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{
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"results": [
{
"id": "mp-1096897",
"created_at": "2022-09-04T14:42:20.204926Z",
"structure_string": "Ce2 Cu2 Pb2\n1.0\n2.358670 -4.085337 0.000000\n2.358670 4.085337 0.000000\n0.000000 0.000000 7.469131\nCe Cu Pb\n2 2 2\ndirect\n0.000000 0.000000 0.012819 Ce\n0.000000 0.000000 0.512819 Ce\n0.666667 0.333333 0.324469 Cu\n0.333333 0.666667 0.824469 Cu\n0.666667 0.333333 0.744012 Pb\n0.333333 0.666667 0.244012 Pb\n",
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{
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"created_at": "2022-09-04T14:45:31.189211Z",
"structure_string": "Cu1 Ge2 P3\n1.0\n1.931443 -3.345358 0.000000\n1.931443 3.345358 0.000000\n0.000000 0.000000 9.319953\nCu Ge P\n1 2 3\ndirect\n0.000000 0.000000 0.980052 Cu\n0.666667 0.333333 0.326846 Ge\n0.333333 0.666667 0.692943 Ge\n0.000000 0.000000 0.226933 P\n0.666667 0.333333 0.586388 P\n0.333333 0.666667 0.936837 P\n",
"nsites": 6,
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"elements": [
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"total_magnetization": 2.74e-05,
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"updated_at": "2021-11-28T01:37:01.657000Z",
"spacegroup": 156
},
{
"id": "mp-2968",
"created_at": "2022-09-04T14:40:30.187668Z",
"structure_string": "Sr1 Mn2 Sb2\n1.0\n2.277258 -3.944326 0.000000\n2.277258 3.944326 0.000000\n0.000000 0.000000 7.895520\nSr Mn Sb\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.666667 0.333333 0.379825 Mn\n0.333333 0.666667 0.620175 Mn\n0.666667 0.333333 0.731808 Sb\n0.333333 0.666667 0.268192 Sb\n",
"nsites": 5,
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"elements": [
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],
"chemical_system": "Mn-Sb-Sr",
"density": 5.163066985049941,
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"volume": 141.83903648058094,
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"formula_full": "Sr1 Mn2 Sb2",
"formula_reduced": "Sr(MnSb)2",
"formula_anonymous": "AB2C2",
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"updated_at": "2021-11-28T01:35:05.634000Z",
"spacegroup": 164
},
{
"id": "mp-1028117",
"created_at": "2022-09-04T14:40:12.308238Z",
"structure_string": "Rb1 Mg14 Mn1\n1.0\n6.514293 -0.005079 0.000000\n-3.261545 5.649161 0.000000\n0.000000 0.000000 10.510614\nRb Mg Mn\n1 14 1\ndirect\n0.163689 0.831844 0.125000 Rb\n0.164399 0.332199 0.625000 Mg\n0.168559 0.834279 0.625000 Mg\n0.659372 0.335604 0.125000 Mg\n0.666033 0.330615 0.625000 Mg\n0.659372 0.823767 0.125000 Mg\n0.666033 0.835416 0.625000 Mg\n0.337528 0.181753 0.385142 Mg\n0.337528 0.181753 0.864858 Mg\n0.337528 0.655775 0.385142 Mg\n0.337528 0.655775 0.864858 Mg\n0.839699 0.169850 0.364972 Mg\n0.839699 0.169850 0.885028 Mg\n0.821134 0.660568 0.392446 Mg\n0.821134 0.660568 0.857554 Mg\n0.180768 0.340383 0.125000 Mn\n",
"nsites": 16,
"nelements": 3,
"elements": [
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"Mg",
"Mn"
],
"chemical_system": "Mg-Mn-Rb",
"density": 2.0645129284229493,
"density_atomic": 0.041384355263699386,
"volume": 386.6195304493369,
"volume_molar": 14.55173270581883,
"formula_full": "Rb1 Mg14 Mn1",
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"formula_anonymous": "ABC14",
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"updated_at": "2021-11-28T01:34:54.927000Z",
"spacegroup": 38
},
{
"id": "mp-20774",
"created_at": "2022-09-04T14:45:57.234715Z",
"structure_string": "Nd2 Cu2 Sn2\n1.0\n2.310283 -4.001528 0.000000\n2.310283 4.001528 0.000000\n0.000000 0.000000 7.635243\nNd Cu Sn\n2 2 2\ndirect\n0.000000 0.000000 0.492199 Nd\n0.000000 0.000000 0.992199 Nd\n0.666667 0.333333 0.299280 Cu\n0.333333 0.666667 0.799280 Cu\n0.333333 0.666667 0.224522 Sn\n0.666667 0.333333 0.724522 Sn\n",
"nsites": 6,
"nelements": 3,
"elements": [
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"Cu",
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"chemical_system": "Cu-Nd-Sn",
"density": 7.680963771648889,
"density_atomic": 0.04250180248085606,
"volume": 141.17048336250113,
"volume_molar": 14.169142032770333,
"formula_full": "Nd2 Cu2 Sn2",
"formula_reduced": "NdCuSn",
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"updated_at": "2021-11-28T01:37:11.924000Z",
"spacegroup": 186
},
{
"id": "mp-866138",
"created_at": "2022-09-04T14:41:00.864163Z",
"structure_string": "Lu1 Sb1 Ru2\n1.0\n0.000000 3.252851 3.252851\n3.252851 0.000000 3.252851\n3.252851 3.252851 0.000000\nLu Sb Ru\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Lu\n0.000000 0.000000 0.000000 Sb\n0.250000 0.250000 0.250000 Ru\n0.750000 0.750000 0.750000 Ru\n",
"nsites": 4,
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"elements": [
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"Sb",
"Ru"
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"chemical_system": "Lu-Ru-Sb",
"density": 12.03403767444986,
"density_atomic": 0.05810820824927239,
"volume": 68.83709067126651,
"volume_molar": 10.363666238281244,
"formula_full": "Lu1 Sb1 Ru2",
"formula_reduced": "LuSbRu2",
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"energy": -29.28031218,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:08.710000Z",
"spacegroup": 225
},
{
"id": "mp-9580",
"created_at": "2022-09-04T14:41:25.763757Z",
"structure_string": "Tl2 Ga2 Se4\n1.0\n-4.113936 4.113936 3.266388\n4.113936 -4.113936 3.266388\n4.113936 4.113936 -3.266388\nTl Ga Se\n2 2 4\ndirect\n0.250000 0.250000 0.000000 Tl\n0.750000 0.750000 0.000000 Tl\n0.250000 0.750000 0.500000 Ga\n0.750000 0.250000 0.500000 Ga\n0.840802 0.659198 0.500000 Se\n0.340802 0.840802 0.181603 Se\n0.159198 0.340802 0.500000 Se\n0.659198 0.159198 0.818397 Se\n",
"nsites": 8,
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"Ga",
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"density_atomic": 0.036178217215812665,
"volume": 221.1275351761497,
"volume_molar": 16.645764284282812,
"formula_full": "Tl2 Ga2 Se4",
"formula_reduced": "TlGaSe2",
"formula_anonymous": "ABC2",
"energy": -31.16966044,
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"spacegroup": 140
},
{
"id": "mp-4936",
"created_at": "2022-09-04T14:42:04.536657Z",
"structure_string": "Yb1 Si2 Pt2\n1.0\n-2.115654 2.115654 4.904131\n2.115654 -2.115654 4.904131\n2.115654 2.115654 -4.904131\nYb Si Pt\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.621775 0.621775 0.000000 Si\n0.378225 0.378225 0.000000 Si\n0.750000 0.250000 0.500000 Pt\n0.250000 0.750000 0.500000 Pt\n",
"nsites": 5,
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],
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"density": 11.713703671020465,
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"volume": 87.80340150452525,
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"formula_full": "Yb1 Si2 Pt2",
"formula_reduced": "Yb(SiPt)2",
"formula_anonymous": "AB2C2",
"energy": -29.139666049999995,
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"spacegroup": 139
},
{
"id": "mp-1207175",
"created_at": "2022-09-04T14:40:41.637649Z",
"structure_string": "Pr2 Ni3 As3\n1.0\n6.083504 0.000000 0.000000\n-0.057455 6.458148 0.000000\n-2.915446 -1.671570 18.229156\nPr Ni As\n2 3 3\ndirect\n0.500264 0.500233 0.761456 Pr\n0.499736 0.499767 0.238544 Pr\n0.505333 0.501455 0.117600 Ni\n0.494667 0.498545 0.882400 Ni\n0.500000 0.500000 0.500000 Ni\n0.496650 0.498588 0.380747 As\n0.503350 0.501412 0.619253 As\n0.500000 0.500000 0.000000 As\n",
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"density": 1.5827976319132986,
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"volume": 716.1901651296953,
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"formula_full": "Pr2 Ni3 As3",
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{
"id": "mp-1225722",
"created_at": "2022-09-04T14:43:57.208261Z",
"structure_string": "Cu5 Ge2\n1.0\n6.783842 -2.063763 0.000000\n6.783842 2.063763 0.000000\n6.156010 0.000000 3.518975\nCu Ge\n5 2\ndirect\n0.377019 0.377019 0.377019 Cu\n0.873476 0.873476 0.873476 Cu\n0.622981 0.622981 0.622981 Cu\n0.126524 0.126524 0.126524 Cu\n0.000000 0.000000 0.000000 Cu\n0.751602 0.751602 0.751602 Ge\n0.248398 0.248398 0.248398 Ge\n",
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"spacegroup": 166
},
{
"id": "mp-1079867",
"created_at": "2022-09-04T14:46:54.722355Z",
"structure_string": "Li4 Pr2 Ge2\n1.0\n2.196681 -3.804763 0.000000\n2.196681 3.804763 0.000000\n0.000000 0.000000 9.631698\nLi Pr Ge\n4 2 2\ndirect\n0.333333 0.666667 0.435658 Li\n0.666667 0.333333 0.564342 Li\n0.666667 0.333333 0.935658 Li\n0.333333 0.666667 0.064342 Li\n0.333333 0.666667 0.750000 Pr\n0.666667 0.333333 0.250000 Pr\n0.000000 0.000000 0.500000 Ge\n0.000000 0.000000 0.000000 Ge\n",
"nsites": 8,
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"elements": [
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"density": 4.691359564836603,
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"volume": 161.00058565488283,
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"formula_full": "Li4 Pr2 Ge2",
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"updated_at": "2021-11-28T01:37:44.659000Z",
"spacegroup": 194
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{
"id": "mp-571589",
"created_at": "2022-09-04T14:45:52.591232Z",
"structure_string": "Mo2 C1\n1.0\n1.442461 -2.498415 0.000000\n1.442461 2.498415 0.000000\n0.000000 0.000000 5.485081\nMo C\n2 1\ndirect\n0.333333 0.666667 0.253502 Mo\n0.333333 0.666667 0.746498 Mo\n0.000000 0.000000 0.000000 C\n",
"nsites": 3,
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"elements": [
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"chemical_system": "C-Mo",
"density": 8.563766451005703,
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"volume": 39.53499603280984,
"volume_molar": 7.936177035187415,
"formula_full": "Mo2 C1",
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"energy": -29.283606050000003,
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"updated_at": "2021-11-28T01:37:41.712000Z",
"spacegroup": 187
}
]
}