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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-density_atomic&page=10372",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-density_atomic&page=10370",
"results": [
{
"id": "mp-1220629",
"created_at": "2022-09-04T14:45:00.573562Z",
"structure_string": "Nd18 Ga10 Se42\n1.0\n8.227375 -9.145596 0.000000\n8.227375 9.145596 0.000000\n-1.938920 0.000000 12.147930\nNd Ga Se\n18 10 42\ndirect\n0.115549 0.881949 0.744992 Nd\n0.454788 0.221297 0.081312 Nd\n0.781955 0.551568 0.409911 Nd\n0.409911 0.781955 0.551568 Nd\n0.744992 0.115549 0.881949 Nd\n0.081312 0.454788 0.221297 Nd\n0.221297 0.081312 0.454788 Nd\n0.551568 0.409911 0.781955 Nd\n0.881949 0.744992 0.115549 Nd\n0.212930 0.445292 0.583530 Nd\n0.550103 0.783101 0.924056 Nd\n0.880335 0.112219 0.251824 Nd\n0.924056 0.550103 0.783101 Nd\n0.251824 0.880335 0.112219 Nd\n0.583530 0.212930 0.445292 Nd\n0.112219 0.251824 0.880335 Nd\n0.445292 0.583530 0.212930 Nd\n0.783101 0.924056 0.550103 Nd\n0.722169 0.388919 0.055353 Ga\n0.055353 0.722169 0.388919 Ga\n0.388919 0.055353 0.722169 Ga\n0.888330 0.222868 0.555324 Ga\n0.222868 0.555324 0.888330 Ga\n0.555324 0.888330 0.222868 Ga\n0.852946 0.852946 0.852946 Ga\n0.155248 0.155248 0.155248 Ga\n0.655040 0.655040 0.655040 Ga\n0.352949 0.352949 0.352949 Ga\n0.551695 0.394489 0.303225 Se\n0.885938 0.742423 0.653132 Se\n0.230260 0.081213 0.985220 Se\n0.985220 0.230260 0.081213 Se\n0.303225 0.551695 0.394489 Se\n0.653132 0.885938 0.742423 Se\n0.742423 0.653132 0.885938 Se\n0.081213 0.985220 0.230260 Se\n0.394489 0.303225 0.551695 Se\n0.134964 0.279248 0.367539 Se\n0.467337 0.616383 0.712751 Se\n0.781234 0.938371 0.029762 Se\n0.712751 0.467337 0.616383 Se\n0.029762 0.781234 0.938371 Se\n0.367539 0.134964 0.279248 Se\n0.938371 0.029762 0.781234 Se\n0.279248 0.367539 0.134964 Se\n0.616383 0.712751 0.467337 Se\n0.539717 0.448221 0.021178 Se\n0.873465 0.781244 0.358261 Se\n0.203934 0.110153 0.695557 Se\n0.695557 0.203934 0.110153 Se\n0.021178 0.539717 0.448221 Se\n0.358261 0.873465 0.781244 Se\n0.781244 0.358261 0.873465 Se\n0.110153 0.695557 0.203934 Se\n0.448221 0.021178 0.539717 Se\n0.968052 0.063276 0.478492 Se\n0.301667 0.393568 0.814050 Se\n0.634585 0.724904 0.153665 Se\n0.814050 0.301667 0.393568 Se\n0.153665 0.634585 0.724904 Se\n0.478492 0.968052 0.063276 Se\n0.724904 0.153665 0.634585 Se\n0.063276 0.478492 0.968052 Se\n0.393568 0.814050 0.301667 Se\n0.846629 0.516126 0.181775 Se\n0.181775 0.846629 0.516126 Se\n0.516126 0.181775 0.846629 Se\n0.681127 0.016675 0.346797 Se\n0.016675 0.346797 0.681127 Se\n0.346797 0.681127 0.016675 Se\n",
"nsites": 70,
"nelements": 3,
"elements": [
"Nd",
"Ga",
"Se"
],
"chemical_system": "Ga-Nd-Se",
"density": 6.003973945628817,
"density_atomic": 0.03829062525656347,
"volume": 1828.1237125528833,
"volume_molar": 15.727454748124634,
"formula_full": "Nd18 Ga10 Se42",
"formula_reduced": "Nd9Ga5Se21",
"formula_anonymous": "A5B9C21",
"energy": -380.83754957,
"energy_per_atom": -5.440536422428572,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -361.01354957,
"band_gap": 0.7704999999999997,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.6e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:46.976000Z",
"spacegroup": 146
},
{
"id": "mp-559233",
"created_at": "2022-09-04T14:40:38.908925Z",
"structure_string": "Se4 S16 N12 Cl20\n1.0\n18.631561 0.000000 0.000000\n0.000000 8.596121 0.000000\n0.000000 1.906893 8.479286\nSe S N Cl\n4 16 12 20\ndirect\n0.592257 0.513830 0.634285 Se\n0.407743 0.486170 0.365715 Se\n0.907743 0.513830 0.134285 Se\n0.092257 0.486170 0.865715 Se\n0.336851 0.792975 0.679082 S\n0.663149 0.207025 0.320918 S\n0.061159 0.821954 0.278092 S\n0.438841 0.821954 0.778092 S\n0.236204 0.079768 0.258971 S\n0.836851 0.207025 0.820918 S\n0.905094 0.881300 0.602317 S\n0.594906 0.881300 0.102317 S\n0.736204 0.920232 0.241029 S\n0.938841 0.178046 0.721908 S\n0.561159 0.178046 0.221908 S\n0.094906 0.118700 0.397683 S\n0.763796 0.920232 0.741029 S\n0.263796 0.079768 0.758971 S\n0.163149 0.792975 0.179082 S\n0.405094 0.118700 0.897683 S\n0.560190 0.030785 0.143746 N\n0.217158 0.927214 0.199024 N\n0.323492 0.152601 0.851694 N\n0.939810 0.030785 0.643746 N\n0.060190 0.969215 0.356254 N\n0.676508 0.847399 0.148306 N\n0.717158 0.072786 0.300976 N\n0.176508 0.152601 0.351694 N\n0.823492 0.847399 0.648306 N\n0.439810 0.969215 0.856254 N\n0.782842 0.072786 0.800976 N\n0.282842 0.927214 0.699024 N\n0.409886 0.197575 0.456032 Cl\n0.590791 0.231303 0.719728 Cl\n0.790021 0.511857 0.077385 Cl\n0.090791 0.768697 0.780272 Cl\n0.209979 0.488143 0.922615 Cl\n0.909209 0.231303 0.219728 Cl\n0.590114 0.802425 0.543968 Cl\n0.441098 0.518178 0.661157 Cl\n0.894665 0.540880 0.387835 Cl\n0.090114 0.197575 0.956032 Cl\n0.909886 0.802425 0.043968 Cl\n0.605335 0.540880 0.887835 Cl\n0.105335 0.459120 0.612165 Cl\n0.409209 0.768697 0.280272 Cl\n0.058902 0.518178 0.161157 Cl\n0.941098 0.481822 0.838843 Cl\n0.709979 0.511857 0.577385 Cl\n0.290021 0.488143 0.422615 Cl\n0.394665 0.459120 0.112165 Cl\n0.558902 0.481822 0.338843 Cl\n",
"nsites": 52,
"nelements": 4,
"elements": [
"Se",
"S",
"N",
"Cl"
],
"chemical_system": "Cl-N-S-Se",
"density": 2.086038265797029,
"density_atomic": 0.03829061104599335,
"volume": 1358.0352618959098,
"volume_molar": 15.727460584962758,
"formula_full": "Se4 S16 N12 Cl20",
"formula_reduced": "SeS4N3Cl5",
"formula_anonymous": "AB3C4D5",
"energy": -230.85211913,
"energy_per_atom": -4.439463829423077,
"energy_above_hull": null,
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"energy_uncorrected": -214.24011913,
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"is_theoretical": false,
"updated_at": "2021-11-28T01:35:06.734000Z",
"spacegroup": 14
},
{
"id": "mp-726725",
"created_at": "2022-09-04T14:47:29.109167Z",
"structure_string": "K4 Zn4 Cl12 O4\n1.0\n6.543698 0.000000 0.000000\n0.000000 8.102515 0.000000\n0.000000 0.000000 11.821786\nK Zn Cl O\n4 4 12 4\ndirect\n0.190195 0.978987 0.513613 K\n0.690195 0.521013 0.486387 K\n0.809805 0.478987 0.986387 K\n0.309805 0.021013 0.013613 K\n0.756197 0.927708 0.273107 Zn\n0.256197 0.572292 0.726893 Zn\n0.243803 0.427708 0.226893 Zn\n0.743803 0.072292 0.773107 Zn\n0.692681 0.904579 0.459491 Cl\n0.192681 0.595421 0.540509 Cl\n0.307319 0.404579 0.040509 Cl\n0.807319 0.095421 0.959491 Cl\n0.584024 0.743863 0.157258 Cl\n0.084024 0.756137 0.842742 Cl\n0.415976 0.243863 0.342742 Cl\n0.915976 0.256137 0.657258 Cl\n0.101329 0.873499 0.246367 Cl\n0.601329 0.626501 0.753633 Cl\n0.898671 0.373499 0.253633 Cl\n0.398671 0.126501 0.746367 Cl\n0.664834 0.139383 0.206597 O\n0.164834 0.360617 0.793403 O\n0.335166 0.639383 0.293403 O\n0.835166 0.860617 0.706597 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"K",
"Zn",
"Cl",
"O"
],
"chemical_system": "Cl-K-O-Zn",
"density": 2.4040956538421807,
"density_atomic": 0.03828997270088444,
"volume": 626.7959548439594,
"volume_molar": 15.727722782787199,
"formula_full": "K4 Zn4 Cl12 O4",
"formula_reduced": "KZnCl3O",
"formula_anonymous": "ABCD3",
"energy": -75.47288487,
"energy_per_atom": -3.14470353625,
"energy_above_hull": null,
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"energy_uncorrected": -72.72488487,
"band_gap": 0.9848,
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"is_theoretical": false,
"updated_at": "2021-11-28T01:38:12.476000Z",
"spacegroup": 19
},
{
"id": "mp-663190",
"created_at": "2022-09-04T14:39:32.061244Z",
"structure_string": "Rb2 Pd3 S4\n1.0\n0.000000 5.359905 6.878600\n3.187706 0.000000 6.878600\n3.187706 5.359905 0.000000\nRb Pd S\n2 3 4\ndirect\n0.838537 0.840948 0.165527 Rb\n0.148941 0.166943 0.846512 Rb\n0.991079 0.004756 0.502688 Pd\n0.498931 0.496831 0.508066 Pd\n0.506607 0.496680 0.001654 Pd\n0.226966 0.557091 0.436871 S\n0.450237 0.771418 0.213040 S\n0.564595 0.213993 0.770762 S\n0.784542 0.439550 0.561473 S\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Rb",
"Pd",
"S"
],
"chemical_system": "Pd-Rb-S",
"density": 4.36910237104185,
"density_atomic": 0.03828927175066532,
"volume": 235.05278602859858,
"volume_molar": 15.728010705493134,
"formula_full": "Rb2 Pd3 S4",
"formula_reduced": "Rb2Pd3S4",
"formula_anonymous": "A2B3C4",
"energy": -42.47844949,
"energy_per_atom": -4.719827721111112,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -40.46644949,
"band_gap": 1.1854,
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"total_magnetization": 1.39e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:32.879000Z",
"spacegroup": 8
},
{
"id": "mp-1206584",
"created_at": "2022-09-04T14:44:30.074460Z",
"structure_string": "Pr2 Sc2 Si2\n1.0\n4.692217 0.000000 0.000000\n0.000000 4.692217 0.000000\n-2.346109 -2.346109 7.117563\nPr Sc Si\n2 2 2\ndirect\n0.142556 0.142556 0.285112 Pr\n0.857444 0.857444 0.714888 Pr\n0.393753 0.393753 0.787505 Sc\n0.606248 0.606248 0.212495 Sc\n0.000000 0.500000 0.000000 Si\n0.500000 0.000000 0.000000 Si\n",
"nsites": 6,
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"elements": [
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"Sc",
"Si"
],
"chemical_system": "Pr-Sc-Si",
"density": 4.5342136780733115,
"density_atomic": 0.03828809450173388,
"volume": 156.70667548441958,
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"formula_full": "Pr2 Sc2 Si2",
"formula_reduced": "PrScSi",
"formula_anonymous": "ABC",
"energy": -34.525386129999994,
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"updated_at": "2021-11-28T01:36:42.362000Z",
"spacegroup": 139
},
{
"id": "mp-684021",
"created_at": "2022-09-04T14:42:56.640697Z",
"structure_string": "Sn8 Sb12 S26\n1.0\n1.916712 16.878150 0.000000\n-1.916712 16.878150 0.000000\n0.000000 16.652407 18.568797\nSn Sb S\n8 12 26\ndirect\n0.198276 0.198276 0.101514 Sn\n0.646282 0.646282 0.836768 Sn\n0.429044 0.429044 0.696547 Sn\n0.547782 0.547782 0.511337 Sn\n0.452218 0.452218 0.488663 Sn\n0.570956 0.570956 0.303453 Sn\n0.801724 0.801724 0.898486 Sn\n0.353718 0.353718 0.163232 Sn\n0.327939 0.327939 0.332021 Sb\n0.672061 0.672061 0.667979 Sb\n0.821324 0.821324 0.693006 Sb\n0.488642 0.488642 0.096374 Sb\n0.511358 0.511358 0.903626 Sb\n0.178676 0.178676 0.306994 Sb\n0.867597 0.867597 0.992959 Sb\n0.027362 0.027362 0.751151 Sb\n0.972638 0.972638 0.248849 Sb\n0.855906 0.855906 0.477701 Sb\n0.144094 0.144094 0.522299 Sb\n0.132403 0.132403 0.007041 Sb\n0.923635 0.923635 0.202820 S\n0.210769 0.210769 0.757555 S\n0.686353 0.686353 0.041882 S\n0.789231 0.789231 0.242445 S\n0.313647 0.313647 0.958118 S\n0.679873 0.679873 0.911009 S\n0.057740 0.057740 0.000730 S\n0.080264 0.080264 0.405651 S\n0.087866 0.087866 0.218123 S\n0.463381 0.463381 0.856321 S\n0.047488 0.047488 0.595628 S\n0.653545 0.653545 0.441231 S\n0.919736 0.919736 0.594349 S\n0.396025 0.396025 0.346095 S\n0.603975 0.603975 0.653905 S\n0.942260 0.942260 0.999270 S\n0.321766 0.321766 0.763191 S\n0.912134 0.912134 0.781877 S\n0.320127 0.320127 0.088991 S\n0.223450 0.223450 0.577686 S\n0.678234 0.678234 0.236809 S\n0.952512 0.952512 0.404372 S\n0.776550 0.776550 0.422314 S\n0.536619 0.536619 0.143679 S\n0.076365 0.076365 0.797180 S\n0.346455 0.346455 0.558769 S\n",
"nsites": 46,
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"Sb",
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],
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"density": 4.484355861288815,
"density_atomic": 0.03828797198639724,
"volume": 1201.4216897239335,
"volume_molar": 15.728544625292551,
"formula_full": "Sn8 Sb12 S26",
"formula_reduced": "Sn4Sb6S13",
"formula_anonymous": "A4B6C13",
"energy": -213.99963681,
"energy_per_atom": -4.652166017608695,
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"updated_at": "2021-11-28T01:36:02.956000Z",
"spacegroup": 12
},
{
"id": "mp-9102",
"created_at": "2022-09-04T14:41:51.440986Z",
"structure_string": "Rb1 V1 P2 S7\n1.0\n4.890551 4.340294 0.000000\n-4.890551 4.340294 0.000000\n0.000000 0.907811 6.767795\nRb V P S\n1 1 2 7\ndirect\n0.109136 0.890864 0.500000 Rb\n0.498396 0.501604 0.000000 V\n0.653678 0.948029 0.078828 P\n0.051971 0.346322 0.921172 P\n0.983463 0.016537 0.000000 S\n0.816737 0.457572 0.789229 S\n0.633257 0.688772 0.269889 S\n0.311228 0.366743 0.730111 S\n0.153195 0.473588 0.164163 S\n0.526412 0.846805 0.835837 S\n0.542428 0.183263 0.210771 S\n",
"nsites": 11,
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"elements": [
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"V",
"P",
"S"
],
"chemical_system": "P-Rb-S-V",
"density": 2.4436673702102887,
"density_atomic": 0.03828587293013371,
"volume": 287.31224230079437,
"volume_molar": 15.729406956423727,
"formula_full": "Rb1 V1 P2 S7",
"formula_reduced": "RbVP2S7",
"formula_anonymous": "ABC2D7",
"energy": -59.88801157,
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"updated_at": "2021-11-28T01:35:30.743000Z",
"spacegroup": 5
},
{
"id": "mp-867295",
"created_at": "2022-09-04T14:42:05.620816Z",
"structure_string": "Li1 Ce1 Tl2\n1.0\n0.000000 3.738220 3.738220\n3.738220 0.000000 3.738220\n3.738220 3.738220 0.000000\nLi Ce Tl\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Ce\n0.750000 0.750000 0.750000 Tl\n0.250000 0.250000 0.250000 Tl\n",
"nsites": 4,
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"elements": [
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"Ce",
"Tl"
],
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"density": 8.834083796585864,
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"volume": 104.4779315196165,
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"formula_full": "Li1 Ce1 Tl2",
"formula_reduced": "LiCeTl2",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:35:31.508000Z",
"spacegroup": 225
},
{
"id": "mp-29453",
"created_at": "2022-09-04T14:42:47.501049Z",
"structure_string": "Sm4 Cl8\n1.0\n3.532258 0.000000 0.000000\n0.000000 8.635560 0.000000\n0.000000 0.000000 10.275591\nSm Cl\n4 8\ndirect\n0.750000 0.618108 0.324239 Sm\n0.250000 0.381892 0.675761 Sm\n0.750000 0.881892 0.824239 Sm\n0.250000 0.118108 0.175761 Sm\n0.750000 0.330013 0.456917 Cl\n0.250000 0.669987 0.543083 Cl\n0.750000 0.169987 0.956917 Cl\n0.250000 0.830013 0.043083 Cl\n0.250000 0.443888 0.163911 Cl\n0.750000 0.556112 0.836089 Cl\n0.250000 0.056112 0.663911 Cl\n0.750000 0.943888 0.336089 Cl\n",
"nsites": 12,
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"elements": [
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"Cl"
],
"chemical_system": "Cl-Sm",
"density": 4.688933144311104,
"density_atomic": 0.038285252256147505,
"volume": 313.4366183540856,
"volume_molar": 15.729661958889192,
"formula_full": "Sm4 Cl8",
"formula_reduced": "SmCl2",
"formula_anonymous": "AB2",
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