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{
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"results": [
{
"id": "mp-769606",
"created_at": "2022-09-04T14:39:35.532699Z",
"structure_string": "Li1 Zn4 Fe13 O24\n1.0\n3.028937 5.248086 0.000000\n-3.028937 5.248086 0.000000\n0.000000 0.076839 14.814122\nLi Zn Fe O\n1 4 13 24\ndirect\n0.000733 0.000733 0.249974 Li\n0.668173 0.668173 0.958789 Zn\n0.833932 0.833932 0.792141 Zn\n0.163749 0.163749 0.456401 Zn\n0.999625 0.999625 0.624224 Zn\n0.001322 0.001322 0.004296 Fe\n0.333219 0.834361 0.791831 Fe\n0.330657 0.330657 0.912488 Fe\n0.338216 0.338216 0.666626 Fe\n0.161904 0.671499 0.457726 Fe\n0.834361 0.333219 0.791831 Fe\n0.004915 0.498239 0.126959 Fe\n0.671499 0.161904 0.457726 Fe\n0.660849 0.660849 0.582952 Fe\n0.497924 0.497924 0.126514 Fe\n0.333739 0.333739 0.287646 Fe\n0.669437 0.669437 0.333915 Fe\n0.498239 0.004915 0.126959 Fe\n0.681646 0.168999 0.712948 O\n0.498866 0.984890 0.872109 O\n0.661752 0.661752 0.715803 O\n0.506870 0.506870 0.870107 O\n0.336025 0.336025 0.534516 O\n0.162255 0.162255 0.714705 O\n0.005726 0.005726 0.871821 O\n0.019220 0.497712 0.373569 O\n0.168999 0.681646 0.712948 O\n0.182647 0.635478 0.202147 O\n0.827941 0.320560 0.538416 O\n0.984890 0.498866 0.872109 O\n0.320560 0.827941 0.538416 O\n0.183548 0.183548 0.203383 O\n0.834871 0.834871 0.536537 O\n0.993201 0.993201 0.388582 O\n0.667255 0.667255 0.200971 O\n0.490752 0.490752 0.376014 O\n0.826939 0.826939 0.047937 O\n0.348596 0.828236 0.048452 O\n0.497712 0.019220 0.373569 O\n0.828236 0.348596 0.048452 O\n0.635478 0.182647 0.202147 O\n0.333522 0.333522 0.045339 O\n",
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},
{
"id": "mp-1221908",
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"structure_string": "Mn3 Cr3 Si7 Ni16\n1.0\n6.790168 -3.923011 0.000000\n6.790168 3.923011 0.000000\n4.523653 0.000000 6.405698\nMn Cr Si Ni\n3 3 7 16\ndirect\n0.196482 0.803031 0.196482 Mn\n0.803031 0.196482 0.196482 Mn\n0.196482 0.196482 0.803031 Mn\n0.803220 0.194850 0.803220 Cr\n0.194850 0.803220 0.803220 Cr\n0.803220 0.803220 0.194850 Cr\n0.500528 0.500528 0.500528 Si\n0.000535 0.502576 0.000535 Si\n0.502576 0.000535 0.000535 Si\n0.000535 0.000535 0.502576 Si\n0.500510 0.996606 0.500510 Si\n0.996606 0.500510 0.500510 Si\n0.500510 0.500510 0.996606 Si\n0.164798 0.164798 0.164798 Ni\n0.166792 0.166792 0.502792 Ni\n0.502792 0.166792 0.166792 Ni\n0.166792 0.502792 0.166792 Ni\n0.832977 0.832977 0.832977 Ni\n0.835851 0.835851 0.495280 Ni\n0.495280 0.835851 0.835851 Ni\n0.835851 0.495280 0.835851 Ni\n0.382616 0.382616 0.382616 Ni\n0.382032 0.382032 0.853213 Ni\n0.853213 0.382032 0.382032 Ni\n0.382032 0.853213 0.382032 Ni\n0.617902 0.617902 0.617902 Ni\n0.617270 0.617270 0.147446 Ni\n0.147446 0.617270 0.617270 Ni\n0.617270 0.147446 0.617270 Ni\n",
"nsites": 29,
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"elements": [
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],
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"formula_full": "Mn3 Cr3 Si7 Ni16",
"formula_reduced": "Mn3Cr3Si7Ni16",
"formula_anonymous": "A3B3C7D16",
"energy": -197.5331287,
"energy_per_atom": -6.811487196551724,
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"updated_at": "2021-11-28T01:34:29.632000Z",
"spacegroup": 160
},
{
"id": "mp-1021690",
"created_at": "2022-09-04T14:39:35.546144Z",
"structure_string": "Mg12 V2 Cr2\n1.0\n4.995800 0.000000 0.000000\n0.000000 6.197328 0.000000\n0.000000 0.000000 10.672691\nMg V Cr\n12 2 2\ndirect\n0.000000 0.759376 0.585597 Mg\n0.000000 0.240624 0.585597 Mg\n0.000000 0.000000 0.334659 Mg\n0.500000 0.740126 0.413468 Mg\n0.500000 0.259874 0.413468 Mg\n0.500000 0.000000 0.165492 Mg\n0.000000 0.259376 0.085597 Mg\n0.000000 0.740624 0.085597 Mg\n0.000000 0.500000 0.834659 Mg\n0.500000 0.240126 0.913468 Mg\n0.500000 0.759874 0.913468 Mg\n0.500000 0.500000 0.665492 Mg\n0.000000 0.000000 0.835683 V\n0.000000 0.500000 0.335683 V\n0.500000 0.000000 0.666035 Cr\n0.500000 0.500000 0.166035 Cr\n",
"nsites": 16,
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"elements": [
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],
"chemical_system": "Cr-Mg-V",
"density": 2.5002846105826797,
"density_atomic": 0.0484213084668392,
"volume": 330.4330367478075,
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"formula_full": "Mg12 V2 Cr2",
"formula_reduced": "Mg6VCr",
"formula_anonymous": "ABC6",
"energy": -51.61379329,
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"updated_at": "2021-11-28T01:34:28.038000Z",
"spacegroup": 38
},
{
"id": "mp-1002109",
"created_at": "2022-09-04T14:39:35.551841Z",
"structure_string": "V1 Co1\n1.0\n2.895429 0.000000 0.000000\n0.000000 2.895429 0.000000\n0.000000 0.000000 2.895429\nV Co\n1 1\ndirect\n0.000000 0.000000 0.000000 V\n0.500000 0.500000 0.500000 Co\n",
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"elements": [
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],
"chemical_system": "Co-V",
"density": 7.516367747422577,
"density_atomic": 0.08239317450582298,
"volume": 24.273855352650042,
"volume_molar": 7.3090286860769,
"formula_full": "V1 Co1",
"formula_reduced": "VCo",
"formula_anonymous": "AB",
"energy": -16.36449008,
"energy_per_atom": -8.18224504,
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"updated_at": "2021-11-28T01:34:35.841000Z",
"spacegroup": 221
},
{
"id": "mp-1113538",
"created_at": "2022-09-04T14:39:35.565278Z",
"structure_string": "Cs2 Ce1 Ag1 F6\n1.0\n0.000000 4.790990 4.790990\n4.790990 0.000000 4.790990\n4.790990 4.790990 0.000000\nCs Ce Ag F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Cs\n0.750000 0.750000 0.750000 Cs\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 Ag\n0.239555 0.760445 0.760445 F\n0.760445 0.760445 0.239555 F\n0.760445 0.239555 0.239555 F\n0.760445 0.239555 0.760445 F\n0.239555 0.760445 0.239555 F\n0.239555 0.239555 0.760445 F\n",
"nsites": 10,
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"elements": [
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"Ag",
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],
"chemical_system": "Ag-Ce-Cs-F",
"density": 4.739740940462439,
"density_atomic": 0.045466781366450174,
"volume": 219.9407941240146,
"volume_molar": 13.245144210809967,
"formula_full": "Cs2 Ce1 Ag1 F6",
"formula_reduced": "Cs2CeAgF6",
"formula_anonymous": "ABC2D6",
"energy": -53.55045033,
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{
"id": "mp-1175307",
"created_at": "2022-09-04T14:39:35.574832Z",
"structure_string": "Li7 Mn4 Co1 O12\n1.0\n2.877399 0.000000 0.000000\n0.000000 5.883453 0.000000\n0.000000 2.883581 12.993640\nLi Mn Co O\n7 4 1 12\ndirect\n0.500000 0.829048 0.821189 Li\n0.500000 0.495706 0.520058 Li\n0.500000 0.171467 0.160188 Li\n0.000000 0.159682 0.663715 Li\n0.000000 0.826049 0.344792 Li\n0.000000 0.503180 0.984406 Li\n0.000000 0.673407 0.667076 Li\n0.000000 0.009544 0.991574 Mn\n0.500000 0.987809 0.514347 Mn\n0.000000 0.329186 0.341619 Mn\n0.500000 0.665666 0.165442 Mn\n0.500000 0.361959 0.805819 Co\n0.500000 0.785279 0.995035 O\n0.500000 0.409338 0.669990 O\n0.500000 0.096638 0.347204 O\n0.000000 0.096451 0.847121 O\n0.000000 0.776142 0.501314 O\n0.000000 0.438756 0.165783 O\n0.500000 0.920902 0.653133 O\n0.500000 0.558701 0.337416 O\n0.500000 0.219511 0.005819 O\n0.000000 0.217155 0.506682 O\n0.000000 0.898544 0.158490 O\n0.000000 0.569880 0.831788 O\n",
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"formula_full": "Li7 Mn4 Co1 O12",
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{
"id": "mp-568519",
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"structure_string": "Tm3 Cu4 Ge4\n1.0\n-2.075039 3.312763 6.886462\n2.075039 -3.312763 6.886462\n2.075039 3.312763 -6.886462\nTm Cu Ge\n3 4 4\ndirect\n0.129355 0.129355 0.000000 Tm\n0.870645 0.870645 0.000000 Tm\n0.500000 0.000000 0.500000 Tm\n0.478572 0.669873 0.808698 Cu\n0.861175 0.669873 0.191302 Cu\n0.138825 0.330127 0.808698 Cu\n0.521428 0.330127 0.191302 Cu\n0.283448 0.783448 0.500000 Ge\n0.716552 0.216552 0.500000 Ge\n0.192640 0.500000 0.692640 Ge\n0.807360 0.500000 0.307360 Ge\n",
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{
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"structure_string": "Tl8 S28 N32\n1.0\n9.651749 0.000000 0.000000\n0.000000 11.723087 0.000000\n0.000000 0.000000 12.184930\nTl S N\n8 28 32\ndirect\n0.467623 0.223430 0.066697 Tl\n0.967623 0.776570 0.933303 Tl\n0.032377 0.723430 0.433303 Tl\n0.532377 0.276570 0.566697 Tl\n0.532377 0.776570 0.933303 Tl\n0.032377 0.223430 0.066697 Tl\n0.967623 0.276570 0.566697 Tl\n0.467623 0.723430 0.433303 Tl\n0.750000 0.044088 0.722878 S\n0.250000 0.955912 0.277122 S\n0.750000 0.544088 0.777122 S\n0.250000 0.455912 0.222878 S\n0.750000 0.047868 0.959650 S\n0.250000 0.952132 0.040350 S\n0.750000 0.547868 0.540350 S\n0.250000 0.452132 0.459650 S\n0.750000 0.260473 0.838269 S\n0.250000 0.739527 0.161731 S\n0.750000 0.760473 0.661731 S\n0.250000 0.239527 0.338269 S\n0.750000 0.653953 0.197689 S\n0.250000 0.346047 0.802311 S\n0.750000 0.153953 0.302311 S\n0.250000 0.846047 0.697689 S\n0.750000 0.455521 0.069294 S\n0.250000 0.544479 0.930706 S\n0.750000 0.955521 0.430706 S\n0.250000 0.044479 0.569294 S\n0.607708 0.462188 0.267062 S\n0.107708 0.537812 0.732938 S\n0.892292 0.962188 0.232938 S\n0.392292 0.037812 0.767062 S\n0.392292 0.537812 0.732938 S\n0.892292 0.462188 0.267062 S\n0.107708 0.037812 0.767062 S\n0.607708 0.962188 0.232938 S\n0.750000 0.187448 0.953309 N\n0.250000 0.812552 0.046691 N\n0.750000 0.687448 0.546691 N\n0.250000 0.312552 0.453309 N\n0.750000 0.981761 0.841854 N\n0.250000 0.018239 0.158146 N\n0.750000 0.481761 0.658146 N\n0.250000 0.518239 0.341854 N\n0.750000 0.183170 0.725853 N\n0.250000 0.816830 0.274147 N\n0.750000 0.683170 0.774147 N\n0.250000 0.316830 0.225853 N\n0.750000 0.596396 0.073780 N\n0.250000 0.403604 0.926220 N\n0.750000 0.096396 0.426220 N\n0.250000 0.903604 0.573780 N\n0.616790 0.407921 0.144510 N\n0.116790 0.592079 0.855490 N\n0.883210 0.907921 0.355490 N\n0.383210 0.092079 0.644510 N\n0.383210 0.592079 0.855490 N\n0.883210 0.407921 0.144510 N\n0.116790 0.092079 0.644510 N\n0.616790 0.907921 0.355490 N\n0.616333 0.600636 0.268417 N\n0.116333 0.399364 0.731583 N\n0.883667 0.100636 0.231583 N\n0.383667 0.899364 0.768417 N\n0.383667 0.399364 0.731583 N\n0.883667 0.600636 0.268417 N\n0.116333 0.899364 0.768417 N\n0.616333 0.100636 0.231583 N\n",
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{
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{
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}