T01:37:58.405000Z",
"spacegroup": 36
},
{
"id": "mp-557773",
"created_at": "2022-09-04T14:42:49.600055Z",
"structure_string": "Sc6 Te3 O18\n1.0\n4.423567 -7.661844 0.000000\n4.423567 7.661844 0.000000\n0.000000 0.000000 4.864801\nSc Te O\n6 3 18\ndirect\n0.292741 0.000000 0.500000 Sc\n0.628622 0.000000 0.000000 Sc\n0.707259 0.707259 0.500000 Sc\n0.000000 0.628622 0.000000 Sc\n0.371378 0.371378 0.000000 Sc\n0.000000 0.292741 0.500000 Sc\n0.000000 0.000000 0.000000 Te\n0.666667 0.333333 0.496574 Te\n0.333333 0.666667 0.503426 Te\n0.879499 0.090003 0.219291 O\n0.457283 0.580702 0.727742 O\n0.222362 0.767222 0.280166 O\n0.767222 0.222362 0.719834 O\n0.544860 0.777638 0.280166 O\n0.232778 0.455140 0.280166 O\n0.123419 0.542717 0.727742 O\n0.580702 0.457283 0.272258 O\n0.542717 0.123419 0.272258 O\n0.876581 0.419298 0.272258 O\n0.455140 0.232778 0.719834 O\n0.210503 0.120501 0.219291 O\n0.909997 0.789497 0.219291 O\n0.120501 0.210503 0.780709 O\n0.789497 0.909997 0.780709 O\n0.090003 0.879499 0.780709 O\n0.419298 0.876581 0.727742 O\n0.777638 0.544860 0.719834 O\n",
"nsites": 27,
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"elements": [
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"Te",
"O"
],
"chemical_system": "O-Sc-Te",
"density": 4.736072040981543,
"density_atomic": 0.08187716071248237,
"volume": 329.7622898137916,
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"formula_full": "Sc6 Te3 O18",
"formula_reduced": "Sc2TeO6",
"formula_anonymous": "AB2C6",
"energy": -215.48304638,
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"total_magnetization": 3.18e-05,
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"updated_at": "2021-11-28T01:35:51.001000Z",
"spacegroup": 150
},
{
"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",
"O"
],
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"density": 3.9473103144562547,
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"volume": 594.6376962754468,
"volume_molar": 8.526171209935402,
"formula_full": "Mn14 Fe2 Cl6 O20",
"formula_reduced": "Mn7FeCl3O10",
"formula_anonymous": "AB3C7D10",
"energy": -335.19728177,
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"updated_at": "2021-11-28T01:35:57.774000Z",
"spacegroup": 225
},
{
"id": "mp-1228132",
"created_at": "2022-09-04T14:41:25.354694Z",
"structure_string": "Ba6 Nd2 Y1 Mo3 O18\n1.0\n4.329001 9.551604 0.000000\n-4.329001 9.551604 0.000000\n0.000000 1.923614 5.779082\nBa Nd Y Mo O\n6 2 1 3 18\ndirect\n0.916358 0.415743 0.334074 Ba\n0.250205 0.749795 0.000000 Ba\n0.584257 0.083642 0.665926 Ba\n0.749795 0.250205 0.000000 Ba\n0.083642 0.584257 0.665926 Ba\n0.415743 0.916358 0.334074 Ba\n0.166681 0.166681 0.833444 Nd\n0.833319 0.833319 0.166556 Nd\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.500000 Mo\n0.334982 0.334982 0.164155 Mo\n0.665018 0.665018 0.835845 Mo\n0.899643 0.431968 0.833591 O\n0.231219 0.768781 0.500000 O\n0.568032 0.100357 0.166409 O\n0.768781 0.231219 0.500000 O\n0.100357 0.568032 0.166409 O\n0.431968 0.899643 0.833591 O\n0.751442 0.751442 0.547082 O\n0.422440 0.422440 0.867828 O\n0.089929 0.089929 0.212262 O\n0.910071 0.910071 0.787738 O\n0.577560 0.577560 0.132172 O\n0.248558 0.248558 0.452918 O\n0.067077 0.067077 0.698407 O\n0.729613 0.729613 0.033062 O\n0.402412 0.402412 0.362848 O\n0.932923 0.932923 0.301593 O\n0.597588 0.597588 0.637152 O\n0.270387 0.270387 0.966938 O\n",
"nsites": 30,
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"elements": [
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"Y",
"Mo",
"O"
],
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"density": 6.174802003726048,
"density_atomic": 0.06277235286765737,
"volume": 477.9174051871028,
"volume_molar": 9.593619618968958,
"formula_full": "Ba6 Nd2 Y1 Mo3 O18",
"formula_reduced": "Ba6Nd2Y(MoO6)3",
"formula_anonymous": "AB2C3D6E18",
"energy": -239.42692079,
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