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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-decomposes_to&page=10179",
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"results": [
{
"id": "mp-754096",
"created_at": "2022-09-04T14:42:19.136835Z",
"structure_string": "Li4 Ti2 Fe2 O8\n1.0\n-2.881956 -1.643346 2.367883\n2.889521 -1.678654 2.352406\n0.059560 7.143540 5.028001\nLi Ti Fe O\n4 2 2 8\ndirect\n0.500000 0.999867 0.247891 Li\n0.499997 0.999935 0.750761 Li\n0.999943 0.000180 0.001708 Li\n0.500089 0.500196 0.503161 Li\n0.499992 0.502359 0.998880 Ti\n0.000914 0.999926 0.498639 Ti\n0.999987 0.499768 0.253293 Fe\n0.999995 0.499911 0.751716 Fe\n0.499938 0.998693 0.999169 O\n0.499563 0.000180 0.499233 O\n0.499970 0.499445 0.227766 O\n0.999886 0.999806 0.268917 O\n0.499984 0.499696 0.769358 O\n0.999914 0.999981 0.729259 O\n0.999910 0.499742 0.999952 O\n0.999917 0.500314 0.500292 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"Ti",
"Fe",
"O"
],
"chemical_system": "Fe-Li-O-Ti",
"density": 4.144518428539949,
"density_atomic": 0.10995607007243433,
"volume": 145.51265782289136,
"volume_molar": 5.476860673569793,
"formula_full": "Li4 Ti2 Fe2 O8",
"formula_reduced": "Li2TiFeO4",
"formula_anonymous": "ABC2D4",
"energy": -120.39985164,
"energy_per_atom": -7.5249907275,
"energy_above_hull": null,
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"energy_uncorrected": -110.39185164,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.9501068,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:42.318000Z",
"spacegroup": 131
},
{
"id": "mp-1103177",
"created_at": "2022-09-04T14:42:19.148538Z",
"structure_string": "Fe4 Se8\n1.0\n5.788550 0.000000 0.000000\n0.000000 5.788550 0.000000\n0.000000 0.000000 5.788550\nFe Se\n4 8\ndirect\n0.500000 0.500000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.500000 0.500000 Fe\n0.000000 0.000000 0.000000 Fe\n0.125130 0.874870 0.374870 Se\n0.874870 0.374870 0.125130 Se\n0.374870 0.125130 0.874870 Se\n0.625130 0.625130 0.625130 Se\n0.874870 0.125130 0.625130 Se\n0.125130 0.625130 0.874870 Se\n0.625130 0.874870 0.125130 Se\n0.374870 0.374870 0.374870 Se\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Fe",
"Se"
],
"chemical_system": "Fe-Se",
"density": 7.32042543011768,
"density_atomic": 0.06186882657846737,
"volume": 193.95874568237636,
"volume_molar": 9.733723901102605,
"formula_full": "Fe4 Se8",
"formula_reduced": "FeSe2",
"formula_anonymous": "AB2",
"energy": -69.53599135,
"energy_per_atom": -5.794665945833334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -65.75999135,
"band_gap": 0.0162999999999993,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001422,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:43.946000Z",
"spacegroup": 205
},
{
"id": "mp-1188037",
"created_at": "2022-09-04T14:42:19.148629Z",
"structure_string": "Zr6 Br2\n1.0\n3.090305 -5.352564 0.000000\n3.090305 5.352564 0.000000\n0.000000 0.000000 5.404110\nZr Br\n6 2\ndirect\n0.162078 0.324156 0.250000 Zr\n0.675844 0.837922 0.250000 Zr\n0.162078 0.837922 0.250000 Zr\n0.837922 0.675844 0.750000 Zr\n0.324156 0.162078 0.750000 Zr\n0.837922 0.162078 0.750000 Zr\n0.333333 0.666667 0.750000 Br\n0.666667 0.333333 0.250000 Br\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Zr",
"Br"
],
"chemical_system": "Br-Zr",
"density": 6.5681714691491635,
"density_atomic": 0.04474789367683489,
"volume": 178.77936462831642,
"volume_molar": 13.457931234688582,
"formula_full": "Zr6 Br2",
"formula_reduced": "Zr3Br",
"formula_anonymous": "AB3",
"energy": -53.94439811,
"energy_per_atom": -6.74304976375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -52.87639811,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0124771,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:44.156000Z",
"spacegroup": 194
},
{
"id": "mp-1193025",
"created_at": "2022-09-04T14:42:19.214587Z",
"structure_string": "K4 Zn4 I12 O8\n1.0\n7.742249 0.000000 0.000000\n0.000000 9.792159 0.000000\n0.000000 0.000000 14.498605\nK Zn I O\n4 4 12 8\ndirect\n0.883012 0.466704 0.089305 K\n0.383012 0.033296 0.910695 K\n0.116988 0.966704 0.410695 K\n0.616988 0.533296 0.589305 K\n0.318289 0.463288 0.909907 Zn\n0.818289 0.036712 0.090093 Zn\n0.681711 0.963288 0.590093 Zn\n0.181711 0.536712 0.409907 Zn\n0.347740 0.331814 0.759940 I\n0.847740 0.168186 0.240060 I\n0.652260 0.831814 0.740060 I\n0.152260 0.668186 0.259940 I\n0.395780 0.346478 0.062312 I\n0.895780 0.153522 0.937688 I\n0.604220 0.846478 0.437688 I\n0.104220 0.653522 0.562312 I\n0.166579 0.691481 0.919320 I\n0.666579 0.808519 0.080680 I\n0.833421 0.191481 0.580680 I\n0.333421 0.308519 0.419320 I\n0.716404 0.523608 0.879291 O\n0.216404 0.976392 0.120709 O\n0.283596 0.023608 0.620709 O\n0.783596 0.476392 0.379291 O\n0.783027 0.486108 0.806531 O\n0.283027 0.013892 0.193469 O\n0.216973 0.986108 0.693469 O\n0.716973 0.513892 0.306531 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"K",
"Zn",
"I",
"O"
],
"chemical_system": "I-K-O-Zn",
"density": 3.125447281636204,
"density_atomic": 0.0254733593327404,
"volume": 1099.1875721712197,
"volume_molar": 23.64093671877766,
"formula_full": "K4 Zn4 I12 O8",
"formula_reduced": "KZnI3O2",
"formula_anonymous": "ABC2D3",
"energy": -86.72458424999999,
"energy_per_atom": -3.0973065803571425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -85.43658425,
"band_gap": 0.8614999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.0084858,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:44.493000Z",
"spacegroup": 19
},
{
"id": "mp-1208535",
"created_at": "2022-09-04T14:42:17.958719Z",
"structure_string": "Tb4 Ga18 Ir6\n1.0\n3.803386 -6.583409 0.000000\n3.803386 6.583409 0.000000\n0.000000 0.000000 9.516334\nTb Ga Ir\n4 18 6\ndirect\n0.997099 0.667865 0.250000 Tb\n0.002901 0.332135 0.750000 Tb\n0.667865 0.997099 0.250000 Tb\n0.332135 0.002901 0.750000 Tb\n0.127022 0.127022 0.250000 Ga\n0.872978 0.872978 0.750000 Ga\n0.999403 0.333789 0.079833 Ga\n0.000597 0.666211 0.920167 Ga\n0.000597 0.666211 0.579833 Ga\n0.333789 0.999403 0.420167 Ga\n0.999403 0.333789 0.420167 Ga\n0.666211 0.000597 0.579833 Ga\n0.666211 0.000597 0.920167 Ga\n0.333789 0.999403 0.079833 Ga\n0.332944 0.332944 0.563363 Ga\n0.667056 0.667056 0.436637 Ga\n0.667056 0.667056 0.063363 Ga\n0.332944 0.332944 0.936637 Ga\n0.338698 0.545561 0.250000 Ga\n0.661302 0.454439 0.750000 Ga\n0.545561 0.338698 0.250000 Ga\n0.454439 0.661302 0.750000 Ga\n0.671427 0.328573 0.000000 Ir\n0.328573 0.671427 0.000000 Ir\n0.328573 0.671427 0.500000 Ir\n0.671427 0.328573 0.500000 Ir\n0.000000 0.000000 0.000000 Ir\n0.000000 0.000000 0.500000 Ir\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Tb",
"Ga",
"Ir"
],
"chemical_system": "Ga-Ir-Tb",
"density": 10.606578625257752,
"density_atomic": 0.05875395671492304,
"volume": 476.56364891061406,
"volume_molar": 10.249762052996209,
"formula_full": "Tb4 Ga18 Ir6",
"formula_reduced": "Tb2(Ga3Ir)3",
"formula_anonymous": "A2B3C9",
"energy": -145.06812276,
"energy_per_atom": -5.181004384285714,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -145.06812276,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003071,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:45.849000Z",
"spacegroup": 63
},
{
"id": "mp-1219904",
"created_at": "2022-09-04T14:42:17.967774Z",
"structure_string": "Pr3 Dy1 Fe34\n1.0\n4.270482 2.474419 4.170762\n-4.270482 2.474419 4.170762\n0.000000 -9.853291 8.315277\nPr Dy Fe\n3 1 34\ndirect\n0.659560 0.659560 0.829410 Pr\n0.341679 0.341679 0.170938 Pr\n0.340215 0.340215 0.670454 Pr\n0.660852 0.660852 0.330329 Dy\n0.288546 0.711274 0.000795 Fe\n0.293125 0.708321 0.498500 Fe\n0.708883 0.998885 0.146952 Fe\n0.710691 0.000996 0.643885 Fe\n0.997972 0.292282 0.354236 Fe\n0.999122 0.289215 0.855456 Fe\n0.292282 0.997972 0.354236 Fe\n0.289215 0.999122 0.855456 Fe\n0.998885 0.708883 0.146952 Fe\n0.000996 0.710691 0.643885 Fe\n0.711274 0.288546 0.000795 Fe\n0.708321 0.293125 0.498500 Fe\n0.903087 0.903087 0.450868 Fe\n0.904060 0.904060 0.952119 Fe\n0.095417 0.095417 0.048873 Fe\n0.095715 0.095715 0.547215 Fe\n0.998924 0.998924 0.250683 Fe\n0.999950 0.999950 0.749725 Fe\n0.999241 0.500842 0.498835 Fe\n0.999808 0.500020 0.000705 Fe\n0.500020 0.999808 0.000705 Fe\n0.500842 0.999241 0.498835 Fe\n0.343628 0.343628 0.421809 Fe\n0.341030 0.341030 0.922764 Fe\n0.343587 0.843963 0.172053 Fe\n0.341285 0.845376 0.669736 Fe\n0.843963 0.343587 0.172053 Fe\n0.845376 0.341285 0.669736 Fe\n0.658655 0.658655 0.079225 Fe\n0.658062 0.658062 0.575438 Fe\n0.658119 0.154471 0.329163 Fe\n0.658447 0.154695 0.829759 Fe\n0.154471 0.658119 0.329163 Fe\n0.154695 0.658447 0.829759 Fe\n",
"nsites": 38,
"nelements": 3,
"elements": [
"Pr",
"Dy",
"Fe"
],
"chemical_system": "Dy-Fe-Pr",
"density": 7.83074522745225,
"density_atomic": 0.07214300501163162,
"volume": 526.7315936433928,
"volume_molar": 8.347504735946401,
"formula_full": "Pr3 Dy1 Fe34",
"formula_reduced": "Pr3DyFe34",
"formula_anonymous": "AB3C34",
"energy": -305.3511127,
"energy_per_atom": -8.03555559736842,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -305.3511127,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 79.2800393,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:42.548000Z",
"spacegroup": 8
},
{
"id": "mp-1522205",
"created_at": "2022-09-04T14:42:17.972741Z",
"structure_string": "K1 Sm1 Ni4 O12\n1.0\n0.000000 3.811703 3.852002\n0.000000 -3.811703 3.852002\n7.634810 0.000000 0.000000\nK Sm Ni O\n1 1 4 12\ndirect\n0.009602 0.009602 -0.000000 K\n0.487504 0.487504 0.500000 Sm\n0.501774 0.996931 0.753279 Ni\n0.501774 0.996931 0.246721 Ni\n0.996931 0.501774 0.246721 Ni\n0.996931 0.501774 0.753279 Ni\n0.738071 0.260771 0.728442 O\n0.260771 0.738071 0.728442 O\n0.260771 0.738071 0.271558 O\n0.738071 0.260771 0.271558 O\n0.724191 0.724191 0.715311 O\n0.272632 0.272632 0.745374 O\n0.272632 0.272632 0.254626 O\n0.724191 0.724191 0.284689 O\n0.517456 0.986213 -0.000000 O\n0.485609 0.026974 0.500000 O\n0.986213 0.517456 -0.000000 O\n0.026974 0.485609 0.500000 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"K",
"Sm",
"Ni",
"O"
],
"chemical_system": "K-Ni-O-Sm",
"density": 4.564092233643219,
"density_atomic": 0.08028579605429202,
"volume": 224.19905991624944,
"volume_molar": 7.500879428196267,
"formula_full": "K1 Sm1 Ni4 O12",
"formula_reduced": "KSm(NiO3)4",
"formula_anonymous": "ABC4D12",
"energy": -103.0638652,
"energy_per_atom": -5.725770288888889,
"energy_above_hull": null,
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"energy_uncorrected": -84.6558652,
"band_gap": 0.0,
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"total_magnetization": 12.385545,
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"updated_at": "2021-11-28T01:35:42.094000Z",
"spacegroup": 38
},
{
"id": "mp-1203956",
"created_at": "2022-09-04T14:42:17.974894Z",
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{
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"structure_string": "Ca8 Ga16 S32\n1.0\n0.000000 10.138557 10.193524\n6.114587 0.000000 10.193524\n6.114587 10.138557 0.000000\nCa Ga S\n8 16 32\ndirect\n0.500000 0.500000 0.500000 Ca\n0.750000 0.750000 0.750000 Ca\n0.000000 0.000000 0.000000 Ca\n0.250000 0.250000 0.250000 Ca\n0.247812 0.247812 0.752188 Ca\n0.752188 0.752188 0.247812 Ca\n0.002188 0.002188 0.497812 Ca\n0.497812 0.497812 0.002188 Ca\n0.592552 0.156949 0.265890 Ga\n0.984609 0.265890 0.156949 Ga\n0.265890 0.984609 0.592552 Ga\n0.156949 0.592552 0.984609 Ga\n0.657448 0.093051 0.984110 Ga\n0.265391 0.984110 0.093051 Ga\n0.984110 0.265391 0.657448 Ga\n0.093051 0.657448 0.265391 Ga\n0.737835 0.013461 0.487998 Ga\n0.760706 0.487998 0.013461 Ga\n0.487998 0.760706 0.737835 Ga\n0.013461 0.737835 0.760706 Ga\n0.512165 0.236539 0.762002 Ga\n0.489294 0.762002 0.236539 Ga\n0.762002 0.489294 0.512165 Ga\n0.236539 0.512165 0.489294 Ga\n0.308561 0.438765 0.778076 S\n0.474598 0.778076 0.438765 S\n0.778076 0.474598 0.308561 S\n0.438765 0.308561 0.474598 S\n0.941439 0.811235 0.471924 S\n0.775402 0.471924 0.811235 S\n0.471924 0.775402 0.941439 S\n0.811235 0.941439 0.775402 S\n0.970193 0.782307 0.968179 S\n0.279322 0.968179 0.782307 S\n0.968179 0.279322 0.970193 S\n0.782307 0.970193 0.279322 S\n0.279807 0.467693 0.281821 S\n0.970678 0.281821 0.467693 S\n0.281821 0.970678 0.279807 S\n0.467693 0.279807 0.970678 S\n0.211868 0.209136 0.037792 S\n0.541205 0.037792 0.209136 S\n0.037792 0.541205 0.211868 S\n0.209136 0.211868 0.541205 S\n0.038132 0.040864 0.212208 S\n0.708795 0.212208 0.040864 S\n0.212208 0.708795 0.038132 S\n0.040864 0.038132 0.708795 S\n0.541555 0.538440 0.708568 S\n0.211437 0.708568 0.538440 S\n0.708568 0.211437 0.541555 S\n0.538440 0.541555 0.211437 S\n0.708445 0.711560 0.541432 S\n0.038563 0.541432 0.711560 S\n0.541432 0.038563 0.708445 S\n0.711560 0.708445 0.038563 S\n",
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{
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]
}