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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formation_energy_per_atom&page=5",
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"results": [
{
"id": "mp-752720",
"created_at": "2022-09-04T14:42:41.623025Z",
"structure_string": "Li3 Ni2 C4 O12\n1.0\n5.228672 0.000000 0.000000\n-2.602132 5.704494 0.000000\n-0.032368 -0.055309 7.707628\nLi Ni C O\n3 2 4 12\ndirect\n0.303037 0.688255 0.061028 Li\n0.694882 0.315251 0.934338 Li\n0.805445 0.189847 0.444083 Li\n0.994506 0.998335 0.003843 Ni\n0.498729 0.507699 0.499188 Ni\n0.738049 0.882911 0.741027 C\n0.226650 0.374170 0.763131 C\n0.765226 0.615477 0.233092 C\n0.272325 0.122268 0.261518 C\n0.620106 0.915716 0.882405 O\n0.622443 0.848094 0.593159 O\n0.516863 0.614932 0.243009 O\n0.991316 0.901389 0.766235 O\n0.900314 0.655715 0.086270 O\n0.868203 0.569448 0.371460 O\n0.110265 0.392445 0.620073 O\n0.095611 0.340689 0.911010 O\n0.014785 0.103281 0.247325 O\n0.486016 0.400922 0.755557 O\n0.410567 0.172930 0.401189 O\n0.373697 0.080469 0.116282 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
"Li",
"Ni",
"C",
"O"
],
"chemical_system": "C-Li-Ni-O",
"density": 2.732080428399486,
"density_atomic": 0.09134610260326251,
"volume": 229.89486580733404,
"volume_molar": 6.592663056633698,
"formula_full": "Li3 Ni2 C4 O12",
"formula_reduced": "Li3Ni2(CO3)4",
"formula_anonymous": "A2B3C4D12",
"energy": -151.63430653999998,
"energy_per_atom": -7.220681263809523,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -138.30830654,
"band_gap": 0.0181,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.998921,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:52.461000Z",
"spacegroup": 1
},
{
"id": "mp-1226753",
"created_at": "2022-09-04T14:42:41.631317Z",
"structure_string": "Cd1 Bi1 I1 O2\n1.0\n-2.012181 2.012181 6.605730\n2.012181 -2.012181 6.605730\n2.012181 2.012181 -6.605730\nCd Bi I O\n1 1 1 2\ndirect\n0.836702 0.836702 0.000000 Cd\n0.171281 0.171281 0.000000 Bi\n0.489229 0.489229 0.000000 I\n0.751394 0.251394 0.500000 O\n0.251394 0.751394 0.500000 O\n",
"nsites": 5,
"nelements": 4,
"elements": [
"Cd",
"Bi",
"I",
"O"
],
"chemical_system": "Bi-Cd-I-O",
"density": 7.45490248589109,
"density_atomic": 0.04673638387203488,
"volume": 106.98303090136577,
"volume_molar": 12.885337420389087,
"formula_full": "Cd1 Bi1 I1 O2",
"formula_reduced": "CdBiIO2",
"formula_anonymous": "ABCD2",
"energy": -22.86205815,
"energy_per_atom": -4.5724116299999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.10905815,
"band_gap": 1.2997999999999994,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004368,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:57.153000Z",
"spacegroup": 107
},
{
"id": "mp-1227509",
"created_at": "2022-09-04T14:42:41.638534Z",
"structure_string": "Ce3 Ga6 Co9\n1.0\n0.000000 0.000000 -4.138896\n-8.673111 0.001485 0.000000\n-4.337842 7.510391 0.000000\nCe Ga Co\n3 6 9\ndirect\n0.500000 0.333156 0.333532 Ce\n0.500000 0.666468 0.666844 Ce\n0.000000 0.999994 0.000006 Ce\n0.000000 0.506148 0.493852 Ga\n0.000000 0.493750 0.000185 Ga\n0.000000 0.999815 0.506250 Ga\n0.500000 0.274563 0.725437 Ga\n0.500000 0.725538 0.999995 Ga\n0.500000 0.000005 0.274462 Ga\n0.000000 0.174985 0.177295 Co\n0.000000 0.177216 0.647743 Co\n0.000000 0.647943 0.174893 Co\n0.000000 0.822705 0.825015 Co\n0.000000 0.352257 0.822784 Co\n0.000000 0.825107 0.352057 Co\n0.500000 0.694204 0.305796 Co\n0.500000 0.305968 0.999919 Co\n0.500000 0.000081 0.694032 Co\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ce",
"Ga",
"Co"
],
"chemical_system": "Ce-Co-Ga",
"density": 8.43335566796253,
"density_atomic": 0.06677186239831959,
"volume": 269.5746284958048,
"volume_molar": 9.01897976736913,
"formula_full": "Ce3 Ga6 Co9",
"formula_reduced": "CeGa2Co3",
"formula_anonymous": "AB2C3",
"energy": -106.94102132999998,
"energy_per_atom": -5.941167851666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -106.94102132999998,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.1550282,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:49.260000Z",
"spacegroup": 189
},
{
"id": "mp-1235384",
"created_at": "2022-09-04T14:42:41.645379Z",
"structure_string": "Li1 Dy2 Nb2 O8\n1.0\n-3.599718 4.013453 3.712901\n3.400226 -3.700541 3.162275\n3.551739 3.661876 -3.371489\nLi Dy Nb O\n1 2 2 8\ndirect\n0.985500 0.280223 0.303001 Li\n0.546613 0.348745 0.219014 Dy\n0.454091 0.666133 0.794248 Dy\n0.886240 0.164148 0.749365 Nb\n0.113525 0.821227 0.233302 Nb\n0.719455 0.150574 0.978010 O\n0.236015 0.313562 0.897394 O\n0.799901 0.271252 0.505173 O\n0.709797 0.758358 0.594249 O\n0.266448 0.232798 0.398338 O\n0.763746 0.688871 0.104197 O\n0.205170 0.693619 0.456656 O\n0.303084 0.865697 0.037885 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Li",
"Dy",
"Nb",
"O"
],
"chemical_system": "Dy-Li-Nb-O",
"density": 5.863041854638882,
"density_atomic": 0.07108100080469519,
"volume": 182.88994038954635,
"volume_molar": 8.47222280472198,
"formula_full": "Li1 Dy2 Nb2 O8",
"formula_reduced": "LiDy2Nb2O8",
"formula_anonymous": "AB2C2D8",
"energy": -113.21358935,
"energy_per_atom": -8.708737642307693,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -107.71758934999998,
"band_gap": 0.4297999999999997,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9971693,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:57.318000Z",
"spacegroup": 1
},
{
"id": "mp-981547",
"created_at": "2022-09-04T14:42:41.828600Z",
"structure_string": "Pr1 H3\n1.0\n-1.850167 1.850167 3.005893\n1.850167 -1.850167 3.005893\n1.850167 1.850167 -3.005893\nPr H\n1 3\ndirect\n0.000000 0.000000 0.000000 Pr\n0.750000 0.250000 0.500000 H\n0.250000 0.750000 0.500000 H\n0.500000 0.500000 0.000000 H\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Pr",
"H"
],
"chemical_system": "H-Pr",
"density": 5.806968751364434,
"density_atomic": 0.09718620457839576,
"volume": 41.15810487046419,
"volume_molar": 6.196497523619423,
"formula_full": "Pr1 H3",
"formula_reduced": "PrH3",
"formula_anonymous": "AB3",
"energy": -17.46076275,
"energy_per_atom": -4.3651906875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.92376275,
"band_gap": 0.1572,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0040734,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:49.591000Z",
"spacegroup": 139
},
{
"id": "mp-696580",
"created_at": "2022-09-04T14:42:41.427018Z",
"structure_string": "Fe4 H4 O8\n1.0\n-3.095529 -0.000016 0.000017\n-0.000044 0.011041 7.819028\n-1.547733 6.002988 0.008160\nFe H O\n4 4 8\ndirect\n0.672843 0.625883 0.654223 Fe\n0.327163 0.874118 0.345785 Fe\n0.672834 0.125893 0.654236 Fe\n0.327157 0.374110 0.345764 Fe\n0.000000 0.250000 0.999999 H\n0.000000 0.750000 0.000000 H\n0.999995 0.999990 0.000011 H\n0.000006 0.500010 0.999988 H\n0.292244 0.123922 0.415501 O\n0.292250 0.623923 0.415496 O\n0.707754 0.376077 0.584495 O\n0.707753 0.876076 0.584502 O\n0.061170 0.125280 0.877630 O\n0.061171 0.625278 0.877632 O\n0.938827 0.374720 0.122370 O\n0.938832 0.874722 0.122369 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Fe",
"H",
"O"
],
"chemical_system": "Fe-H-O",
"density": 4.061815189529172,
"density_atomic": 0.11011972447992077,
"volume": 145.2964042142826,
"volume_molar": 5.46872123812667,
"formula_full": "Fe4 H4 O8",
"formula_reduced": "FeHO2",
"formula_anonymous": "ABC2",
"energy": -111.24141347,
"energy_per_atom": -6.952588341875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -96.72141347,
"band_gap": 1.4523,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:50.670000Z",
"spacegroup": 63
},
{
"id": "mp-1200292",
"created_at": "2022-09-04T14:42:41.430632Z",
"structure_string": "Si96 O192\n1.0\n0.000000 -0.003710 -13.606316\n0.000000 -20.241155 0.231066\n-20.478111 0.000000 0.000000\nSi O\n96 192\ndirect\n0.179943 0.555450 0.079514 Si\n0.820057 0.444550 0.920486 Si\n0.679943 0.055450 0.420486 Si\n0.320057 0.944550 0.579514 Si\n0.336446 0.530747 0.186229 Si\n0.663554 0.469253 0.813771 Si\n0.836446 0.030747 0.313771 Si\n0.163554 0.969253 0.686229 Si\n0.553325 0.562414 0.220484 Si\n0.446675 0.437586 0.779516 Si\n0.053325 0.062414 0.279516 Si\n0.946675 0.937586 0.720484 Si\n0.536793 0.562269 0.375996 Si\n0.463207 0.437731 0.624004 Si\n0.036793 0.062269 0.124004 Si\n0.963207 0.937731 0.875996 Si\n0.324294 0.527895 0.423225 Si\n0.675706 0.472105 0.576775 Si\n0.824294 0.027895 0.076775 Si\n0.175706 0.972105 0.923225 Si\n0.186718 0.555794 0.304319 Si\n0.813282 0.444206 0.695681 Si\n0.686718 0.055794 0.195681 Si\n0.313282 0.944206 0.804319 Si\n0.180659 0.328619 0.074531 Si\n0.819341 0.671381 0.925469 Si\n0.680659 0.828619 0.425469 Si\n0.319341 0.171381 0.574531 Si\n0.326154 0.373458 0.187867 Si\n0.673846 0.626542 0.812133 Si\n0.826154 0.873458 0.312133 Si\n0.173846 0.126542 0.687867 Si\n0.535812 0.324014 0.226884 Si\n0.464188 0.675986 0.773116 Si\n0.035812 0.824014 0.273116 Si\n0.964188 0.175986 0.726884 Si\n0.534252 0.323566 0.380877 Si\n0.465748 0.676434 0.619123 Si\n0.034252 0.823566 0.119123 Si\n0.965748 0.176434 0.880877 Si\n0.324806 0.370612 0.428531 Si\n0.675194 0.629388 0.571469 Si\n0.824806 0.870612 0.071469 Si\n0.175194 0.129388 0.928531 Si\n0.185906 0.334823 0.309204 Si\n0.814094 0.665177 0.690796 Si\n0.685906 0.834823 0.190796 Si\n0.314094 0.165177 0.809204 Si\n0.165187 0.943020 0.071661 Si\n0.834813 0.056980 0.928339 Si\n0.665187 0.443020 0.428339 Si\n0.334813 0.556980 0.571661 Si\n0.312010 0.973003 0.187676 Si\n0.687990 0.026997 0.812324 Si\n0.812010 0.473003 0.312324 Si\n0.187990 0.526997 0.687676 Si\n0.529331 0.938732 0.222980 Si\n0.470669 0.061268 0.777020 Si\n0.029331 0.438732 0.277020 Si\n0.970669 0.561268 0.722980 Si\n0.533967 0.935556 0.378378 Si\n0.466033 0.064444 0.621622 Si\n0.033967 0.435556 0.121622 Si\n0.966033 0.564444 0.878378 Si\n0.321605 0.973115 0.429048 Si\n0.678395 0.026885 0.570952 Si\n0.821605 0.473115 0.070952 Si\n0.178395 0.526885 0.929048 Si\n0.182562 0.937924 0.312611 Si\n0.817438 0.062076 0.687389 Si\n0.682562 0.437924 0.187389 Si\n0.317438 0.562076 0.812611 Si\n0.185630 0.171983 0.076129 Si\n0.814370 0.828017 0.923871 Si\n0.685630 0.671983 0.423871 Si\n0.314370 0.328017 0.576129 Si\n0.331588 0.131524 0.187328 Si\n0.668412 0.868475 0.812672 Si\n0.831588 0.631525 0.312672 Si\n0.168412 0.368476 0.687328 Si\n0.545742 0.169011 0.227032 Si\n0.454258 0.830989 0.772968 Si\n0.045742 0.669011 0.272968 Si\n0.954258 0.330989 0.727032 Si\n0.538589 0.170112 0.381092 Si\n0.461411 0.829888 0.618908 Si\n0.038589 0.670112 0.118908 Si\n0.961411 0.329888 0.881092 Si\n0.322476 0.130849 0.427481 Si\n0.677524 0.869151 0.572519 Si\n0.822476 0.630849 0.072519 Si\n0.177524 0.369151 0.927481 Si\n0.202083 0.180748 0.305516 Si\n0.797917 0.819252 0.694484 Si\n0.702083 0.680748 0.194484 Si\n0.297917 0.319252 0.805516 Si\n0.280368 0.558671 0.122142 O\n0.719632 0.441329 0.877858 O\n0.780368 0.058671 0.377858 O\n0.219632 0.941329 0.622142 O\n0.443844 0.566125 0.189596 O\n0.556156 0.433875 0.810404 O\n0.943844 0.066125 0.310404 O\n0.056156 0.933875 0.689596 O\n0.546401 0.547616 0.298451 O\n0.453599 0.452384 0.701549 O\n0.046401 0.047616 0.201549 O\n0.953599 0.952384 0.798451 O\n0.421908 0.566931 0.396898 O\n0.578092 0.433069 0.603102 O\n0.921908 0.066931 0.103102 O\n0.078092 0.933069 0.896898 O\n0.230996 0.544403 0.376965 O\n0.769004 0.455597 0.623035 O\n0.730996 0.044403 0.123035 O\n0.269004 0.955597 0.876965 O\n0.274700 0.547829 0.251836 O\n0.725300 0.452171 0.748164 O\n0.774700 0.047829 0.248164 O\n0.225300 0.952171 0.751836 O\n0.270950 0.346715 0.122974 O\n0.729050 0.653285 0.877026 O\n0.770950 0.846715 0.377026 O\n0.229050 0.153285 0.622974 O\n0.427786 0.333218 0.195132 O\n0.572214 0.666782 0.804868 O\n0.927786 0.833218 0.304868 O\n0.072214 0.166782 0.695132 O\n0.531778 0.343778 0.303955 O\n0.468222 0.656222 0.696045 O\n0.031778 0.843778 0.196045 O\n0.968222 0.156222 0.803955 O\n0.424859 0.331136 0.411394 O\n0.575141 0.668864 0.588606 O\n0.924859 0.831136 0.088606 O\n0.075141 0.168864 0.911394 O\n0.237246 0.348970 0.379368 O\n0.762754 0.651030 0.620632 O\n0.737246 0.848970 0.120632 O\n0.262754 0.151030 0.879368 O\n0.257512 0.362210 0.251663 O\n0.742488 0.637790 0.748337 O\n0.757512 0.862210 0.248337 O\n0.242488 0.137790 0.751663 O\n0.350791 0.451574 0.181005 O\n0.649209 0.548426 0.818995 O\n0.850791 0.951574 0.318995 O\n0.149209 0.048426 0.681005 O\n0.346699 0.449339 0.421984 O\n0.653301 0.550661 0.578017 O\n0.846699 0.949339 0.078017 O\n0.153301 0.050661 0.921983 O\n0.122888 0.625230 0.085633 O\n0.877112 0.374770 0.914367 O\n0.622888 0.125230 0.414367 O\n0.377112 0.874770 0.585633 O\n0.110750 0.495866 0.107551 O\n0.889250 0.504134 0.892448 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