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{
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"results": [
{
"id": "mp-1093636",
"created_at": "2022-09-04T14:47:38.618887Z",
"structure_string": "Na1 Cd1 In2\n1.0\n-6.028754 6.057626 9.055461\n6.028754 -6.057626 9.055461\n6.028754 6.057626 -9.055461\nNa Cd In\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.000000 0.500000 Cd\n0.738109 0.000000 0.738109 In\n0.261891 0.000000 0.261891 In\n",
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{
"id": "mp-1096230",
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"structure_string": "Mg2 Hg1 Bi1\n1.0\n-5.494396 6.098573 8.618872\n5.494396 -6.098573 8.618872\n5.494396 6.098573 -8.618872\nMg Hg Bi\n2 1 1\ndirect\n0.000000 0.250068 0.250068 Mg\n0.000000 0.749932 0.749932 Mg\n0.000000 0.000000 0.000000 Hg\n0.000000 0.500000 0.500000 Bi\n",
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"updated_at": "2021-11-28T01:38:23.793000Z",
"spacegroup": 71
},
{
"id": "mp-801341",
"created_at": "2022-09-04T14:39:18.911503Z",
"structure_string": "Li4 Mn4 O4 F8\n1.0\n5.174635 0.000000 0.000000\n-2.579662 -4.527808 0.000000\n0.102098 2.884580 -9.421417\nLi Mn O F\n4 4 4 8\ndirect\n0.679095 0.783255 0.048772 Li\n0.320905 0.216745 0.951228 Li\n0.794147 0.220253 0.451155 Li\n0.205853 0.779747 0.548845 Li\n0.890799 0.796338 0.763796 Mn\n0.109201 0.203662 0.236204 Mn\n0.413432 0.814486 0.263687 Mn\n0.586568 0.185514 0.736313 Mn\n0.625992 0.328222 0.851770 O\n0.415794 0.001242 0.355623 O\n0.584206 0.998758 0.644377 O\n0.374008 0.671778 0.148230 O\n0.131925 0.318611 0.384286 F\n0.931358 0.989935 0.880751 F\n0.068642 0.010065 0.119249 F\n0.718307 0.311824 0.129656 F\n0.181306 0.277963 0.635564 F\n0.868075 0.681389 0.615714 F\n0.281693 0.688176 0.870344 F\n0.818694 0.722037 0.364436 F\n",
"nsites": 20,
"nelements": 4,
"elements": [
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"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 3.48671000215789,
"density_atomic": 0.0906037232966512,
"volume": 220.7414802868175,
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"formula_full": "Li4 Mn4 O4 F8",
"formula_reduced": "LiMnOF2",
"formula_anonymous": "ABCD2",
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:29.294000Z",
"spacegroup": 2
},
{
"id": "mp-1096075",
"created_at": "2022-09-04T14:46:07.890758Z",
"structure_string": "Li1 Sn1 Hg2\n1.0\n-5.560489 5.773402 8.151612\n5.560489 -5.773402 8.151612\n5.560489 5.773402 -8.151612\nLi Sn Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Sn\n0.000000 0.239259 0.239259 Hg\n0.000000 0.760741 0.760740 Hg\n",
"nsites": 4,
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"elements": [
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"Hg"
],
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"volume": 1046.7627887688886,
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"formula_full": "Li1 Sn1 Hg2",
"formula_reduced": "LiSnHg2",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:37:25.441000Z",
"spacegroup": 71
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{
"id": "mp-10631",
"created_at": "2022-09-04T14:40:59.500139Z",
"structure_string": "Sb1\n1.0\n-1.572519 1.572519 2.849152\n1.572519 -1.572519 2.849152\n1.572519 1.572519 -2.849152\nSb\n1\ndirect\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 1,
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"elements": [
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"chemical_system": "Sb",
"density": 7.17441217194662,
"density_atomic": 0.03548400130145425,
"volume": 28.18171466922522,
"volume_molar": 16.971425259623114,
"formula_full": "Sb1",
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"formula_anonymous": "A",
"energy": -3.8270613,
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"updated_at": "2021-11-28T01:35:10.956000Z",
"spacegroup": 139
},
{
"id": "mp-1097498",
"created_at": "2022-09-04T14:44:19.086722Z",
"structure_string": "Mg2 Cd1 Sn1\n1.0\n-5.594506 5.934926 8.393771\n5.594506 -5.934926 8.393771\n5.594506 5.934926 -8.393771\nMg Cd Sn\n2 1 1\ndirect\n0.000000 0.252302 0.252302 Mg\n0.000000 0.747698 0.747698 Mg\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Sn\n",
"nsites": 4,
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"elements": [
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"Cd",
"Sn"
],
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"density": 0.4166731685643693,
"density_atomic": 0.0035881106818722087,
"volume": 1114.7928128886133,
"volume_molar": 167.8359809362893,
"formula_full": "Mg2 Cd1 Sn1",
"formula_reduced": "Mg2CdSn",
"formula_anonymous": "ABC2",
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"total_magnetization": 1.9999902,
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"updated_at": "2021-11-28T01:36:33.783000Z",
"spacegroup": 71
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{
"id": "mp-721759",
"created_at": "2022-09-04T14:39:45.126233Z",
"structure_string": "N1\n1.0\n0.000000 1.537618 1.537618\n1.537618 0.000000 1.537618\n1.537618 1.537618 0.000000\nN\n1\ndirect\n0.000000 0.000000 0.000000 N\n",
"nsites": 1,
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"elements": [
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"density_atomic": 0.13753861324170039,
"volume": 7.270685492827185,
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"formula_full": "N1",
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"energy": -3.82991611,
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"updated_at": "2021-11-28T01:34:25.212000Z",
"spacegroup": 225
},
{
"id": "mp-1186852",
"created_at": "2022-09-04T14:40:27.091772Z",
"structure_string": "Rb3 Mg1\n1.0\n0.000000 5.078816 5.078816\n5.078816 0.000000 5.078816\n5.078816 5.078816 0.000000\nRb Mg\n3 1\ndirect\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Rb\n0.750000 0.750000 0.750000 Rb\n0.000000 0.000000 0.000000 Mg\n",
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"elements": [
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"Mg"
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"density": 1.7790455727895775,
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"volume": 262.0097380596512,
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"formula_full": "Rb3 Mg1",
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"updated_at": "2021-11-28T01:35:04.565000Z",
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{
"id": "mp-1096840",
"created_at": "2022-09-04T14:40:04.554466Z",
"structure_string": "Ba2\n1.0\n2.454345 -3.632532 0.000000\n2.454345 3.632532 0.000000\n0.000000 0.000000 7.278134\nBa\n2\ndirect\n0.255870 0.255870 0.250000 Ba\n0.744130 0.744130 0.750000 Ba\n",
"nsites": 2,
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"updated_at": "2021-11-28T01:34:45.030000Z",
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{
"id": "mp-567597",
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"structure_string": "Bi1\n1.0\n3.277897 0.000000 0.000000\n0.000000 3.277897 0.000000\n0.000000 0.000000 3.277897\nBi\n1\ndirect\n0.500000 0.500000 0.500000 Bi\n",
"nsites": 1,
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{
"id": "mp-1226728",
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"structure_string": "Cd1 Ag1\n1.0\n1.492869 -2.743508 0.000000\n1.492869 2.743508 0.000000\n0.000000 0.000000 4.805695\nCd Ag\n1 1\ndirect\n0.335173 0.664827 0.500000 Cd\n0.664827 0.335173 0.000000 Ag\n",
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{
"id": "mp-1227938",
"created_at": "2022-09-04T14:39:25.300188Z",
"structure_string": "Ba1 Ca1\n1.0\n3.001579 -3.155770 0.000000\n3.001579 3.155770 0.000000\n0.000000 0.000000 5.586277\nBa Ca\n1 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Ca\n",
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"updated_at": "2021-11-28T01:34:26.459000Z",
"spacegroup": 65
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]
}