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{
"id": "mp-1102704",
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"structure_string": "Nd2 Fe2 Co6 B2\n1.0\n-2.554438 -4.424416 0.000000\n-2.564631 4.430301 0.000000\n0.000000 0.000000 -6.828926\nNd Fe Co B\n2 2 6 2\ndirect\n0.999979 0.000000 0.000000 Nd\n0.999991 0.000000 0.500000 Nd\n0.333066 0.666199 0.000000 Fe\n0.666868 0.333801 0.000000 Fe\n0.499996 0.000000 0.287668 Co\n0.499992 0.500004 0.287787 Co\n0.999988 0.499996 0.287787 Co\n0.499996 0.000000 0.712332 Co\n0.499992 0.500004 0.712213 Co\n0.999988 0.499996 0.712213 Co\n0.333364 0.666783 0.500000 B\n0.666580 0.333217 0.500000 B\n",
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{
"id": "mp-778489",
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"structure_string": "Li6 Mn4 Si4 O16\n1.0\n6.295820 0.000000 0.000000\n0.000000 5.125623 0.000000\n0.000000 0.017094 11.132362\nLi Mn Si O\n6 4 4 16\ndirect\n0.239599 0.236089 0.821582 Li\n0.760401 0.236089 0.321582 Li\n0.754889 0.742561 0.674772 Li\n0.505447 0.742838 0.908788 Li\n0.494553 0.742838 0.408788 Li\n0.245111 0.742561 0.174772 Li\n0.997595 0.741959 0.421449 Mn\n0.002405 0.741959 0.921449 Mn\n0.502276 0.249414 0.085325 Mn\n0.497724 0.249414 0.585325 Mn\n0.252768 0.742343 0.666511 Si\n0.747232 0.742343 0.166511 Si\n0.746679 0.229725 0.834114 Si\n0.253321 0.229725 0.334114 Si\n0.291880 0.342648 0.196275 O\n0.278619 0.419970 0.667889 O\n0.031458 0.349804 0.383472 O\n0.029558 0.811957 0.599854 O\n0.970442 0.811957 0.099854 O\n0.968542 0.349804 0.883472 O\n0.721381 0.419970 0.167889 O\n0.708120 0.342648 0.696275 O\n0.744494 0.845864 0.307685 O\n0.745865 0.910442 0.833539 O\n0.532164 0.852416 0.091818 O\n0.538719 0.334070 0.915631 O\n0.461281 0.334070 0.415631 O\n0.467836 0.852416 0.591818 O\n0.254135 0.910442 0.333539 O\n0.255506 0.845864 0.807685 O\n",
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"formula_full": "Li6 Mn4 Si4 O16",
"formula_reduced": "Li3Mn2(SiO4)2",
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{
"id": "mp-1036386",
"created_at": "2022-09-04T14:40:22.161751Z",
"structure_string": "Ca1 Mg14 Cu1 O16\n1.0\n8.582381 0.000000 0.000000\n0.000000 8.582381 0.000000\n0.000000 0.000000 4.328848\nCa Mg Cu O\n1 14 1 16\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.000000 0.000000 Mg\n0.000000 0.500000 0.000000 Mg\n0.255686 0.000000 0.500000 Mg\n0.744314 0.000000 0.500000 Mg\n0.252466 0.500000 0.500000 Mg\n0.747534 0.500000 0.500000 Mg\n0.000000 0.255686 0.500000 Mg\n0.500000 0.252466 0.500000 Mg\n0.000000 0.744314 0.500000 Mg\n0.500000 0.747534 0.500000 Mg\n0.253822 0.253822 0.000000 Mg\n0.746178 0.253822 0.000000 Mg\n0.253822 0.746178 0.000000 Mg\n0.746178 0.746178 0.000000 Mg\n0.500000 0.500000 0.000000 Cu\n0.000000 0.263857 0.000000 O\n0.500000 0.249964 0.000000 O\n0.000000 0.736143 0.000000 O\n0.500000 0.750036 0.000000 O\n0.250172 0.250172 0.500000 O\n0.749828 0.250172 0.500000 O\n0.250172 0.749828 0.500000 O\n0.749828 0.749828 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.263857 0.000000 0.000000 O\n0.736143 0.000000 0.000000 O\n0.249964 0.500000 0.000000 O\n0.750036 0.500000 0.000000 O\n",
"nsites": 32,
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"formula_full": "Ca1 Mg14 Cu1 O16",
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},
{
"id": "mp-764326",
"created_at": "2022-09-04T14:40:22.159752Z",
"structure_string": "Fe12 O13\n1.0\n4.070460 -5.540626 0.000000\n4.070460 5.540626 0.000000\n-3.471324 0.000000 5.934399\nFe O\n12 13\ndirect\n0.073268 0.231136 0.709365 Fe\n0.231136 0.709365 0.073268 Fe\n0.623477 0.847953 0.541755 Fe\n0.541755 0.623477 0.847953 Fe\n0.152047 0.458245 0.376523 Fe\n0.290635 0.926732 0.768864 Fe\n0.709365 0.073268 0.231136 Fe\n0.458245 0.376523 0.152047 Fe\n0.847953 0.541755 0.623477 Fe\n0.768864 0.290635 0.926732 Fe\n0.376523 0.152047 0.458245 Fe\n0.926732 0.768864 0.290635 Fe\n0.129297 0.374490 0.047023 O\n0.047023 0.129297 0.374490 O\n0.575211 0.719690 0.190014 O\n0.190014 0.575211 0.719690 O\n0.374490 0.047023 0.129297 O\n0.625510 0.952977 0.870703 O\n0.719690 0.190014 0.575211 O\n0.280310 0.809986 0.424789 O\n0.424789 0.280310 0.809986 O\n0.809986 0.424789 0.280310 O\n0.952977 0.870703 0.625510 O\n0.870703 0.625510 0.952977 O\n0.500000 0.500000 0.500000 O\n",
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"elements": [
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"formula_full": "Fe12 O13",
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"formula_anonymous": "A12B13",
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},
{
"id": "mp-1226060",
"created_at": "2022-09-04T14:40:22.065705Z",
"structure_string": "Co4 Sb1 O8\n1.0\n2.993065 5.101282 0.000000\n-2.993065 5.101282 0.000000\n0.000000 3.257386 4.837744\nCo Sb O\n4 1 8\ndirect\n0.381980 0.381980 0.888775 Co\n0.618020 0.618020 0.111225 Co\n0.000000 0.500000 0.500000 Co\n0.500000 0.000000 0.500000 Co\n0.000000 0.000000 0.000000 Sb\n0.255955 0.255955 0.293892 O\n0.241627 0.241627 0.754236 O\n0.262464 0.782968 0.740647 O\n0.782968 0.262464 0.740647 O\n0.744045 0.744045 0.706108 O\n0.758373 0.758373 0.245764 O\n0.737536 0.217032 0.259353 O\n0.217032 0.737536 0.259353 O\n",
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"density": 5.457066173190034,
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"volume": 147.7298848079491,
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"formula_full": "Co4 Sb1 O8",
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{
"id": "mp-1216630",
"created_at": "2022-09-04T14:40:22.172416Z",
"structure_string": "U4 Si1 N3\n1.0\n-2.562349 2.562349 4.966897\n2.562349 -2.562349 4.966897\n2.562349 2.562349 -4.966897\nU Si N\n4 1 3\ndirect\n0.000000 0.500000 0.500000 U\n0.230684 0.230684 0.000000 U\n0.500000 0.000000 0.500000 U\n0.769316 0.769316 0.000000 U\n0.500000 0.500000 0.000000 Si\n0.750000 0.250000 0.500000 N\n0.000000 0.000000 0.000000 N\n0.250000 0.750000 0.500000 N\n",
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{
"id": "mp-1186400",
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"structure_string": "Pa1 Co1 O3\n1.0\n3.782153 0.000000 0.000000\n0.000000 3.782153 0.000000\n0.000000 0.000000 3.782153\nPa Co O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Pa\n0.500000 0.500000 0.500000 Co\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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{
"id": "mp-29458",
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"structure_string": "Rb6 Mo4 Cl18\n1.0\n3.665490 -6.348816 0.000000\n3.665490 6.348816 0.000000\n0.000000 0.000000 17.845052\nRb Mo Cl\n6 4 18\ndirect\n0.000000 0.000000 0.250000 Rb\n0.000000 0.000000 0.750000 Rb\n0.333333 0.666667 0.067231 Rb\n0.666667 0.333333 0.567231 Rb\n0.333333 0.666667 0.432769 Rb\n0.666667 0.333333 0.932769 Rb\n0.333333 0.666667 0.827940 Mo\n0.666667 0.333333 0.327940 Mo\n0.666667 0.333333 0.172060 Mo\n0.333333 0.666667 0.672060 Mo\n0.822723 0.177277 0.405355 Cl\n0.822723 0.645446 0.405355 Cl\n0.354554 0.177277 0.405355 Cl\n0.645446 0.822723 0.905355 Cl\n0.177277 0.354554 0.594645 Cl\n0.177277 0.822723 0.905355 Cl\n0.177277 0.354554 0.905355 Cl\n0.822723 0.177277 0.094645 Cl\n0.354554 0.177277 0.094645 Cl\n0.645446 0.822723 0.594645 Cl\n0.503726 0.007453 0.250000 Cl\n0.496274 0.503726 0.750000 Cl\n0.007453 0.503726 0.750000 Cl\n0.992547 0.496274 0.250000 Cl\n0.503726 0.496274 0.250000 Cl\n0.496274 0.992547 0.750000 Cl\n0.822723 0.645446 0.094645 Cl\n0.177277 0.822723 0.594645 Cl\n",
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{
"id": "mp-556667",
"created_at": "2022-09-04T14:40:22.107124Z",
"structure_string": "Fe4 Mo4 O16\n1.0\n6.462865 -0.005377 2.014848\n-0.003938 6.462665 2.013163\n0.022116 0.020117 7.805875\nFe Mo O\n4 4 16\ndirect\n0.696411 0.303435 0.500112 Fe\n0.305920 0.306025 0.845304 Fe\n0.694307 0.694153 0.154507 Fe\n0.303701 0.696134 0.500013 Fe\n0.712528 0.712301 0.641868 Mo\n0.287650 0.287293 0.358220 Mo\n0.286494 0.713562 0.999993 Mo\n0.713350 0.286772 0.999941 Mo\n0.650475 0.651449 0.915586 O\n0.348864 0.349316 0.084156 O\n0.350372 0.349515 0.561488 O\n0.650311 0.649285 0.438798 O\n0.640359 0.342567 0.239511 O\n0.342569 0.640814 0.239242 O\n0.359335 0.657657 0.760663 O\n0.657576 0.359625 0.760596 O\n0.984183 0.683142 0.582640 O\n0.683146 0.983876 0.583151 O\n0.016096 0.316858 0.416822 O\n0.316847 0.015977 0.417315 O\n0.318219 0.983941 0.928138 O\n0.983692 0.318384 0.928957 O\n0.016007 0.681747 0.072158 O\n0.681587 0.016170 0.070822 O\n",
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{
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"structure_string": "Y2 Fe4 S8\n1.0\n6.425081 -0.124370 -3.397350\n-1.824515 6.229533 -3.271572\n-0.320004 -0.265097 7.252404\nY Fe S\n2 4 8\ndirect\n0.000000 0.500001 0.000001 Y\n0.000001 0.000000 0.500000 Y\n0.372085 0.622085 0.750000 Fe\n0.627915 0.377916 0.250000 Fe\n0.500001 0.000000 0.500000 Fe\n0.000000 0.000000 0.000000 Fe\n0.738531 0.763116 0.528798 S\n0.734319 0.209735 0.971204 S\n0.244904 0.230483 0.013663 S\n0.261469 0.236884 0.471203 S\n0.283180 0.768759 0.513662 S\n0.265681 0.790266 0.028798 S\n0.716819 0.231240 0.486337 S\n0.755096 0.769518 0.986337 S\n",
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{
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"elements": [
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],
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"density_atomic": 0.06316794556903395,
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"updated_at": "2021-11-28T01:34:53.550000Z",
"spacegroup": 62
},
{
"id": "mp-1228333",
"created_at": "2022-09-04T14:40:22.426795Z",
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]
}