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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-spacegroup&page=10383",
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"results": [
{
"id": "mp-1305547",
"created_at": "2022-09-04T14:40:38.970489Z",
"structure_string": "K4 Li2 Mn4 O8\n1.0\n0.327188 6.452502 0.179020\n-0.188951 0.194393 6.646319\n6.459500 0.143977 -0.178930\nK Li Mn O\n4 2 4 8\ndirect\n0.973977 0.250001 0.973995 K\n0.015521 0.749998 0.015581 K\n0.500171 0.990272 0.010316 K\n0.009990 0.509700 0.500358 K\n0.353260 0.250024 0.353278 Li\n0.641885 0.750050 0.641806 Li\n0.817785 0.035566 0.419614 Mn\n0.207755 0.965139 0.586363 Mn\n0.586087 0.534831 0.207629 Mn\n0.419481 0.464248 0.817795 Mn\n0.310069 0.440037 0.107701 O\n0.107967 0.059852 0.310060 O\n0.880842 0.947160 0.683239 O\n0.683274 0.552885 0.880632 O\n0.671147 0.244152 0.290355 O\n0.692551 0.783857 0.337852 O\n0.290276 0.256004 0.670930 O\n0.337960 0.716225 0.692496 O\n",
"nsites": 18,
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"elements": [
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"Li",
"Mn",
"O"
],
"chemical_system": "K-Li-Mn-O",
"density": 3.1138809002642036,
"density_atomic": 0.06515934571026705,
"volume": 276.2458677844546,
"volume_molar": 9.242175000924084,
"formula_full": "K4 Li2 Mn4 O8",
"formula_reduced": "K2LiMn2O4",
"formula_anonymous": "AB2C2D4",
"energy": -116.96373802,
"energy_per_atom": -6.497985445555555,
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"energy_uncorrected": -104.79573802,
"band_gap": 0.687,
"is_gap_direct": false,
"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:03.774000Z",
"spacegroup": 5
},
{
"id": "mp-756857",
"created_at": "2022-09-04T14:40:39.542862Z",
"structure_string": "V4 Sn1 O12\n1.0\n4.588742 5.186146 0.000000\n-4.588742 5.186146 0.000000\n0.000000 2.135641 5.591198\nV Sn O\n4 1 12\ndirect\n0.795185 0.613069 0.011094 V\n0.609163 0.787729 0.524126 V\n0.386931 0.204815 0.988906 V\n0.212271 0.390837 0.475874 V\n0.082134 0.917866 0.500000 Sn\n0.973385 0.788948 0.855757 O\n0.909922 0.392722 0.054420 O\n0.791319 0.956405 0.444888 O\n0.640696 0.628635 0.800876 O\n0.607278 0.090078 0.945580 O\n0.649875 0.650729 0.304350 O\n0.371365 0.359304 0.199124 O\n0.371638 0.903176 0.557803 O\n0.349271 0.350125 0.695650 O\n0.211052 0.026615 0.144243 O\n0.096824 0.628362 0.442197 O\n0.043595 0.208681 0.555112 O\n",
"nsites": 17,
"nelements": 3,
"elements": [
"V",
"Sn",
"O"
],
"chemical_system": "O-Sn-V",
"density": 3.21022071291548,
"density_atomic": 0.06388158371876632,
"volume": 266.1173848607319,
"volume_molar": 9.427037354790707,
"formula_full": "V4 Sn1 O12",
"formula_reduced": "V4SnO12",
"formula_anonymous": "AB4C12",
"energy": -137.66083398,
"energy_per_atom": -8.097696116470589,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"formation_energy_per_atom": null,
"energy_uncorrected": -122.61683398,
"band_gap": 2.2311,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004092,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:05.879000Z",
"spacegroup": 5
},
{
"id": "mp-1358947",
"created_at": "2022-09-04T14:40:39.517386Z",
"structure_string": "Ba4 Ca1 Fe4 Cu2 F28\n1.0\n2.736697 7.087973 0.000000\n-2.736697 7.087973 0.000000\n0.000000 0.178512 15.193789\nBa Ca Fe Cu F\n4 1 4 2 28\ndirect\n0.754688 0.875625 0.383597 Ba\n0.878575 0.739587 0.865489 Ba\n0.260413 0.121425 0.134511 Ba\n0.124375 0.245312 0.616403 Ba\n0.590476 0.409524 0.000000 Ca\n0.861271 0.900158 0.619938 Fe\n0.150695 0.089976 0.877165 Fe\n0.910024 0.849305 0.122835 Fe\n0.099842 0.138729 0.380062 Fe\n0.497871 0.501196 0.750527 Cu\n0.498804 0.502129 0.249473 Cu\n0.939390 0.078291 0.095323 F\n0.614942 0.109463 0.202913 F\n0.381883 0.884002 0.290596 F\n0.142894 0.349250 0.333132 F\n0.497298 0.398127 0.353931 F\n0.601873 0.502702 0.646069 F\n0.115998 0.618117 0.709404 F\n0.921709 0.060610 0.904677 F\n0.016792 0.631872 0.533113 F\n0.854315 0.645620 0.149130 F\n0.585949 0.155096 0.541452 F\n0.650750 0.857106 0.666868 F\n0.185666 0.582567 0.039033 F\n0.417433 0.814334 0.960967 F\n0.394716 0.501616 0.860886 F\n0.967233 0.350835 0.973607 F\n0.311282 0.849001 0.771708 F\n0.049690 0.936677 0.398825 F\n0.688795 0.155944 0.733314 F\n0.844056 0.311205 0.266686 F\n0.890537 0.385058 0.797087 F\n0.844904 0.414051 0.458548 F\n0.649165 0.032767 0.026393 F\n0.150999 0.688718 0.228292 F\n0.498384 0.605284 0.139114 F\n0.063323 0.950310 0.601175 F\n0.368128 0.983208 0.466887 F\n0.354380 0.145685 0.850870 F\n",
"nsites": 39,
"nelements": 5,
"elements": [
"Ba",
"Ca",
"Fe",
"Cu",
"F"
],
"chemical_system": "Ba-Ca-Cu-F-Fe",
"density": 4.146264088671272,
"density_atomic": 0.0661636948145461,
"volume": 589.4471297184243,
"volume_molar": 9.101880989082899,
"formula_full": "Ba4 Ca1 Fe4 Cu2 F28",
"formula_reduced": "Ba4CaFe4Cu2F28",
"formula_anonymous": "AB2C4D4E28",
"energy": -223.77080431,
"energy_per_atom": -5.737712931025641,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -201.81080431000004,
"band_gap": 0.0842999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 20.0004367,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:04.928000Z",
"spacegroup": 5
},
{
"id": "mp-887412",
"created_at": "2022-09-04T14:40:40.612472Z",
"structure_string": "Li12 Mn2 V6 P12 O48\n1.0\n4.438960 7.590268 0.000000\n-4.438960 7.590268 0.000000\n0.000000 4.663167 13.723688\nLi Mn V P O\n12 2 6 12 48\ndirect\n0.857842 0.234185 0.761511 Li\n0.503015 0.245797 0.873285 Li\n0.765815 0.142158 0.238489 Li\n0.248966 0.998596 0.624811 Li\n0.641869 0.764642 0.488494 Li\n0.736653 0.857857 0.010686 Li\n0.263385 0.640703 0.736403 Li\n0.359297 0.736615 0.263597 Li\n0.754203 0.496985 0.126715 Li\n0.001404 0.751034 0.375189 Li\n0.235358 0.358131 0.511506 Li\n0.142143 0.263347 0.989314 Li\n0.677573 0.422713 0.340463 Mn\n0.577287 0.322427 0.659537 Mn\n0.424838 0.180882 0.087924 V\n0.316733 0.078152 0.411713 V\n0.921848 0.683267 0.588287 V\n0.182456 0.921879 0.837855 V\n0.819118 0.575162 0.912076 V\n0.078121 0.817544 0.162145 V\n0.867838 0.917583 0.758502 P\n0.631532 0.084558 0.494378 P\n0.827186 0.172814 0.000000 P\n0.082417 0.132162 0.241498 P\n0.674065 0.824394 0.250802 P\n0.581470 0.631206 0.741850 P\n0.419772 0.866887 0.006409 P\n0.318185 0.681815 0.500000 P\n0.915442 0.368468 0.505622 P\n0.175606 0.325935 0.749198 P\n0.368794 0.418530 0.258150 P\n0.133113 0.580228 0.993591 P\n0.718397 0.105775 0.767217 O\n0.615387 0.165222 0.579033 O\n0.669678 0.193326 0.394745 O\n0.838817 0.799573 0.856236 O\n0.880246 0.841243 0.672736 O\n0.192020 0.141914 0.746650 O\n0.898598 0.052526 0.093804 O\n0.452356 0.074250 0.509845 O\n0.947474 0.101402 0.906196 O\n0.106839 0.219127 0.509962 O\n0.780873 0.893161 0.490037 O\n0.643910 0.188629 0.996835 O\n0.858086 0.807980 0.253350 O\n0.158757 0.119754 0.327264 O\n0.659677 0.610456 0.828022 O\n0.554013 0.897882 0.344310 O\n0.200427 0.161183 0.143764 O\n0.390556 0.781352 0.737777 O\n0.603254 0.944991 0.156582 O\n0.693212 0.666298 0.643544 O\n0.048391 0.927193 0.740435 O\n0.432993 0.044748 0.989603 O\n0.302944 0.865215 0.503547 O\n0.925750 0.547644 0.490155 O\n0.072807 0.951609 0.259565 O\n0.685406 0.642768 0.247705 O\n0.570669 0.450951 0.755920 O\n0.955252 0.567007 0.010397 O\n0.307776 0.832266 0.105141 O\n0.387252 0.563013 0.594073 O\n0.610664 0.715089 0.011149 O\n0.806674 0.330322 0.605255 O\n0.436987 0.612748 0.405927 O\n0.340314 0.882906 0.921440 O\n0.834778 0.384613 0.420967 O\n0.134785 0.697056 0.496453 O\n0.357232 0.314594 0.752295 O\n0.218648 0.609444 0.262223 O\n0.894225 0.281603 0.232783 O\n0.055009 0.396746 0.843418 O\n0.549049 0.429331 0.244080 O\n0.102118 0.445987 0.655690 O\n0.811371 0.356090 0.003165 O\n0.117094 0.659686 0.078560 O\n0.167734 0.692224 0.894859 O\n0.333702 0.306788 0.356456 O\n0.389544 0.340323 0.171978 O\n0.284911 0.389336 0.988851 O\n",
"nsites": 80,
"nelements": 5,
"elements": [
"Li",
"Mn",
"V",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P-V",
"density": 2.9420451135924384,
"density_atomic": 0.08650691276302554,
"volume": 924.7815861739236,
"volume_molar": 6.961456105244298,
"formula_full": "Li12 Mn2 V6 P12 O48",
"formula_reduced": "Li6MnV3(PO4)6",
"formula_anonymous": "AB3C6D6E24",
"energy": -610.1737955799999,
"energy_per_atom": -7.627172444749999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -563.66179558,
"band_gap": 0.5895000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 20.0000246,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:04.466000Z",
"spacegroup": 5
},
{
"id": "mp-1154719",
"created_at": "2022-09-04T14:40:40.776239Z",
"structure_string": "Ca1 Mn2 Si4 O12\n1.0\n5.175756 0.113148 1.139117\n1.364027 6.526013 0.605880\n0.167123 0.000469 6.692436\nCa Mn Si O\n1 2 4 12\ndirect\n0.250000 0.694198 0.305801 Ca\n0.750001 0.909372 0.090628 Mn\n0.250001 0.111249 0.888751 Mn\n0.270516 0.197744 0.383290 Si\n0.229484 0.616711 0.802256 Si\n0.779805 0.379594 0.198296 Si\n0.720195 0.801704 0.620405 Si\n0.495412 0.339760 0.351736 O\n0.004588 0.648264 0.660241 O\n0.493496 0.666763 0.632997 O\n0.006503 0.367003 0.333236 O\n0.207518 0.090191 0.606146 O\n0.292482 0.393853 0.909810 O\n0.812631 0.885420 0.385425 O\n0.687367 0.614575 0.114580 O\n0.879886 0.192391 0.034882 O\n0.620114 0.965119 0.807609 O\n0.373004 0.025213 0.198802 O\n0.126998 0.801198 0.974787 O\n",
"nsites": 19,
"nelements": 4,
"elements": [
"Ca",
"Mn",
"Si",
"O"
],
"chemical_system": "Ca-Mn-O-Si",
"density": 3.3709158194868687,
"density_atomic": 0.08490246408611123,
"volume": 223.78620225591445,
"volume_molar": 7.093010579636561,
"formula_full": "Ca1 Mn2 Si4 O12",
"formula_reduced": "CaMn2(SiO3)4",
"formula_anonymous": "AB2C4D12",
"energy": -156.98633489000002,
"energy_per_atom": -8.262438678421054,
"energy_above_hull": null,
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"energy_uncorrected": -145.40633489,
"band_gap": 1.1615000000000002,
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"is_magnetic": true,
"total_magnetization": 7.9998003,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:03.914000Z",
"spacegroup": 5
},
{
"id": "mp-32077",
"created_at": "2022-09-04T14:40:40.976943Z",
"structure_string": "Mo4 P6 O24\n1.0\n7.617706 -0.003212 4.429970\n-5.048952 7.423971 0.016562\n0.032212 -0.003212 8.812096\nMo P O\n4 6 24\ndirect\n0.284816 0.927283 0.356306 Mo\n0.284772 0.425325 0.858453 Mo\n0.716411 0.572718 0.142466 Mo\n0.716222 0.074676 0.640553 Mo\n0.785184 0.751682 0.752117 P\n0.499979 0.249491 0.534589 P\n0.496200 0.748317 0.466499 P\n0.215918 0.250508 0.249513 P\n0.785952 0.250001 0.964048 P\n0.213831 0.749999 0.036168 P\n0.648013 0.917291 0.480297 O\n0.018009 0.731583 0.061447 O\n0.212384 0.581125 0.006115 O\n0.206968 0.768417 0.213574 O\n0.966560 0.258583 0.953451 O\n0.783003 0.419160 0.006898 O\n0.787968 0.241417 0.792023 O\n0.804647 0.730316 0.914127 O\n0.996601 0.787391 0.574355 O\n0.648968 0.232247 0.564219 O\n0.784202 0.920310 0.729793 O\n0.602413 0.582710 0.769276 O\n0.573943 0.080840 0.136156 O\n0.641968 0.420499 0.366468 O\n0.203534 0.267753 0.083279 O\n0.341421 0.266248 0.708688 O\n0.638252 0.712608 0.290791 O\n0.025064 0.233752 0.424827 O\n0.412761 0.918875 0.868740 O\n0.349897 0.579691 0.636107 O\n0.213032 0.079501 0.278532 O\n0.418951 0.420148 0.211123 O\n0.355557 0.769684 0.425668 O\n0.368730 0.079852 0.501197 O\n",
"nsites": 34,
"nelements": 3,
"elements": [
"Mo",
"P",
"O"
],
"chemical_system": "Mo-O-P",
"density": 3.1846093368422617,
"density_atomic": 0.06837937517495395,
"volume": 497.2259531914171,
"volume_molar": 8.806954940129074,
"formula_full": "Mo4 P6 O24",
"formula_reduced": "Mo2(PO4)3",
"formula_anonymous": "A2B3C12",
"energy": -277.76273294000003,
"energy_per_atom": -8.169492145294118,
"energy_above_hull": null,
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"formation_energy": null,
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"energy_uncorrected": -248.46673294,
"band_gap": 1.0492,
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"is_magnetic": true,
"total_magnetization": 5.9997182,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:02.321000Z",
"spacegroup": 5
},
{
"id": "mp-1235527",
"created_at": "2022-09-04T14:40:41.609139Z",
"structure_string": "Cs4 Li1 Pb4 O6\n1.0\n-5.098197 -4.361216 4.615383\n-5.064634 4.361216 -4.580742\n5.098197 -4.361216 -4.615383\nCs Li Pb O\n4 1 4 6\ndirect\n0.977639 0.984289 0.996281 Cs\n0.555760 0.053007 0.509088 Cs\n0.511992 0.515711 0.993350 Cs\n0.956081 0.446993 0.502752 Cs\n0.227512 0.750000 0.477512 Li\n0.525896 0.539663 0.506864 Pb\n0.970715 0.973541 0.509139 Pb\n0.467200 0.960337 0.986233 Pb\n0.035598 0.526459 0.997173 Pb\n0.747227 0.514237 0.766058 O\n0.751821 0.985763 0.232990 O\n0.435969 0.750000 0.685969 O\n0.014205 0.250000 0.764205 O\n0.745896 0.749382 0.500871 O\n0.251490 0.750618 0.996514 O\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Cs",
"Li",
"Pb",
"O"
],
"chemical_system": "Cs-Li-O-Pb",
"density": 5.961812023397477,
"density_atomic": 0.036801836844471934,
"volume": 407.58835118451907,
"volume_molar": 16.36369615312991,
"formula_full": "Cs4 Li1 Pb4 O6",
"formula_reduced": "Cs4Li(Pb2O3)2",
"formula_anonymous": "AB4C4D6",
"energy": -70.57334861,
"energy_per_atom": -4.7048899073333335,
"energy_above_hull": null,
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"energy_uncorrected": -66.45134861,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:09.726000Z",
"spacegroup": 5
},
{
"id": "mp-1217853",
"created_at": "2022-09-04T14:40:41.665327Z",
"structure_string": "Sr1 Zr1 Cd1 H8 C8 O22\n1.0\n8.038961 4.390708 0.000000\n-8.038961 4.390708 0.000000\n0.000000 4.367226 8.074617\nSr Zr Cd H C O\n1 1 1 8 8 22\ndirect\n0.498783 0.501217 0.000000 Sr\n0.250281 0.749719 0.500000 Zr\n0.999827 0.000173 0.000000 Cd\n0.485992 0.268422 0.780502 H\n0.051668 0.269534 0.217881 H\n0.730466 0.948332 0.782119 H\n0.731578 0.514008 0.219498 H\n0.712252 0.425471 0.713254 H\n0.140666 0.427325 0.286050 H\n0.572675 0.859334 0.713950 H\n0.574529 0.287748 0.286746 H\n0.214078 0.444673 0.770125 C\n0.215277 0.984136 0.230236 C\n0.555327 0.785922 0.229875 C\n0.015864 0.784723 0.769764 C\n0.049705 0.324740 0.723426 C\n0.049589 0.773462 0.275215 C\n0.675260 0.950295 0.276574 C\n0.226538 0.950411 0.724785 C\n0.237556 0.362663 0.879993 O\n0.241128 0.117497 0.122329 O\n0.637337 0.762444 0.120007 O\n0.882503 0.758872 0.877671 O\n0.749021 0.250979 0.500000 O\n0.940304 0.144338 0.795753 O\n0.942872 0.736542 0.201460 O\n0.855662 0.059696 0.204247 O\n0.263458 0.057128 0.798540 O\n0.588170 0.384425 0.785522 O\n0.172580 0.381273 0.208201 O\n0.618727 0.827420 0.791799 O\n0.615575 0.411830 0.214478 O\n0.314880 0.627482 0.688405 O\n0.316652 0.002950 0.311777 O\n0.372518 0.685120 0.311595 O\n0.997050 0.683348 0.688223 O\n0.039686 0.425745 0.611648 O\n0.038334 0.651910 0.387838 O\n0.574255 0.960314 0.388352 O\n0.348090 0.961666 0.612162 O\n0.500287 0.499713 0.500000 O\n",
"nsites": 41,
"nelements": 6,
"elements": [
"Sr",
"Zr",
"Cd",
"H",
"C",
"O"
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