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{
"id": "mp-23583",
"created_at": "2022-09-04T14:41:51.288941Z",
"structure_string": "Cs8 Bi2 Sb2 Cl24\n1.0\n-5.422169 5.422169 10.889924\n5.422169 -5.422169 10.889924\n5.422169 5.422169 -10.889924\nCs Bi Sb Cl\n8 2 2 24\ndirect\n0.375000 0.844638 0.969638 Cs\n0.594638 0.625000 0.469638 Cs\n0.875000 0.844638 0.469638 Cs\n0.594638 0.125000 0.969638 Cs\n0.875000 0.405362 0.030362 Cs\n0.155362 0.125000 0.530362 Cs\n0.375000 0.405362 0.530362 Cs\n0.155362 0.625000 0.030362 Cs\n0.500000 0.500000 0.000000 Bi\n0.250000 0.750000 0.500000 Bi\n0.000000 0.000000 0.000000 Sb\n0.750000 0.250000 0.500000 Sb\n0.747409 0.495492 0.251917 Cl\n0.504508 0.252591 0.748083 Cl\n0.374639 0.374639 0.000000 Cl\n0.124639 0.624639 0.500000 Cl\n0.375361 0.875361 0.500000 Cl\n0.625361 0.625361 0.000000 Cl\n0.111073 0.111073 0.000000 Cl\n0.861073 0.361073 0.500000 Cl\n0.638927 0.138927 0.500000 Cl\n0.888927 0.888927 0.000000 Cl\n0.223945 0.000499 0.223446 Cl\n0.750499 0.027053 0.276554 Cl\n0.504508 0.756424 0.251917 Cl\n0.526055 0.249501 0.276554 Cl\n0.972947 0.249501 0.723446 Cl\n0.999501 0.222947 0.223446 Cl\n0.999501 0.776055 0.776554 Cl\n0.777053 0.000499 0.776554 Cl\n0.750499 0.473945 0.723446 Cl\n0.245492 0.493576 0.248083 Cl\n0.245492 0.997409 0.751917 Cl\n0.002591 0.754508 0.248083 Cl\n0.506424 0.754508 0.751917 Cl\n0.243576 0.495492 0.748083 Cl\n",
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"elements": [
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"spacegroup": 141
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{
"id": "mp-865603",
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"structure_string": "Y2 Ir1 Rh1\n1.0\n0.000000 3.440523 3.440523\n3.440523 0.000000 3.440523\n3.440523 3.440523 0.000000\nY Ir Rh\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Y\n0.250000 0.250000 0.250000 Y\n0.500000 0.500000 0.500000 Ir\n0.000000 0.000000 0.000000 Rh\n",
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"formula_full": "Y2 Ir1 Rh1",
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"total_magnetization": 6.42e-05,
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"updated_at": "2021-11-28T01:35:32.105000Z",
"spacegroup": 225
},
{
"id": "mp-1174692",
"created_at": "2022-09-04T14:41:51.314340Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n4.959628 0.000000 0.000000\n-1.628164 5.644594 0.000000\n-0.970172 -0.332324 8.868321\nLi Mn Co O\n8 2 4 14\ndirect\n0.436135 0.365200 0.839010 Li\n0.708982 0.926377 0.435586 Li\n0.866338 0.218345 0.707546 Li\n0.147187 0.780633 0.298279 Li\n0.290311 0.067089 0.570037 Li\n0.566625 0.641068 0.144786 Li\n0.995855 0.503813 0.998141 Li\n0.292858 0.575755 0.572149 Li\n0.996587 0.996690 0.001009 Mn\n0.139632 0.283920 0.286281 Mn\n0.564119 0.140329 0.144192 Co\n0.854578 0.713249 0.703182 Co\n0.429708 0.857074 0.854877 Co\n0.720038 0.435038 0.435565 Co\n0.271396 0.294988 0.082407 O\n0.594587 0.892139 0.654073 O\n0.703595 0.155488 0.945541 O\n0.987176 0.744000 0.500226 O\n0.148267 0.027907 0.808783 O\n0.419917 0.572887 0.347185 O\n0.852011 0.433155 0.213783 O\n0.596497 0.399376 0.637824 O\n0.854751 0.984928 0.202067 O\n0.998393 0.254093 0.476188 O\n0.278390 0.847099 0.075802 O\n0.419160 0.117354 0.339525 O\n0.716354 0.704618 0.931934 O\n0.150554 0.567388 0.794019 O\n",
"nsites": 28,
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"elements": [
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"Co",
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],
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"density_atomic": 0.11278070727161493,
"volume": 248.26941307050257,
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"formula_full": "Li8 Mn2 Co4 O14",
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"spacegroup": 1
},
{
"id": "mp-999390",
"created_at": "2022-09-04T14:41:51.322080Z",
"structure_string": "Nb1 Cr3\n1.0\n0.000000 2.982147 2.982147\n2.982147 0.000000 2.982147\n2.982147 2.982147 0.000000\nNb Cr\n1 3\ndirect\n0.000000 0.000000 0.000000 Nb\n0.750000 0.750000 0.750000 Cr\n0.250000 0.250000 0.250000 Cr\n0.500000 0.500000 0.500000 Cr\n",
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"density": 7.791975408957357,
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"volume": 53.04166375240258,
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"formula_full": "Nb1 Cr3",
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"formula_anonymous": "AB3",
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"updated_at": "2021-11-28T01:35:32.390000Z",
"spacegroup": 225
},
{
"id": "mp-1220478",
"created_at": "2022-09-04T14:41:51.327800Z",
"structure_string": "Nb4 V4 Si4\n1.0\n2.494362 -4.228440 0.000000\n2.494362 4.228440 0.000000\n0.000000 0.000000 8.305706\nNb V Si\n4 4 4\ndirect\n0.335842 0.664158 0.186035 Nb\n0.663964 0.336036 0.307832 Nb\n0.663964 0.336036 0.692168 Nb\n0.335842 0.664158 0.813965 Nb\n0.839681 0.160319 0.000000 V\n0.167304 0.346297 0.500000 V\n0.653703 0.832696 0.500000 V\n0.167340 0.832660 0.500000 V\n0.994397 0.005603 0.254496 Si\n0.994397 0.005603 0.745504 Si\n0.834980 0.651354 0.000000 Si\n0.348646 0.165020 0.000000 Si\n",
"nsites": 12,
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"elements": [
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"V",
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],
"chemical_system": "Nb-Si-V",
"density": 6.518131017289334,
"density_atomic": 0.06849124205864515,
"volume": 175.20488224939888,
"volume_molar": 8.792570522875879,
"formula_full": "Nb4 V4 Si4",
"formula_reduced": "NbVSi",
"formula_anonymous": "ABC",
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"updated_at": "2021-11-28T01:35:27.125000Z",
"spacegroup": 38
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{
"id": "mp-17808",
"created_at": "2022-09-04T14:41:51.333668Z",
"structure_string": "Nb4 Zn8 O18\n1.0\n2.630193 -4.555628 0.000000\n2.630193 4.555628 0.000000\n0.000000 0.000000 14.382393\nNb Zn O\n4 8 18\ndirect\n0.000000 0.000000 0.360929 Nb\n0.000000 0.000000 0.139071 Nb\n0.000000 0.000000 0.639071 Nb\n0.000000 0.000000 0.860929 Nb\n0.333333 0.666667 0.014235 Zn\n0.666667 0.333333 0.485765 Zn\n0.666667 0.333333 0.985765 Zn\n0.333333 0.666667 0.514235 Zn\n0.333333 0.666667 0.794595 Zn\n0.666667 0.333333 0.705405 Zn\n0.666667 0.333333 0.205405 Zn\n0.333333 0.666667 0.294595 Zn\n0.285882 0.285882 0.750000 O\n0.000000 0.714118 0.750000 O\n0.714118 0.000000 0.750000 O\n0.714118 0.714118 0.250000 O\n0.000000 0.285882 0.250000 O\n0.285882 0.000000 0.250000 O\n0.680086 0.660399 0.583517 O\n0.339601 0.019687 0.583517 O\n0.980313 0.319914 0.583517 O\n0.019687 0.339601 0.916483 O\n0.319914 0.980313 0.916483 O\n0.660399 0.680086 0.916483 O\n0.339601 0.319914 0.083517 O\n0.680086 0.019687 0.083517 O\n0.980313 0.660399 0.083517 O\n0.019687 0.680086 0.416483 O\n0.660399 0.980313 0.416483 O\n0.319914 0.339601 0.416483 O\n",
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"density": 5.698955095807652,
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"volume": 344.6648687173005,
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"formula_full": "Nb4 Zn8 O18",
"formula_reduced": "Nb2Zn4O9",
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"spacegroup": 165
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{
"id": "mp-1183025",
"created_at": "2022-09-04T14:41:51.334147Z",
"structure_string": "Ag6 As2 S6\n1.0\n4.276330 2.928974 1.183854\n-3.396646 3.937483 3.773598\n-0.268501 -7.361384 7.243969\nAg As S\n6 2 6\ndirect\n0.628879 0.754542 0.159864 Ag\n0.469015 0.254542 0.840136 Ag\n0.198779 0.458342 0.583568 Ag\n0.124960 0.983742 0.664540 Ag\n0.460419 0.483742 0.335460 Ag\n0.615211 0.958342 0.416432 Ag\n0.131758 0.508806 0.106180 As\n0.025578 0.008806 0.893820 As\n0.760409 0.327523 0.536920 S\n0.223489 0.827523 0.463080 S\n0.960883 0.977452 0.296492 S\n0.277974 0.707793 0.946921 S\n0.331054 0.207793 0.053079 S\n0.664392 0.477452 0.703508 S\n",
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"formula_full": "Ag6 As2 S6",
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{
"id": "mp-1222577",
"created_at": "2022-09-04T14:41:51.278588Z",
"structure_string": "Li2 Al2 Ni6 O10\n1.0\n7.313361 2.539642 0.000000\n-7.313361 2.539642 0.000000\n0.000000 1.790667 4.833928\nLi Al Ni O\n2 2 6 10\ndirect\n0.200284 0.799716 0.500000 Li\n0.799716 0.200284 0.500000 Li\n0.701497 0.298503 0.000000 Al\n0.298503 0.701497 0.000000 Al\n0.898205 0.101795 0.000000 Ni\n0.500000 0.500000 0.000000 Ni\n0.101795 0.898205 0.000000 Ni\n0.605526 0.394474 0.500000 Ni\n0.394474 0.605526 0.500000 Ni\n0.000000 0.000000 0.500000 Ni\n0.753333 0.753333 0.256876 O\n0.372186 0.161175 0.237596 O\n0.945011 0.534791 0.217448 O\n0.534791 0.945011 0.217448 O\n0.161175 0.372186 0.237596 O\n0.465209 0.054989 0.782552 O\n0.054989 0.465209 0.782552 O\n0.627814 0.838825 0.762404 O\n0.246667 0.246667 0.743124 O\n0.838825 0.627814 0.762404 O\n",
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{
"id": "mp-849616",
"created_at": "2022-09-04T14:41:51.280568Z",
"structure_string": "Li4 Mn6 B6 O18\n1.0\n6.305696 0.000000 0.000000\n-0.284325 8.262363 0.000000\n-2.992204 -4.008569 7.099389\nLi Mn B O\n4 6 6 18\ndirect\n0.369302 0.303227 0.280223 Li\n0.603841 0.981860 0.691360 Li\n0.078640 0.980052 0.691472 Li\n0.780956 0.720076 0.022423 Li\n0.189690 0.011551 0.371067 Mn\n0.669023 0.011578 0.330065 Mn\n0.015852 0.381869 0.994050 Mn\n0.521046 0.346627 0.006830 Mn\n0.806158 0.607736 0.628030 Mn\n0.326572 0.651321 0.686723 Mn\n0.488839 0.993815 0.986889 B\n0.990625 0.001650 0.989267 B\n0.067998 0.327581 0.666988 B\n0.592785 0.333658 0.667906 B\n0.430568 0.670576 0.341633 B\n0.924231 0.670878 0.343273 B\n0.134782 0.259172 0.795160 O\n0.658650 0.261161 0.789049 O\n0.004231 0.211916 0.480461 O\n0.496402 0.223679 0.475480 O\n0.536859 0.176899 0.122762 O\n0.051407 0.194402 0.081528 O\n0.071864 0.517777 0.742912 O\n0.632344 0.529149 0.748216 O\n0.487833 0.598952 0.467419 O\n0.969317 0.605872 0.471006 O\n0.347950 0.539912 0.152758 O\n0.860597 0.549108 0.150386 O\n0.388810 0.939108 0.794387 O\n0.884102 0.900374 0.791853 O\n0.456348 0.858816 0.408756 O\n0.939657 0.857105 0.403222 O\n0.537512 0.857240 0.036114 O\n0.035235 0.908924 0.090381 O\n",
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{
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