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{
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"results": [
{
"id": "mp-1111213",
"created_at": "2022-09-04T14:48:10.071928Z",
"structure_string": "K2 Rb1 Ga1 Br6\n1.0\n0.000000 5.783313 5.783313\n5.783313 0.000000 5.783313\n5.783313 5.783313 0.000000\nK Rb Ga Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Ga\n0.778387 0.221613 0.221613 Br\n0.221613 0.221613 0.778387 Br\n0.221613 0.778387 0.778387 Br\n0.221613 0.778387 0.221613 Br\n0.778387 0.221613 0.778387 Br\n0.778387 0.778387 0.221613 Br\n",
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{
"id": "mp-978552",
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"structure_string": "Si1 Rh3\n1.0\n-1.933568 1.933568 3.669344\n1.933568 -1.933568 3.669344\n1.933568 1.933568 -3.669344\nSi Rh\n1 3\ndirect\n0.000000 0.000000 0.000000 Si\n0.750000 0.250000 0.500000 Rh\n0.250000 0.750000 0.500000 Rh\n0.500000 0.500000 0.000000 Rh\n",
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"updated_at": "2021-11-28T01:35:42.621000Z",
"spacegroup": 139
},
{
"id": "mp-1019275",
"created_at": "2022-09-04T14:44:59.081105Z",
"structure_string": "Tb2 Cu2 Sn2\n1.0\n2.272245 -3.935644 0.000000\n2.272245 3.935644 0.000000\n0.000000 0.000000 7.524396\nTb Cu Sn\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Tb\n0.000000 0.000000 0.000000 Tb\n0.333333 0.666667 0.250000 Cu\n0.666667 0.333333 0.750000 Cu\n0.333333 0.666667 0.750000 Sn\n0.666667 0.333333 0.250000 Sn\n",
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"volume": 134.57754554287885,
"volume_molar": 13.507415373242116,
"formula_full": "Tb2 Cu2 Sn2",
"formula_reduced": "TbCuSn",
"formula_anonymous": "ABC",
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"energy_per_atom": -4.814904871666667,
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"updated_at": "2021-11-28T01:36:49.258000Z",
"spacegroup": 194
},
{
"id": "mp-1220308",
"created_at": "2022-09-04T14:45:19.227136Z",
"structure_string": "Nd2 Si3\n1.0\n-1.972163 2.106005 7.078252\n1.972163 -2.106005 7.078252\n1.972163 2.106005 -7.078252\nNd Si\n2 3\ndirect\n0.126547 0.626547 0.500000 Nd\n0.373110 0.373110 0.000000 Nd\n0.963930 0.963930 0.000000 Si\n0.701873 0.201873 0.500000 Si\n0.798541 0.798541 0.000000 Si\n",
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"volume": 117.59482666235023,
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"formula_full": "Nd2 Si3",
"formula_reduced": "Nd2Si3",
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"energy": -28.6766771,
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"updated_at": "2021-11-28T01:37:01.569000Z",
"spacegroup": 44
},
{
"id": "mp-684",
"created_at": "2022-09-04T14:42:58.650325Z",
"structure_string": "Ba2 S4\n1.0\n2.418756 4.669091 0.000000\n-2.418756 4.669091 0.000000\n0.000000 4.256901 8.065489\nBa S\n2 4\ndirect\n0.141038 0.858962 0.750000 Ba\n0.858962 0.141038 0.250000 Ba\n0.483196 0.194678 0.020116 S\n0.805322 0.516804 0.479884 S\n0.194678 0.483196 0.520116 S\n0.516804 0.805322 0.979884 S\n",
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"density": 3.6726230750442492,
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"volume": 182.17345581318912,
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"formula_full": "Ba2 S4",
"formula_reduced": "BaS2",
"formula_anonymous": "AB2",
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"updated_at": "2021-11-28T01:36:02.950000Z",
"spacegroup": 15
},
{
"id": "mp-33056",
"created_at": "2022-09-04T14:47:15.006503Z",
"structure_string": "Rb6 C5\n1.0\n3.918567 -6.787157 0.000000\n3.918567 6.787157 0.000000\n0.000000 0.000000 7.931090\nRb C\n6 5\ndirect\n0.000000 0.618502 0.500000 Rb\n0.381498 0.381498 0.500000 Rb\n0.000000 0.361731 0.000000 Rb\n0.638269 0.638269 0.000000 Rb\n0.361731 0.000000 0.000000 Rb\n0.618502 0.000000 0.500000 Rb\n0.333333 0.666667 0.757050 C\n0.000000 0.000000 0.500000 C\n0.666667 0.333333 0.242950 C\n0.666667 0.333333 0.757050 C\n0.333333 0.666667 0.242950 C\n",
"nsites": 11,
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"elements": [
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"C"
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"density": 2.2548610127037136,
"density_atomic": 0.026074418945026583,
"volume": 421.8694201083293,
"volume_molar": 23.095973002108487,
"formula_full": "Rb6 C5",
"formula_reduced": "Rb6C5",
"formula_anonymous": "A5B6",
"energy": -28.89169311,
"energy_per_atom": -2.6265175554545452,
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"updated_at": "2021-11-28T01:37:58.736000Z",
"spacegroup": 189
},
{
"id": "mp-7002",
"created_at": "2022-09-04T14:48:03.480694Z",
"structure_string": "Na1 Ti1 O2\n1.0\n5.561451 -1.518681 0.000000\n5.561451 1.518681 0.000000\n5.146740 0.000000 2.597535\nNa Ti O\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Ti\n0.764814 0.764814 0.764814 O\n0.235186 0.235186 0.235186 O\n",
"nsites": 4,
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"Ti",
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"density": 3.892519807595118,
"density_atomic": 0.0911620143259849,
"volume": 43.87792469894817,
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"formula_full": "Na1 Ti1 O2",
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"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:38:26.413000Z",
"spacegroup": 166
},
{
"id": "mp-1112200",
"created_at": "2022-09-04T14:39:14.164361Z",
"structure_string": "K2 In1 Hg1 Cl6\n1.0\n0.000000 5.388997 5.388997\n5.388997 0.000000 5.388997\n5.388997 5.388997 0.000000\nK In Hg Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 Hg\n0.760945 0.239055 0.239055 Cl\n0.239055 0.239055 0.760945 Cl\n0.239055 0.760945 0.760945 Cl\n0.239055 0.760945 0.239055 Cl\n0.760945 0.239055 0.760945 Cl\n0.760945 0.760945 0.239055 Cl\n",
"nsites": 10,
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"elements": [
"K",
"In",
"Hg",
"Cl"
],
"chemical_system": "Cl-Hg-In-K",
"density": 3.216614628495683,
"density_atomic": 0.03194818413526113,
"volume": 313.006834994513,
"volume_molar": 18.849712191790513,
"formula_full": "K2 In1 Hg1 Cl6",
"formula_reduced": "K2InHgCl6",
"formula_anonymous": "ABC2D6",
"energy": -32.57685982,
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"updated_at": "2021-11-28T01:34:41.134000Z",
"spacegroup": 225
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{
"id": "mp-973101",
"created_at": "2022-09-04T14:44:22.889086Z",
"structure_string": "La1 Ho1 Ru2\n1.0\n0.000000 3.476238 3.476238\n3.476238 0.000000 3.476238\n3.476238 3.476238 0.000000\nLa Ho Ru\n1 1 2\ndirect\n0.000000 0.000000 0.000000 La\n0.500000 0.500000 0.500000 Ho\n0.250000 0.250000 0.250000 Ru\n0.750000 0.750000 0.750000 Ru\n",
"nsites": 4,
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"density": 10.000468147094594,
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"volume": 84.01532345192221,
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"formula_full": "La1 Ho1 Ru2",
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{
"id": "mp-1221618",
"created_at": "2022-09-04T14:42:14.833085Z",
"structure_string": "Mn1 Be4 Al1\n1.0\n0.000000 3.036510 3.036510\n3.036510 0.000000 3.036510\n3.036510 3.036510 0.000000\nMn Be Al\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.626583 0.626583 0.120251 Be\n0.626583 0.120251 0.626583 Be\n0.120251 0.626583 0.626583 Be\n0.626583 0.626583 0.626583 Be\n0.250000 0.250000 0.250000 Al\n",
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{
"id": "mp-1179013",
"created_at": "2022-09-04T14:41:07.300147Z",
"structure_string": "Ti2 Ni2\n1.0\n2.799886 0.000000 0.000000\n0.001309 0.008133 -4.171082\n-0.451859 4.649072 0.000000\nTi Ni\n2 2\ndirect\n0.564608 0.250447 0.288322 Ti\n0.435392 0.749553 0.711678 Ti\n0.020959 0.750540 0.178047 Ni\n0.979041 0.249460 0.821953 Ni\n",
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{
"id": "mp-1099096",
"created_at": "2022-09-04T14:46:00.859253Z",
"structure_string": "Ce1 Mg14 Cd1\n1.0\n3.226990 -5.614639 0.000000\n3.226990 5.614639 0.000000\n0.000000 0.000000 10.301429\nCe Mg Cd\n1 14 1\ndirect\n0.832717 0.167283 0.500000 Ce\n0.833348 0.166652 0.000000 Mg\n0.333451 0.666549 0.000000 Mg\n0.336814 0.173334 0.500000 Mg\n0.333410 0.166947 0.000000 Mg\n0.826666 0.663186 0.500000 Mg\n0.833053 0.666590 0.000000 Mg\n0.169184 0.334363 0.246616 Mg\n0.169184 0.334363 0.753384 Mg\n0.665637 0.830816 0.246616 Mg\n0.665637 0.830816 0.753384 Mg\n0.665508 0.334492 0.245943 Mg\n0.665508 0.334492 0.754057 Mg\n0.166720 0.833280 0.253356 Mg\n0.166720 0.833280 0.746644 Mg\n0.336453 0.663547 0.500000 Cd\n",
"nsites": 16,
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"elements": [
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"chemical_system": "Cd-Ce-Mg",
"density": 2.6369880864307103,
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"volume": 373.2904908173711,
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"formula_full": "Ce1 Mg14 Cd1",
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"updated_at": "2021-11-28T01:37:18.882000Z",
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}
]
}