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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy_uncorrected&page=10151",
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"results": [
{
"id": "mp-30207",
"created_at": "2022-09-04T14:41:31.844763Z",
"structure_string": "La3 Ga1 Br3\n1.0\n6.144852 0.000000 0.000000\n0.000000 6.144852 0.000000\n0.000000 0.000000 6.144852\nLa Ga Br\n3 1 3\ndirect\n0.000000 0.500000 0.500000 La\n0.500000 0.000000 0.500000 La\n0.500000 0.500000 0.000000 La\n0.500000 0.500000 0.500000 Ga\n0.000000 0.000000 0.500000 Br\n0.500000 0.000000 0.000000 Br\n0.000000 0.500000 0.000000 Br\n",
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"spacegroup": 221
},
{
"id": "mp-1186381",
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"structure_string": "Pa3 Al1\n1.0\n4.527572 0.000000 0.000000\n0.000000 4.527572 0.000000\n0.000000 0.000000 4.527572\nPa Al\n3 1\ndirect\n0.000000 0.500000 0.500000 Pa\n0.500000 0.000000 0.500000 Pa\n0.500000 0.500000 0.000000 Pa\n0.000000 0.000000 0.000000 Al\n",
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"updated_at": "2021-11-28T01:38:41.601000Z",
"spacegroup": 221
},
{
"id": "mp-1185895",
"created_at": "2022-09-04T14:46:29.109369Z",
"structure_string": "Mg1 Mo3\n1.0\n0.000000 3.188515 3.188515\n3.188515 0.000000 3.188515\n3.188515 3.188515 0.000000\nMg Mo\n1 3\ndirect\n0.000000 0.000000 0.000000 Mg\n0.250000 0.250000 0.250000 Mo\n0.500000 0.500000 0.500000 Mo\n0.750000 0.750000 0.750000 Mo\n",
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"density": 7.9943335391247885,
"density_atomic": 0.06169707889036204,
"volume": 64.83289115045699,
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"formula_full": "Mg1 Mo3",
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"total_magnetization": 0.0008344,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:41.631000Z",
"spacegroup": 225
},
{
"id": "mp-1026904",
"created_at": "2022-09-04T14:40:31.707362Z",
"structure_string": "Mg14 Cu1 C1\n1.0\n6.338361 -0.208682 0.000000\n-3.349904 5.802204 0.000000\n0.000000 0.000000 9.314624\nMg Cu C\n14 1 1\ndirect\n0.183658 0.341828 0.625000 Mg\n0.178978 0.839489 0.625000 Mg\n0.789725 0.406985 0.125000 Mg\n0.654113 0.327952 0.625000 Mg\n0.789725 0.882739 0.125000 Mg\n0.654113 0.826160 0.625000 Mg\n0.303953 0.124761 0.305219 Mg\n0.303953 0.124761 0.944781 Mg\n0.303953 0.679194 0.305219 Mg\n0.303953 0.679194 0.944781 Mg\n0.825920 0.162961 0.375734 Mg\n0.825920 0.162961 0.874266 Mg\n0.817083 0.658542 0.376734 Mg\n0.817083 0.658542 0.873266 Mg\n0.158199 0.329099 0.125000 Cu\n0.089669 0.794834 0.125000 C\n",
"nsites": 16,
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"elements": [
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"Cu",
"C"
],
"chemical_system": "C-Cu-Mg",
"density": 2.0547591471747304,
"density_atomic": 0.047612330103709036,
"volume": 336.04740547561624,
"volume_molar": 12.648279861293474,
"formula_full": "Mg14 Cu1 C1",
"formula_reduced": "Mg14CuC",
"formula_anonymous": "ABC14",
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"total_magnetization": 2.43e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:05.079000Z",
"spacegroup": 38
},
{
"id": "mp-1026512",
"created_at": "2022-09-04T14:41:17.645420Z",
"structure_string": "Mg14 Nb1 Cd1\n1.0\n6.367560 0.000000 0.000000\n-3.183780 5.514468 0.000000\n0.000000 0.000000 10.012387\nMg Nb Cd\n14 1 1\ndirect\n0.170063 0.835031 0.125000 Mg\n0.165737 0.832868 0.625000 Mg\n0.664969 0.329937 0.125000 Mg\n0.667132 0.334263 0.625000 Mg\n0.664969 0.835031 0.125000 Mg\n0.667132 0.832868 0.625000 Mg\n0.327695 0.172305 0.370669 Mg\n0.327695 0.172305 0.879331 Mg\n0.327695 0.655391 0.370669 Mg\n0.327695 0.655391 0.879331 Mg\n0.844609 0.172305 0.370669 Mg\n0.844609 0.172305 0.879331 Mg\n0.833333 0.666667 0.372572 Mg\n0.833333 0.666667 0.877428 Mg\n0.166667 0.333333 0.125000 Nb\n0.166667 0.333333 0.625000 Cd\n",
"nsites": 16,
"nelements": 3,
"elements": [
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"Nb",
"Cd"
],
"chemical_system": "Cd-Mg-Nb",
"density": 2.576909218221639,
"density_atomic": 0.045509879772468745,
"volume": 351.57201205526405,
"volume_molar": 13.232600899207606,
"formula_full": "Mg14 Nb1 Cd1",
"formula_reduced": "Mg14NbCd",
"formula_anonymous": "ABC14",
"energy": -32.6615521,
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"total_magnetization": 4.6e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:18.337000Z",
"spacegroup": 187
},
{
"id": "mp-21287",
"created_at": "2022-09-04T14:41:17.859157Z",
"structure_string": "Gd1 Si2 Ag2\n1.0\n-2.098178 2.098178 5.379813\n2.098178 -2.098178 5.379813\n2.098178 2.098178 -5.379813\nGd Si Ag\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Gd\n0.607157 0.607157 0.000000 Si\n0.392843 0.392843 0.000000 Si\n0.750000 0.250000 0.500000 Ag\n0.250000 0.750000 0.500000 Ag\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Gd",
"Si",
"Ag"
],
"chemical_system": "Ag-Gd-Si",
"density": 7.522355839884725,
"density_atomic": 0.052778637546793766,
"volume": 94.73529883311176,
"volume_molar": 11.410186090273257,
"formula_full": "Gd1 Si2 Ag2",
"formula_reduced": "Gd(SiAg)2",
"formula_anonymous": "AB2C2",
"energy": -32.518793599999995,
"energy_per_atom": -6.503758719999999,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:35:17.897000Z",
"spacegroup": 139
},
{
"id": "mp-1021494",
"created_at": "2022-09-04T14:41:24.639727Z",
"structure_string": "Cd5 S4 Cl2\n1.0\n2.135053 7.289321 0.000000\n-2.135053 7.289321 0.000000\n0.000000 1.623479 9.714400\nCd S Cl\n5 4 2\ndirect\n0.450185 0.450185 0.922712 Cd\n0.160537 0.160537 0.995249 Cd\n0.164514 0.164514 0.619751 Cd\n0.545603 0.545603 0.336455 Cd\n0.815268 0.815268 0.265328 Cd\n0.038925 0.038925 0.836972 S\n0.404945 0.404945 0.185052 S\n0.675027 0.675027 0.125019 S\n0.689482 0.689482 0.485429 S\n0.304319 0.304319 0.795288 Cl\n0.973115 0.973115 0.464414 Cl\n",
"nsites": 11,
"nelements": 3,
"elements": [
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"S",
"Cl"
],
"chemical_system": "Cd-Cl-S",
"density": 4.180402940707324,
"density_atomic": 0.03637901798068249,
"volume": 302.3720982749198,
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"formula_full": "Cd5 S4 Cl2",
"formula_reduced": "Cd5(S2Cl)2",
"formula_anonymous": "A2B4C5",
"energy": -35.90039223,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:20.612000Z",
"spacegroup": 8
},
{
"id": "mp-1017080",
"created_at": "2022-09-04T14:42:41.650003Z",
"structure_string": "Cs2 Mg12 Cr2\n1.0\n5.243903 0.000000 0.000000\n0.000000 6.960209 0.000000\n0.000000 0.000000 12.255515\nCs Mg Cr\n2 12 2\ndirect\n0.000000 0.500000 0.335299 Cs\n0.000000 0.000000 0.835299 Cs\n0.000000 0.271933 0.086020 Mg\n0.000000 0.728067 0.086020 Mg\n0.000000 0.000000 0.329492 Mg\n0.500000 0.784732 0.431633 Mg\n0.500000 0.215268 0.431633 Mg\n0.500000 0.000000 0.166381 Mg\n0.000000 0.771933 0.586020 Mg\n0.000000 0.228067 0.586020 Mg\n0.000000 0.500000 0.829492 Mg\n0.500000 0.284732 0.931633 Mg\n0.500000 0.715268 0.931633 Mg\n0.500000 0.500000 0.666381 Mg\n0.500000 0.500000 0.133522 Cr\n0.500000 0.000000 0.633522 Cr\n",
"nsites": 16,
"nelements": 3,
"elements": [
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"Mg",
"Cr"
],
"chemical_system": "Cr-Cs-Mg",
"density": 2.455535547817729,
"density_atomic": 0.03576938609044116,
"volume": 447.3098855972751,
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"formula_full": "Cs2 Mg12 Cr2",
"formula_reduced": "CsMg6Cr",
"formula_anonymous": "ABC6",
"energy": -32.65951907,
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"updated_at": "2021-11-28T01:35:52.089000Z",
"spacegroup": 38
},
{
"id": "mp-21027",
"created_at": "2022-09-04T14:39:06.384013Z",
"structure_string": "Ca2 In4 Pt2\n1.0\n2.225876 -5.266163 0.000000\n2.225876 5.266163 0.000000\n0.000000 0.000000 7.958230\nCa In Pt\n2 4 2\ndirect\n0.932765 0.067235 0.750000 Ca\n0.067235 0.932765 0.250000 Ca\n0.643954 0.356046 0.948545 In\n0.643954 0.356046 0.551455 In\n0.356046 0.643954 0.051455 In\n0.356046 0.643954 0.448545 In\n0.217344 0.782656 0.750000 Pt\n0.782656 0.217344 0.250000 Pt\n",
"nsites": 8,
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],
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"density": 8.273734821960552,
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"volume": 186.56997201045334,
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"formula_full": "Ca2 In4 Pt2",
"formula_reduced": "CaIn2Pt",
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"updated_at": "2021-11-28T01:34:41.809000Z",
"spacegroup": 63
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{
"id": "mp-1111708",
"created_at": "2022-09-04T14:46:26.446240Z",
"structure_string": "Cs1 Rb2 Ga1 Cl6\n1.0\n0.000000 5.626101 5.626101\n5.626101 0.000000 5.626101\n5.626101 5.626101 0.000000\nCs Rb Ga Cl\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 Cs\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Ga\n0.787036 0.212964 0.212964 Cl\n0.212964 0.212964 0.787036 Cl\n0.212964 0.787036 0.787036 Cl\n0.212964 0.787036 0.212964 Cl\n0.787036 0.212964 0.787036 Cl\n0.787036 0.787036 0.212964 Cl\n",
"nsites": 10,
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"elements": [
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"density_atomic": 0.028076788546209118,
"volume": 356.16609013320306,
"volume_molar": 21.44882328720996,
"formula_full": "Cs1 Rb2 Ga1 Cl6",
"formula_reduced": "CsRb2GaCl6",
"formula_anonymous": "ABC2D6",
"energy": -36.34215759,
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"updated_at": "2021-11-28T01:37:34.898000Z",
"spacegroup": 225
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{
"id": "mp-27246",
"created_at": "2022-09-04T14:46:20.877899Z",
"structure_string": "Lu2 S2 Br2\n1.0\n3.957289 0.000000 0.000000\n0.000000 5.271898 0.000000\n0.000000 0.000000 9.741302\nLu S Br\n2 2 2\ndirect\n0.000000 0.000000 0.114166 Lu\n0.500000 0.500000 0.885834 Lu\n0.500000 0.000000 0.927730 S\n0.000000 0.500000 0.072270 S\n0.000000 0.500000 0.686776 Br\n0.500000 0.000000 0.313224 Br\n",
"nsites": 6,
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"elements": [
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],
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"density": 4.689022951448475,
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"volume": 203.22717229044608,
"volume_molar": 20.39771062983063,
"formula_full": "Lu2 S2 Br2",
"formula_reduced": "LuSBr",
"formula_anonymous": "ABC",
"energy": -34.72923794,
"energy_per_atom": -5.788206323333333,
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"updated_at": "2021-11-28T01:37:29.197000Z",
"spacegroup": 59
},
{
"id": "mp-1069898",
"created_at": "2022-09-04T14:43:11.077618Z",
"structure_string": "La1 Ge3 Os1\n1.0\n-2.234545 2.234545 5.098634\n2.234545 -2.234545 5.098634\n2.234545 2.234545 -5.098634\nLa Ge Os\n1 3 1\ndirect\n0.000348 0.000348 0.000000 La\n0.423600 0.423600 0.000000 Ge\n0.260123 0.760123 0.500000 Ge\n0.760123 0.260123 0.500000 Ge\n0.657806 0.657806 0.000000 Os\n",
"nsites": 5,
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"density": 8.920484094881619,
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"volume": 101.83382088573518,
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"formula_full": "La1 Ge3 Os1",
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"formula_anonymous": "ABC3",
"energy": -32.65478939,
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"updated_at": "2021-11-28T01:36:05.604000Z",
"spacegroup": 107
}
]
}