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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=chemical_system&page=10123",
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"results": [
{
"id": "mp-1192910",
"created_at": "2022-09-04T14:44:41.059447Z",
"structure_string": "Lu6 Zn23\n1.0\n0.000000 6.283011 6.283011\n6.283011 0.000000 6.283011\n6.283011 6.283011 0.000000\nLu Zn\n6 23\ndirect\n0.704475 0.704475 0.295525 Lu\n0.295525 0.704475 0.295525 Lu\n0.704475 0.295525 0.295525 Lu\n0.295525 0.295525 0.704475 Lu\n0.704475 0.295525 0.704475 Lu\n0.295525 0.704475 0.704475 Lu\n0.000000 0.000000 0.000000 Zn\n0.000000 0.000000 0.500000 Zn\n0.500000 0.000000 0.500000 Zn\n0.000000 0.500000 0.500000 Zn\n0.500000 0.500000 0.000000 Zn\n0.000000 0.500000 0.000000 Zn\n0.500000 0.000000 0.000000 Zn\n0.878310 0.878310 0.365070 Zn\n0.878310 0.365070 0.878310 Zn\n0.365070 0.878310 0.878310 Zn\n0.878310 0.878310 0.878310 Zn\n0.121690 0.121690 0.634930 Zn\n0.121690 0.634930 0.121690 Zn\n0.634930 0.121690 0.121690 Zn\n0.121690 0.121690 0.121690 Zn\n0.670874 0.670874 0.987378 Zn\n0.670874 0.987378 0.670874 Zn\n0.987378 0.670874 0.670874 Zn\n0.670874 0.670874 0.670874 Zn\n0.329126 0.329126 0.012622 Zn\n0.329126 0.012622 0.329126 Zn\n0.012622 0.329126 0.329126 Zn\n0.329126 0.329126 0.329126 Zn\n",
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"formula_full": "Lu6 Zn23",
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{
"id": "mp-1024948",
"created_at": "2022-09-04T14:42:25.986087Z",
"structure_string": "Lu2 Zn4\n1.0\n-2.211906 3.473689 3.751093\n2.211906 -3.473689 3.751093\n2.211906 3.473689 -3.751093\nLu Zn\n2 4\ndirect\n0.786142 0.536142 0.250000 Lu\n0.213858 0.463858 0.750000 Lu\n0.212045 0.165682 0.046364 Zn\n0.787955 0.834318 0.953636 Zn\n0.619318 0.165682 0.453636 Zn\n0.380682 0.834318 0.546364 Zn\n",
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],
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"formula_full": "Lu2 Zn4",
"formula_reduced": "LuZn2",
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"updated_at": "2021-11-28T01:35:45.460000Z",
"spacegroup": 74
},
{
"id": "mp-1190019",
"created_at": "2022-09-04T14:48:06.218684Z",
"structure_string": "Lu4 Zn12\n1.0\n4.337761 0.000000 0.000000\n0.000000 6.606830 0.000000\n0.000000 0.000000 9.969089\nLu Zn\n4 12\ndirect\n0.250000 0.279730 0.664229 Lu\n0.250000 0.779730 0.835771 Lu\n0.750000 0.720270 0.335771 Lu\n0.750000 0.220270 0.164229 Lu\n0.250000 0.536222 0.103174 Zn\n0.250000 0.036222 0.396826 Zn\n0.750000 0.463778 0.896826 Zn\n0.750000 0.963778 0.603174 Zn\n0.250000 0.919283 0.148675 Zn\n0.250000 0.419283 0.351325 Zn\n0.750000 0.080717 0.851325 Zn\n0.750000 0.580717 0.648675 Zn\n0.250000 0.216736 0.957071 Zn\n0.250000 0.716736 0.542929 Zn\n0.750000 0.783264 0.042929 Zn\n0.750000 0.283264 0.457071 Zn\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Lu",
"Zn"
],
"chemical_system": "Lu-Zn",
"density": 8.62970224511157,
"density_atomic": 0.05600228630302145,
"volume": 285.7026213791697,
"volume_molar": 10.753383759039659,
"formula_full": "Lu4 Zn12",
"formula_reduced": "LuZn3",
"formula_anonymous": "AB3",
"energy": -38.65023309,
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"updated_at": "2021-11-28T01:38:31.158000Z",
"spacegroup": 62
},
{
"id": "mp-1222252",
"created_at": "2022-09-04T14:43:34.403392Z",
"structure_string": "Lu1 Zr1\n1.0\n1.688268 -2.924166 0.000000\n1.688268 2.924166 0.000000\n0.000000 0.000000 5.282854\nLu Zr\n1 1\ndirect\n0.333333 0.666667 0.000000 Lu\n0.666667 0.333333 0.500000 Zr\n",
"nsites": 2,
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"density": 8.4742339438771,
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"volume": 52.160532456941944,
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"formula_full": "Lu1 Zr1",
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"energy": -12.98890648,
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"band_gap": 0.0,
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"total_magnetization": 0.0378413,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:14.461000Z",
"spacegroup": 187
},
{
"id": "mp-1185530",
"created_at": "2022-09-04T14:42:26.133974Z",
"structure_string": "Lu2 Zr6\n1.0\n3.301554 -5.718460 0.000000\n3.301554 5.718460 0.000000\n0.000000 0.000000 5.233467\nLu Zr\n2 6\ndirect\n0.333333 0.666667 0.750000 Lu\n0.666667 0.333333 0.250000 Lu\n0.163849 0.327699 0.250000 Zr\n0.672301 0.836151 0.250000 Zr\n0.163849 0.836151 0.250000 Zr\n0.836151 0.672301 0.750000 Zr\n0.327699 0.163849 0.750000 Zr\n0.836151 0.163849 0.750000 Zr\n",
"nsites": 8,
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"elements": [
"Lu",
"Zr"
],
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"density": 7.539788069698728,
"density_atomic": 0.04048302984982194,
"volume": 197.61366749665817,
"volume_molar": 14.875716522058903,
"formula_full": "Lu2 Zr6",
"formula_reduced": "LuZr3",
"formula_anonymous": "AB3",
"energy": -60.26339567,
"energy_per_atom": -7.53292445875,
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"updated_at": "2021-11-28T01:35:45.470000Z",
"spacegroup": 194
},
{
"id": "mp-1056702",
"created_at": "2022-09-04T14:44:07.550735Z",
"structure_string": "Mg1\n1.0\n0.000000 2.252800 2.252800\n2.252800 0.000000 2.252800\n2.252800 2.252800 0.000000\nMg\n1\ndirect\n0.000000 0.000000 0.000000 Mg\n",
"nsites": 1,
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"elements": [
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"density": 1.765008555285139,
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"updated_at": "2021-11-28T01:36:33.591000Z",
"spacegroup": 225
},
{
"id": "mp-1055956",
"created_at": "2022-09-04T14:47:29.168069Z",
"structure_string": "Mg1\n1.0\n1.527549 -2.645793 0.000000\n1.527549 2.645793 0.000000\n0.000000 0.000000 3.159751\nMg\n1\ndirect\n0.000000 0.000000 0.000000 Mg\n",
"nsites": 1,
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"updated_at": "2021-11-28T01:38:09.337000Z",
"spacegroup": 191
},
{
"id": "mp-973364",
"created_at": "2022-09-04T14:46:27.800739Z",
"structure_string": "Mg4\n1.0\n1.601858 -2.774500 0.000000\n1.601858 2.774500 0.000000\n0.000000 0.000000 10.321287\nMg\n4\ndirect\n0.000000 0.000000 0.000000 Mg\n0.333333 0.666667 0.250000 Mg\n0.000000 0.000000 0.500000 Mg\n0.666667 0.333333 0.750000 Mg\n",
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"updated_at": "2021-11-28T01:37:43.165000Z",
"spacegroup": 194
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{
"id": "mp-1056351",
"created_at": "2022-09-04T14:46:26.270611Z",
"structure_string": "Mg1\n1.0\n-1.825264 1.825264 1.700467\n1.825264 -1.825264 1.700467\n1.825264 1.825264 -1.700467\nMg\n1\ndirect\n0.000000 0.000000 0.000000 Mg\n",
"nsites": 1,
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"updated_at": "2021-11-28T01:37:37.534000Z",
"spacegroup": 139
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{
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"created_at": "2022-09-04T14:40:57.406985Z",
"structure_string": "Mg1\n1.0\n-1.789645 1.789645 1.789645\n1.789645 -1.789645 1.789645\n1.789645 1.789645 -1.789645\nMg\n1\ndirect\n0.000000 0.000000 0.000000 Mg\n",
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{
"id": "mp-1094122",
"created_at": "2022-09-04T14:45:20.060288Z",
"structure_string": "Mg3\n1.0\n7.698262 -1.605623 0.000000\n7.698262 1.605623 0.000000\n7.363377 0.000000 2.760785\nMg\n3\ndirect\n0.000000 0.000000 0.000000 Mg\n0.222208 0.222208 0.222208 Mg\n0.777792 0.777792 0.777792 Mg\n",
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"energy": -4.79068775,
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},
{
"id": "mp-1247180",
"created_at": "2022-09-04T14:43:24.987593Z",
"structure_string": "Mg10\n1.0\n3.421369 -0.013175 0.000664\n-0.013772 5.102642 -0.012034\n0.001858 -0.033979 14.595693\nMg\n10\ndirect\n0.518609 0.010102 0.168218 Mg\n0.018543 0.989977 0.331772 Mg\n0.018592 0.990607 0.668250 Mg\n0.518583 0.009373 0.831729 Mg\n0.018722 0.509226 0.850146 Mg\n0.518430 0.490758 0.649919 Mg\n0.518377 0.490287 0.350614 Mg\n0.518347 0.979160 0.500073 Mg\n0.018698 0.020733 0.999915 Mg\n0.018811 0.509792 0.149372 Mg\n",
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"updated_at": "2021-11-28T01:36:17.732000Z",
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}
]
}