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{
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"results": [
{
"id": "mp-1019051",
"created_at": "2022-09-04T14:40:02.058502Z",
"structure_string": "Re2 C4\n1.0\n1.294853 -2.242750 0.000000\n1.294853 2.242750 0.000000\n0.000000 0.000000 10.040738\nRe C\n2 4\ndirect\n0.333333 0.666667 0.250000 Re\n0.666667 0.333333 0.750000 Re\n0.333333 0.666667 0.014598 C\n0.666667 0.333333 0.985402 C\n0.666667 0.333333 0.514598 C\n0.333333 0.666667 0.485402 C\n",
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{
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"created_at": "2022-09-04T14:42:12.162455Z",
"structure_string": "Li16 Fe2 O8 F4\n1.0\n-5.449286 0.000000 0.000000\n2.573371 4.964180 0.000000\n-0.995320 -1.979089 -10.778943\nLi Fe O F\n16 2 8 4\ndirect\n0.714900 0.564244 0.815445 Li\n0.436822 0.664814 0.966444 Li\n0.368704 0.196118 0.685624 Li\n0.085267 0.588884 0.664796 Li\n0.574087 0.034293 0.175394 Li\n0.263113 0.131545 0.310604 Li\n0.042204 0.274074 0.831528 Li\n0.282041 0.834332 0.453428 Li\n0.717959 0.165668 0.546572 Li\n0.957796 0.725926 0.168472 Li\n0.736887 0.868455 0.689396 Li\n0.631296 0.803882 0.314376 Li\n0.425913 0.965707 0.824606 Li\n0.914733 0.411116 0.335204 Li\n0.563178 0.335186 0.033556 Li\n0.285100 0.435756 0.184555 Li\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.708556 0.505274 0.635154 O\n0.578483 0.137849 0.380626 O\n0.378307 0.287186 0.877727 O\n0.262664 0.063817 0.128296 O\n0.737336 0.936183 0.871704 O\n0.621693 0.712814 0.122273 O\n0.421517 0.862151 0.619374 O\n0.291444 0.494726 0.364846 O\n0.092974 0.640213 0.859022 F\n0.037433 0.211492 0.648372 F\n0.962567 0.788508 0.351628 F\n0.907026 0.359787 0.140978 F\n",
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"volume": 291.5837371266141,
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"formula_full": "Li16 Fe2 O8 F4",
"formula_reduced": "Li8Fe(O2F)2",
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"updated_at": "2021-11-28T01:35:40.273000Z",
"spacegroup": 2
},
{
"id": "mp-27908",
"created_at": "2022-09-04T14:44:57.273762Z",
"structure_string": "Fe24 N10\n1.0\n4.705727 -8.150558 0.000000\n4.705727 8.150558 0.000000\n0.000000 0.000000 4.307817\nFe N\n24 10\ndirect\n0.492840 0.665614 0.747685 Fe\n0.172775 0.507160 0.747685 Fe\n0.665614 0.172775 0.252315 Fe\n0.827225 0.492840 0.252315 Fe\n0.507160 0.334386 0.252315 Fe\n0.827225 0.334386 0.747685 Fe\n0.507160 0.172775 0.747685 Fe\n0.665614 0.492840 0.747685 Fe\n0.165767 0.165767 0.246039 Fe\n0.834233 0.000000 0.246039 Fe\n0.000000 0.834233 0.246039 Fe\n0.834233 0.834233 0.753961 Fe\n0.000000 0.165767 0.753961 Fe\n0.165767 0.000000 0.753961 Fe\n0.334386 0.827225 0.747685 Fe\n0.492840 0.827225 0.252315 Fe\n0.334386 0.507160 0.252315 Fe\n0.172775 0.665614 0.252315 Fe\n0.663721 0.000000 0.754720 Fe\n0.000000 0.663721 0.754720 Fe\n0.336279 0.336279 0.754720 Fe\n0.000000 0.336279 0.245280 Fe\n0.336279 0.000000 0.245280 Fe\n0.663721 0.663721 0.245280 Fe\n0.342667 0.171334 0.000000 N\n0.828666 0.657333 0.000000 N\n0.828666 0.171334 0.000000 N\n0.657333 0.828666 0.000000 N\n0.171334 0.342667 0.000000 N\n0.171334 0.828666 0.000000 N\n0.000000 0.500000 0.500000 N\n0.500000 0.000000 0.500000 N\n0.500000 0.500000 0.500000 N\n0.000000 0.000000 0.500000 N\n",
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"density": 7.438944412371496,
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"volume": 330.4466184121488,
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"formula_full": "Fe24 N10",
"formula_reduced": "Fe12N5",
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"spacegroup": 162
},
{
"id": "mp-1102490",
"created_at": "2022-09-04T14:42:54.134974Z",
"structure_string": "Li3 Ni2 Sb1 O6\n1.0\n0.021221 0.000000 -5.231392\n-2.467245 -4.524627 0.895556\n-2.467245 4.524627 0.895556\nLi Ni Sb O\n3 2 1 6\ndirect\n0.500000 0.828656 0.171344 Li\n0.500000 0.171344 0.828656 Li\n0.500000 0.500000 0.500000 Li\n0.000000 0.666572 0.333428 Ni\n0.000000 0.333428 0.666572 Ni\n0.000000 0.000000 0.000000 Sb\n0.229010 0.759036 0.759036 O\n0.770990 0.240964 0.240964 O\n0.232787 0.078968 0.398696 O\n0.232787 0.398696 0.078968 O\n0.767213 0.921032 0.601304 O\n0.767213 0.601304 0.921032 O\n",
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"volume": 116.62788197014797,
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"formula_full": "Li3 Ni2 Sb1 O6",
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"formula_anonymous": "AB2C3D6",
"energy": -74.07624361,
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"spacegroup": 12
},
{
"id": "mp-1246926",
"created_at": "2022-09-04T14:40:58.616751Z",
"structure_string": "Mn10 Ni1 N8\n1.0\n7.578987 -0.038381 0.124392\n1.100537 3.895091 0.000000\n1.682658 -0.475426 6.276063\nMn Ni N\n10 1 8\ndirect\n0.430133 0.784934 0.830533 Mn\n0.569867 0.215066 0.169467 Mn\n0.083517 0.958241 0.771847 Mn\n0.916483 0.041759 0.228153 Mn\n0.649786 0.675107 0.429678 Mn\n0.350214 0.324893 0.570322 Mn\n0.810708 0.594646 0.957623 Mn\n0.189292 0.405354 0.042377 Mn\n0.295567 0.852217 0.292026 Mn\n0.704433 0.147783 0.707974 Mn\n0.000000 0.500000 0.500000 Ni\n0.191641 0.904180 0.046005 N\n0.808359 0.095820 0.953995 N\n0.355434 0.822283 0.573162 N\n0.644566 0.177717 0.426838 N\n0.701009 0.649495 0.716801 N\n0.298991 0.350505 0.283199 N\n0.909954 0.545023 0.238188 N\n0.090046 0.454977 0.761812 N\n",
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"elements": [
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"volume": 184.6594129481092,
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"formula_full": "Mn10 Ni1 N8",
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{
"id": "mp-1038238",
"created_at": "2022-09-04T14:42:23.086389Z",
"structure_string": "Mg30 Ti1 Al1 O32\n1.0\n8.531904 0.000000 0.000000\n0.000000 8.538346 0.000000\n0.000000 0.000000 8.538346\nMg Ti Al O\n30 1 1 32\ndirect\n0.000000 0.000000 0.500000 Mg\n0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.000000 0.251607 0.251607 Mg\n0.000000 0.251607 0.748393 Mg\n0.000000 0.748393 0.251607 Mg\n0.000000 0.748393 0.748393 Mg\n0.500000 0.250810 0.250810 Mg\n0.500000 0.250810 0.749190 Mg\n0.500000 0.749190 0.250810 Mg\n0.500000 0.749190 0.749190 Mg\n0.250562 0.000000 0.251053 Mg\n0.250562 0.000000 0.748947 Mg\n0.250192 0.500000 0.250650 Mg\n0.250192 0.500000 0.749350 Mg\n0.749438 0.000000 0.251053 Mg\n0.749438 0.000000 0.748947 Mg\n0.749808 0.500000 0.250650 Mg\n0.749808 0.500000 0.749350 Mg\n0.250562 0.251053 0.000000 Mg\n0.250192 0.250650 0.500000 Mg\n0.250562 0.748947 0.000000 Mg\n0.250192 0.749350 0.500000 Mg\n0.749438 0.251053 0.000000 Mg\n0.749808 0.250650 0.500000 Mg\n0.749438 0.748947 0.000000 Mg\n0.749808 0.749350 0.500000 Mg\n0.000000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Al\n0.235498 0.000000 0.000000 O\n0.249445 0.000000 0.500000 O\n0.249445 0.500000 0.000000 O\n0.258837 0.500000 0.500000 O\n0.764502 0.000000 0.000000 O\n0.750555 0.000000 0.500000 O\n0.750555 0.500000 0.000000 O\n0.741163 0.500000 0.500000 O\n0.249716 0.249633 0.249633 O\n0.249716 0.249633 0.750367 O\n0.249716 0.750367 0.249633 O\n0.249716 0.750367 0.750367 O\n0.750284 0.249633 0.249633 O\n0.750284 0.249633 0.750367 O\n0.750284 0.750367 0.249633 O\n0.750284 0.750367 0.750367 O\n0.000000 0.000000 0.232961 O\n0.000000 0.000000 0.767039 O\n0.000000 0.500000 0.237054 O\n0.000000 0.500000 0.762946 O\n0.500000 0.000000 0.247350 O\n0.500000 0.000000 0.752650 O\n0.500000 0.500000 0.248099 O\n0.500000 0.500000 0.751901 O\n0.000000 0.232961 0.000000 O\n0.000000 0.237054 0.500000 O\n0.000000 0.767039 0.000000 O\n0.000000 0.762946 0.500000 O\n0.500000 0.247350 0.000000 O\n0.500000 0.248099 0.500000 O\n0.500000 0.752650 0.000000 O\n0.500000 0.751901 0.500000 O\n",
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"formula_full": "Mg30 Ti1 Al1 O32",
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{
"id": "mp-773097",
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"structure_string": "Li4 V4 P4 O16\n1.0\n-2.870086 -2.904256 -4.080195\n-2.870089 2.904245 -4.080185\n5.741330 -0.000017 -8.161213\nLi V P O\n4 4 4 16\ndirect\n0.250094 0.749881 0.750028 Li\n0.750092 0.249884 0.250028 Li\n0.000127 0.499915 0.000049 Li\n0.499976 0.000046 0.500028 Li\n0.500094 0.500187 0.499908 V\n0.500032 0.500169 0.999953 V\n0.999827 0.000064 0.999908 V\n0.999859 0.999777 0.500146 V\n0.564980 0.065163 0.815074 P\n0.065120 0.565009 0.315045 P\n0.434847 0.935024 0.184897 P\n0.934982 0.434871 0.684868 P\n0.602980 0.103090 0.132038 O\n0.103146 0.602843 0.632094 O\n0.617858 0.118111 0.647014 O\n0.118015 0.618038 0.146953 O\n0.381948 0.882182 0.352963 O\n0.882084 0.382127 0.852904 O\n0.396944 0.897040 0.867956 O\n0.897094 0.396813 0.368009 O\n0.396308 0.340403 0.868382 O\n0.896265 0.840230 0.368388 O\n0.840275 0.896194 0.868288 O\n0.340349 0.396303 0.368358 O\n0.603785 0.659675 0.131711 O\n0.103738 0.159511 0.631713 O\n0.159559 0.103670 0.131615 O\n0.659622 0.603781 0.631686 O\n",
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{
"id": "mp-755133",
"created_at": "2022-09-04T14:48:25.128425Z",
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{
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"structure_string": "W1 N2\n1.0\n1.465430 -2.538199 0.000000\n1.465430 2.538199 0.000000\n0.000000 0.000000 3.919142\nW N\n1 2\ndirect\n0.666667 0.333333 0.500000 W\n0.000000 0.000000 0.818749 N\n0.000000 0.000000 0.181251 N\n",
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{
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}