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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formation_energy&page=11530",
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"results": [
{
"id": "mp-1026738",
"created_at": "2022-09-04T14:43:06.338194Z",
"structure_string": "Ce1 Mg14 Cd1\n1.0\n6.417050 0.000000 -0.000000\n-3.208525 5.557328 -0.000000\n0.000000 0.000000 10.179844\nCe Mg Cd\n1 14 1\ndirect\n0.166667 0.333333 0.125000 Ce\n0.183526 0.841763 0.125000 Mg\n0.159501 0.829750 0.625000 Mg\n0.658237 0.316474 0.125000 Mg\n0.670250 0.340499 0.625000 Mg\n0.658237 0.841763 0.125000 Mg\n0.670250 0.829750 0.625000 Mg\n0.333968 0.166032 0.384461 Mg\n0.333968 0.166032 0.865539 Mg\n0.333968 0.667938 0.384461 Mg\n0.333968 0.667938 0.865539 Mg\n0.832062 0.166032 0.384461 Mg\n0.832062 0.166032 0.865539 Mg\n0.833333 0.666667 0.362078 Mg\n0.833333 0.666667 0.887922 Mg\n0.166667 0.333333 0.625000 Cd\n",
"nsites": 16,
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"elements": [
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"chemical_system": "Cd-Ce-Mg",
"density": 2.7115181668904924,
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"volume": 363.0300505019757,
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"formula_full": "Ce1 Mg14 Cd1",
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"updated_at": "2021-11-28T01:35:54.161000Z",
"spacegroup": 187
},
{
"id": "mp-1400735",
"created_at": "2022-09-04T14:43:06.375725Z",
"structure_string": "Mg2 Sb3 O8\n1.0\n3.202793 5.562726 0.000000\n-3.202793 5.562726 0.000000\n0.000000 2.210218 5.054093\nMg Sb O\n2 3 8\ndirect\n0.714502 0.714502 0.359786 Mg\n0.285498 0.285498 0.640214 Mg\n0.000000 0.000000 0.500000 Sb\n0.734998 0.265002 0.000000 Sb\n0.265002 0.734998 0.000000 Sb\n0.395881 0.395881 0.913069 O\n0.604119 0.604119 0.086931 O\n0.886683 0.886683 0.967206 O\n0.113317 0.113317 0.032794 O\n0.365508 0.878717 0.606188 O\n0.878717 0.365508 0.606188 O\n0.121283 0.634492 0.393812 O\n0.634492 0.121283 0.393812 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Mg",
"Sb",
"O"
],
"chemical_system": "Mg-O-Sb",
"density": 4.996508414139995,
"density_atomic": 0.07218610156825818,
"volume": 180.09006883004176,
"volume_molar": 8.342521107481538,
"formula_full": "Mg2 Sb3 O8",
"formula_reduced": "Mg2Sb3O8",
"formula_anonymous": "A2B3C8",
"energy": -80.94409603999999,
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"updated_at": "2021-11-28T01:36:03.729000Z",
"spacegroup": 12
},
{
"id": "mp-1174524",
"created_at": "2022-09-04T14:43:06.287697Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n-3.032506 0.000000 0.000000\n1.476817 6.213921 0.000000\n-0.239656 -1.409959 -13.498655\nLi Mn Co O\n8 2 4 14\ndirect\n0.068642 0.782946 0.643897 Li\n0.212280 0.354365 0.930477 Li\n0.360783 0.930594 0.213466 Li\n0.639217 0.069406 0.786534 Li\n0.787720 0.645635 0.069523 Li\n0.931358 0.217054 0.356103 Li\n0.500000 0.500000 0.500000 Li\n0.500000 0.000000 0.000000 Li\n0.214136 0.854256 0.426461 Mn\n0.785864 0.145744 0.573539 Mn\n0.358848 0.432934 0.716527 Co\n0.641152 0.567066 0.283473 Co\n0.931973 0.725641 0.863321 Co\n0.068027 0.274359 0.136679 Co\n0.625381 0.832678 0.534499 O\n0.777136 0.418613 0.818973 O\n0.935945 0.993442 0.112915 O\n0.204794 0.124916 0.679115 O\n0.341956 0.680321 0.955517 O\n0.489604 0.267069 0.244326 O\n0.052623 0.544849 0.387543 O\n0.510396 0.732931 0.755674 O\n0.658044 0.319679 0.044483 O\n0.795206 0.875084 0.320885 O\n0.064055 0.006558 0.887085 O\n0.222864 0.581387 0.181027 O\n0.374619 0.167322 0.465501 O\n0.947377 0.455151 0.612457 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.080942555614802,
"density_atomic": 0.11007790036064481,
"volume": 254.36531681894792,
"volume_molar": 5.470799079806071,
"formula_full": "Li8 Mn2 Co4 O14",
"formula_reduced": "Li4MnCo2O7",
"formula_anonymous": "AB2C4D7",
"energy": -181.67353981,
"energy_per_atom": -6.4883407075,
"energy_above_hull": null,
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"energy_uncorrected": -162.16753981,
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"updated_at": "2021-11-28T01:36:09.143000Z",
"spacegroup": 2
},
{
"id": "mp-1183152",
"created_at": "2022-09-04T14:43:06.296637Z",
"structure_string": "Ac1 Sc1 O3\n1.0\n4.125046 0.000000 0.000000\n0.000000 4.125046 0.000000\n0.000000 0.000000 4.125046\nAc Sc O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ac\n0.500000 0.500000 0.500000 Sc\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
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"elements": [
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"Sc",
"O"
],
"chemical_system": "Ac-O-Sc",
"density": 7.569207408829243,
"density_atomic": 0.07123339060783351,
"volume": 70.19180130743561,
"volume_molar": 8.454098153426585,
"formula_full": "Ac1 Sc1 O3",
"formula_reduced": "AcScO3",
"formula_anonymous": "ABC3",
"energy": -44.44282928,
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"energy_uncorrected": -42.38182928,
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"total_magnetization": 7.43e-05,
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"updated_at": "2021-11-28T01:36:00.202000Z",
"spacegroup": 221
},
{
"id": "mp-1100488",
"created_at": "2022-09-04T14:43:06.298470Z",
"structure_string": "Li9 Mn7 O16\n1.0\n5.785472 5.270189 0.000000\n-5.785472 5.270189 0.000000\n0.000000 3.195203 4.903346\nLi Mn O\n9 7 16\ndirect\n0.879722 0.634113 0.996426 Li\n0.365887 0.120278 0.003574 Li\n0.000000 0.000000 0.500000 Li\n0.500000 0.500000 0.500000 Li\n0.120278 0.365887 0.003574 Li\n0.634113 0.879722 0.996426 Li\n0.248939 0.751061 0.500000 Li\n0.751061 0.248939 0.500000 Li\n0.000000 0.000000 0.000000 Li\n0.752490 0.247510 0.000000 Mn\n0.247510 0.752490 0.000000 Mn\n0.881915 0.633321 0.491550 Mn\n0.366679 0.118085 0.508450 Mn\n0.500000 0.500000 0.000000 Mn\n0.118085 0.366679 0.508450 Mn\n0.633321 0.881915 0.491550 Mn\n0.615025 0.367408 0.236498 O\n0.121375 0.857049 0.248011 O\n0.757319 0.757319 0.723831 O\n0.254877 0.254877 0.720392 O\n0.857049 0.121375 0.248011 O\n0.367408 0.615025 0.236498 O\n0.003460 0.503993 0.725292 O\n0.503993 0.003460 0.725292 O\n0.142951 0.878625 0.751989 O\n0.632592 0.384975 0.763502 O\n0.242681 0.242681 0.276169 O\n0.745123 0.745123 0.279608 O\n0.384975 0.632592 0.763502 O\n0.878625 0.142951 0.751989 O\n0.496007 0.996540 0.274708 O\n0.996540 0.496007 0.274708 O\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 3.9042065559638064,
"density_atomic": 0.10701938636997481,
"volume": 299.0112453959825,
"volume_molar": 5.627149401867214,
"formula_full": "Li9 Mn7 O16",
"formula_reduced": "Li9Mn7O16",
"formula_anonymous": "A7B9C16",
"energy": -228.38166243,
"energy_per_atom": -7.1369269509375,
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"updated_at": "2021-11-28T01:35:57.760000Z",
"spacegroup": 12
},
{
"id": "mp-1210912",
"created_at": "2022-09-04T14:43:06.338746Z",
"structure_string": "Lu4 Al18 Rh6\n1.0\n3.786265 -6.500848 0.000000\n3.786265 6.500848 0.000000\n0.000000 0.000000 9.412412\nLu Al Rh\n4 18 6\ndirect\n0.995519 0.669405 0.250000 Lu\n0.004481 0.330595 0.750000 Lu\n0.669405 0.995519 0.250000 Lu\n0.330595 0.004481 0.750000 Lu\n0.125067 0.125067 0.250000 Al\n0.874933 0.874933 0.750000 Al\n0.000423 0.334571 0.074377 Al\n0.999577 0.665429 0.925623 Al\n0.999577 0.665429 0.574377 Al\n0.334571 0.000423 0.425623 Al\n0.000423 0.334571 0.425623 Al\n0.665429 0.999577 0.574377 Al\n0.665429 0.999577 0.925623 Al\n0.334571 0.000423 0.074377 Al\n0.332997 0.332997 0.554939 Al\n0.667003 0.667003 0.445061 Al\n0.667003 0.667003 0.054939 Al\n0.332997 0.332997 0.945061 Al\n0.337551 0.548543 0.250000 Al\n0.662449 0.451457 0.750000 Al\n0.548543 0.337551 0.250000 Al\n0.451457 0.662449 0.750000 Al\n0.672320 0.327680 0.000000 Rh\n0.327680 0.672320 0.000000 Rh\n0.327680 0.672320 0.500000 Rh\n0.672320 0.327680 0.500000 Rh\n0.000000 0.000000 0.000000 Rh\n0.000000 0.000000 0.500000 Rh\n",
"nsites": 28,
"nelements": 3,
"elements": [
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"Al",
"Rh"
],
"chemical_system": "Al-Lu-Rh",
"density": 6.461380853876783,
"density_atomic": 0.0604290947306654,
"volume": 463.35296143020156,
"volume_molar": 9.965631268912588,
"formula_full": "Lu4 Al18 Rh6",
"formula_reduced": "Lu2(Al3Rh)3",
"formula_anonymous": "A2B3C9",
"energy": -152.33390014,
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"updated_at": "2021-11-28T01:36:00.022000Z",
"spacegroup": 63
},
{
"id": "mp-1178446",
"created_at": "2022-09-04T14:43:06.364690Z",
"structure_string": "Co8 P8 O32\n1.0\n5.229275 0.000000 0.000000\n0.000000 10.464678 0.000000\n0.000000 0.000000 13.471717\nCo P O\n8 8 32\ndirect\n0.928390 0.033061 0.497599 Co\n0.553129 0.215433 0.249427 Co\n0.553129 0.284567 0.749427 Co\n0.928390 0.466939 0.997599 Co\n0.071610 0.533061 0.497599 Co\n0.446871 0.715433 0.249427 Co\n0.446871 0.784567 0.749427 Co\n0.071610 0.966939 0.997599 Co\n0.435538 0.033062 0.623807 P\n0.049045 0.220217 0.872673 P\n0.049045 0.279783 0.372673 P\n0.435538 0.466938 0.123807 P\n0.564462 0.533062 0.623807 P\n0.950955 0.720217 0.872673 P\n0.950955 0.779783 0.372673 P\n0.564462 0.966938 0.123807 P\n0.851876 0.992718 0.103657 O\n0.410361 0.004175 0.029578 O\n0.487280 0.045209 0.216800 O\n0.004063 0.075684 0.891197 O\n0.482940 0.176707 0.643841 O\n0.897798 0.238027 0.279065 O\n0.960323 0.205246 0.466272 O\n0.337616 0.245426 0.855071 O\n0.337616 0.254574 0.355071 O\n0.960323 0.294754 0.966272 O\n0.897798 0.261973 0.779065 O\n0.482940 0.323293 0.143841 O\n0.004063 0.424316 0.391197 O\n0.487280 0.454791 0.716800 O\n0.410361 0.495825 0.529578 O\n0.851876 0.507282 0.603657 O\n0.148124 0.492718 0.103657 O\n0.589639 0.504175 0.029578 O\n0.512720 0.545209 0.216800 O\n0.995937 0.575684 0.891197 O\n0.517060 0.676707 0.643841 O\n0.102202 0.738027 0.279065 O\n0.039677 0.705246 0.466272 O\n0.662384 0.745426 0.855071 O\n0.662384 0.754574 0.355071 O\n0.039677 0.794754 0.966272 O\n0.102202 0.761973 0.779065 O\n0.517060 0.823293 0.143841 O\n0.995937 0.924316 0.391197 O\n0.512720 0.954791 0.716800 O\n0.589639 0.995825 0.529578 O\n0.148124 0.007282 0.603657 O\n",
"nsites": 48,
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"elements": [
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"density_atomic": 0.06511048575883531,
"volume": 737.2084456225476,
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"formula_full": "Co8 P8 O32",
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"updated_at": "2021-11-28T01:35:59.369000Z",
"spacegroup": 29
},
{
"id": "mp-1185861",
"created_at": "2022-09-04T14:43:06.365892Z",
"structure_string": "Mg1 Ga1 Pt2\n1.0\n0.000000 3.136656 3.136656\n3.136656 0.000000 3.136656\n3.136656 3.136656 0.000000\nMg Ga Pt\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Ga\n0.250000 0.250000 0.250000 Pt\n0.750000 0.750000 0.750000 Pt\n",
"nsites": 4,
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"elements": [
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"Ga",
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],
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"density": 13.026856337157996,
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"volume": 61.72067558602277,
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"formula_full": "Mg1 Ga1 Pt2",
"formula_reduced": "MgGaPt2",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:36:10.435000Z",
"spacegroup": 225
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{
"id": "mp-755996",
"created_at": "2022-09-04T14:43:06.368161Z",
"structure_string": "Li5 Fe3 Cu2 O10\n1.0\n5.114128 0.171700 0.059483\n-1.059010 5.019473 -0.161941\n-1.665262 -2.716678 7.231361\nLi Fe Cu O\n5 3 2 10\ndirect\n0.212784 0.902678 0.414480 Li\n0.383189 0.285076 0.776377 Li\n0.500000 0.500000 0.500000 Li\n0.616811 0.714924 0.223623 Li\n0.787216 0.097322 0.585520 Li\n0.000000 0.500000 0.000000 Fe\n0.687481 0.890707 0.885665 Fe\n0.312519 0.109293 0.114335 Fe\n0.096728 0.695913 0.689524 Cu\n0.903272 0.304087 0.310476 Cu\n0.048432 0.106668 0.861776 O\n0.335321 0.712103 0.945461 O\n0.135760 0.312935 0.544574 O\n0.232510 0.481810 0.232708 O\n0.448353 0.896964 0.661918 O\n0.551647 0.103036 0.338082 O\n0.767490 0.518190 0.767292 O\n0.864240 0.687065 0.455426 O\n0.664679 0.287897 0.054539 O\n0.951568 0.893332 0.138224 O\n",
"nsites": 20,
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"formula_full": "Li5 Fe3 Cu2 O10",
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},
{
"id": "mp-1218817",
"created_at": "2022-09-04T14:43:08.681132Z",
"structure_string": "Sr2 Fe1 Sn1 O6\n1.0\n0.000000 4.025632 4.025632\n4.025632 0.000000 4.025632\n4.025632 4.025632 0.000000\nSr Fe Sn O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Sr\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Sn\n0.244797 0.244797 0.755203 O\n0.755203 0.755203 0.244797 O\n0.244797 0.755203 0.244797 O\n0.755203 0.244797 0.755203 O\n0.755203 0.244797 0.244797 O\n0.244797 0.755203 0.755203 O\n",
"nsites": 10,
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"density": 5.6734675183349355,
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"volume": 130.47647366659444,
"volume_molar": 7.857476902886649,
"formula_full": "Sr2 Fe1 Sn1 O6",
"formula_reduced": "Sr2FeSnO6",
"formula_anonymous": "ABC2D6",
"energy": -69.31282784999999,
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},
{
"id": "mp-1105997",
"created_at": "2022-09-04T14:43:06.337681Z",
"structure_string": "Ca4 Ni14\n1.0\n-2.494270 -4.320202 0.000000\n-4.988539 0.000000 0.000000\n-2.494270 -1.440067 -11.950866\nCa Ni\n4 14\ndirect\n0.948594 0.948594 0.154217 Ca\n0.051406 0.051406 0.845783 Ca\n0.851833 0.851833 0.444502 Ca\n0.148167 0.148167 0.555498 Ca\n0.500000 0.500000 0.500000 Ni\n0.721787 0.721787 0.834638 Ni\n0.278213 0.278213 0.165362 Ni\n0.612266 0.612266 0.163202 Ni\n0.387734 0.387734 0.836798 Ni\n0.000000 0.500000 0.000000 Ni\n0.500000 0.000000 0.000000 Ni\n0.500000 0.500000 0.000000 Ni\n0.391553 0.391553 0.327192 Ni\n0.889703 0.391553 0.327192 Ni\n0.391553 0.889703 0.327192 Ni\n0.608447 0.608447 0.672808 Ni\n0.110297 0.608447 0.672808 Ni\n0.608447 0.110297 0.672808 Ni\n",
"nsites": 18,
"nelements": 2,
"elements": [
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],
"chemical_system": "Ca-Ni",
"density": 6.331293564592923,
"density_atomic": 0.06988688809639491,
"volume": 257.5590427659709,
"volume_molar": 8.61698227526409,
"formula_full": "Ca4 Ni14",
"formula_reduced": "Ca2Ni7",
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},
{
"id": "mp-23689",
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"structure_string": "Na4 Co2 H16 S4 O24\n1.0\n8.367137 0.000000 0.000000\n0.000000 5.579604 0.000000\n0.000000 1.894080 11.022021\nNa Co H S O\n4 2 16 4 24\ndirect\n0.929094 0.379312 0.861480 Na\n0.070906 0.620688 0.138520 Na\n0.570906 0.379312 0.361480 Na\n0.429094 0.620688 0.638520 Na\n0.500000 0.500000 0.000000 Co\n0.000000 0.500000 0.500000 Co\n0.274264 0.257702 0.513739 H\n0.774264 0.742298 0.986261 H\n0.725736 0.742298 0.486261 H\n0.225736 0.257702 0.013739 H\n0.197707 0.171986 0.639814 H\n0.697707 0.828014 0.860186 H\n0.802293 0.828014 0.360186 H\n0.302293 0.171986 0.139814 H\n0.864777 0.731227 0.654437 H\n0.364777 0.268773 0.845563 H\n0.054627 0.735904 0.681323 H\n0.554627 0.264096 0.818677 H\n0.945373 0.264096 0.318677 H\n0.445373 0.735904 0.181323 H\n0.135223 0.268773 0.345563 H\n0.635223 0.731227 0.154437 H\n0.213766 0.873921 0.864137 S\n0.286234 0.873921 0.364137 S\n0.786234 0.126079 0.135863 S\n0.713766 0.126079 0.635863 S\n0.586474 0.287228 0.577342 O\n0.086474 0.712772 0.922658 O\n0.128192 0.812708 0.423290 O\n0.913526 0.287228 0.077342 O\n0.871808 0.187292 0.576710 O\n0.371808 0.812708 0.923290 O\n0.321694 0.135248 0.373026 O\n0.821694 0.864752 0.126974 O\n0.678306 0.864752 0.626974 O\n0.413526 0.712772 0.422658 O\n0.035816 0.368903 0.337683 O\n0.535816 0.631097 0.162317 O\n0.964184 0.631097 0.662317 O\n0.464184 0.368903 0.837683 O\n0.284449 0.320458 0.078857 O\n0.784449 0.679542 0.421143 O\n0.715551 0.679542 0.921143 O\n0.215551 0.320458 0.578857 O\n0.224304 0.856948 0.731199 O\n0.724304 0.143052 0.768801 O\n0.775696 0.143052 0.268801 O\n0.275696 0.856948 0.231199 O\n0.628192 0.187292 0.076710 O\n0.178306 0.135248 0.873026 O\n",
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"elements": [
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"S",
"O"
],
"chemical_system": "Co-H-Na-O-S",
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"density_atomic": 0.09716917451106062,
"volume": 514.5664790463829,
"volume_molar": 6.197583534389818,
"formula_full": "Na4 Co2 H16 S4 O24",
"formula_reduced": "Na2CoH8(SO6)2",
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"updated_at": "2021-11-28T01:35:59.678000Z",
"spacegroup": 14
}
]
}