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{
"id": "mp-1220239",
"created_at": "2022-09-04T14:46:27.817847Z",
"structure_string": "Rb3 Ag1 Ge4 Se10 O2\n1.0\n-9.150089 0.104862 0.057028\n-0.103724 9.128763 -0.083456\n-4.576891 4.684752 -7.945510\nRb Ag Ge Se O\n3 1 4 10 2\ndirect\n0.295111 0.654032 0.223267 Rb\n0.828960 0.724989 0.791808 Rb\n0.376885 0.512828 0.780115 Rb\n0.013810 0.979647 0.014061 Ag\n0.948970 0.168041 0.308952 Ge\n0.735803 0.532021 0.319145 Ge\n0.499066 0.065309 0.659364 Ge\n0.855374 0.274829 0.650822 Ge\n0.154781 0.091294 0.134552 Se\n0.709639 0.797504 0.150632 Se\n0.248135 0.858133 0.841518 Se\n0.951399 0.309262 0.825592 Se\n0.059038 0.176899 0.482084 Se\n0.460758 0.343119 0.496614 Se\n0.683016 0.966828 0.479775 Se\n0.842660 0.562049 0.485074 Se\n0.934593 0.449927 0.132078 Se\n0.585980 0.082450 0.843285 Se\n0.104846 0.496200 0.680358 O\n0.478978 0.654438 0.924305 O\n",
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{
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},
{
"id": "mp-1246887",
"created_at": "2022-09-04T14:42:47.989340Z",
"structure_string": "Cd14 Si2 N12\n1.0\n5.122438 2.976034 -0.000001\n-5.122438 2.976034 0.000001\n0.000000 0.000000 13.531874\nCd Si N\n14 2 12\ndirect\n0.747489 0.747489 0.965550 Cd\n0.252511 0.252511 0.465550 Cd\n0.252511 0.252511 0.034450 Cd\n0.747489 0.747489 0.534450 Cd\n0.980282 0.417910 0.621068 Cd\n0.019718 0.582090 0.121068 Cd\n0.582090 0.019718 0.378932 Cd\n0.417910 0.980282 0.878932 Cd\n0.019718 0.582090 0.378932 Cd\n0.980282 0.417910 0.878932 Cd\n0.417910 0.980282 0.621068 Cd\n0.582090 0.019718 0.121068 Cd\n0.407834 0.407834 0.750000 Cd\n0.592166 0.592166 0.250000 Cd\n0.892817 0.892817 0.750000 Si\n0.107183 0.107183 0.250000 Si\n0.851160 0.573442 0.750000 N\n0.148840 0.426558 0.250000 N\n0.426558 0.148840 0.250000 N\n0.573442 0.851160 0.750000 N\n0.669086 0.330914 0.500000 N\n0.330914 0.669086 0.000000 N\n0.330914 0.669086 0.500000 N\n0.669086 0.330914 0.000000 N\n0.068775 0.068776 0.642861 N\n0.931224 0.931225 0.142861 N\n0.931225 0.931224 0.357139 N\n0.068776 0.068775 0.857139 N\n",
"nsites": 28,
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"volume": 412.574650125229,
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"formula_full": "Cd14 Si2 N12",
"formula_reduced": "Cd7SiN6",
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{
"id": "mp-768197",
"created_at": "2022-09-04T14:42:29.652515Z",
"structure_string": "Li5 Sb1 S4\n1.0\n-1.957610 3.571710 6.738648\n1.957610 -3.571710 6.738648\n1.957610 3.571710 -6.738648\nLi Sb S\n5 1 4\ndirect\n0.393561 0.176425 0.217136 Li\n0.959289 0.176425 0.782864 Li\n0.040711 0.823575 0.217136 Li\n0.606439 0.823575 0.782864 Li\n0.500000 0.500000 0.000000 Li\n0.000000 0.500000 0.500000 Sb\n0.729554 0.000000 0.729554 S\n0.210396 0.710396 0.500000 S\n0.789604 0.289604 0.500000 S\n0.270446 0.000000 0.270446 S\n",
"nsites": 10,
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"formula_full": "Li5 Sb1 S4",
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"formula_anonymous": "AB4C5",
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"updated_at": "2021-11-28T01:35:47.043000Z",
"spacegroup": 71
},
{
"id": "mp-557574",
"created_at": "2022-09-04T14:39:29.279605Z",
"structure_string": "Cu4 Hg2 Ge2 S8\n1.0\n6.365430 0.000000 0.000000\n0.000000 6.584500 0.000000\n0.000000 0.000000 7.799343\nCu Hg Ge S\n4 2 2 8\ndirect\n0.022209 0.167462 0.250564 Cu\n0.522209 0.832538 0.249436 Cu\n0.022209 0.167462 0.749436 Cu\n0.522209 0.832538 0.750564 Cu\n0.526115 0.349859 0.000000 Hg\n0.026115 0.650141 0.500000 Hg\n0.017951 0.673644 0.000000 Ge\n0.517951 0.326356 0.500000 Ge\n0.383748 0.158083 0.729763 S\n0.883748 0.841917 0.229763 S\n0.383748 0.158083 0.270237 S\n0.931472 0.336829 0.000000 S\n0.431472 0.663171 0.500000 S\n0.874546 0.285927 0.500000 S\n0.374546 0.714073 0.000000 S\n0.883748 0.841917 0.770237 S\n",
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"elements": [
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"density": 5.370106443893239,
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"volume": 326.89521895779046,
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"formula_full": "Cu4 Hg2 Ge2 S8",
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"formula_anonymous": "ABC2D4",
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"spacegroup": 31
},
{
"id": "mp-1190504",
"created_at": "2022-09-04T14:46:31.713608Z",
"structure_string": "Rb2 Sm4 Ag6 Te10\n1.0\n4.633888 0.000000 0.000000\n-2.316944 8.157943 0.000000\n0.000000 0.000000 18.710287\nRb Sm Ag Te\n2 4 6 10\ndirect\n0.441830 0.883660 0.250000 Rb\n0.558170 0.116340 0.750000 Rb\n0.309731 0.619463 0.905977 Sm\n0.690269 0.380537 0.094023 Sm\n0.309731 0.619463 0.594023 Sm\n0.690269 0.380537 0.405977 Sm\n0.163985 0.327970 0.250000 Ag\n0.836015 0.672030 0.750000 Ag\n0.913742 0.827484 0.471169 Ag\n0.086258 0.172516 0.528831 Ag\n0.913742 0.827484 0.028831 Ag\n0.086258 0.172516 0.971169 Ag\n0.939893 0.879787 0.877720 Te\n0.060107 0.120213 0.122280 Te\n0.939893 0.879787 0.622280 Te\n0.060107 0.120213 0.377720 Te\n0.673791 0.347582 0.926735 Te\n0.326209 0.652418 0.073265 Te\n0.673791 0.347582 0.573265 Te\n0.326209 0.652418 0.426735 Te\n0.760472 0.520944 0.250000 Te\n0.239528 0.479056 0.750000 Te\n",
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],
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"volume": 707.3048704246321,
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{
"id": "mp-1192952",
"created_at": "2022-09-04T14:44:25.292363Z",
"structure_string": "La2 Be2 Cu24\n1.0\n0.000000 5.723331 5.723331\n5.723331 0.000000 5.723331\n5.723331 5.723331 0.000000\nLa Be Cu\n2 2 24\ndirect\n0.250000 0.250000 0.250000 La\n0.750000 0.750000 0.750000 La\n0.500000 0.500000 0.500000 Be\n0.000000 0.000000 0.000000 Be\n0.791694 0.561212 0.208306 Cu\n0.208306 0.438788 0.791694 Cu\n0.561212 0.791694 0.438788 Cu\n0.438788 0.208306 0.561212 Cu\n0.291694 0.938788 0.708306 Cu\n0.708306 0.061212 0.291694 Cu\n0.938788 0.291694 0.061212 Cu\n0.061212 0.708306 0.938788 Cu\n0.208306 0.791694 0.561212 Cu\n0.791694 0.208306 0.438788 Cu\n0.438788 0.561212 0.791694 Cu\n0.561212 0.438788 0.208306 Cu\n0.708306 0.291694 0.938788 Cu\n0.291694 0.708306 0.061212 Cu\n0.061212 0.938788 0.291694 Cu\n0.938788 0.061212 0.708306 Cu\n0.561212 0.208306 0.791694 Cu\n0.438788 0.791694 0.208306 Cu\n0.791694 0.438788 0.561212 Cu\n0.208306 0.561212 0.438788 Cu\n0.938788 0.708306 0.291694 Cu\n0.061212 0.291694 0.708306 Cu\n0.291694 0.061212 0.938788 Cu\n0.708306 0.938788 0.061212 Cu\n",
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{
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{
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{
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{
"id": "mp-1179750",
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"structure_string": "Rb1 Co1 Cu3 Se4\n1.0\n6.110628 0.000000 0.000000\n0.000000 6.110628 0.000000\n0.000000 0.000000 6.110628\nRb Co Cu Se\n1 1 3 4\ndirect\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Co\n0.000000 0.500000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.000000 0.000000 Cu\n0.212260 0.212260 0.212260 Se\n0.787740 0.787740 0.212260 Se\n0.212260 0.787740 0.787740 Se\n0.787740 0.212260 0.787740 Se\n",
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"formula_full": "Rb1 Co1 Cu3 Se4",
"formula_reduced": "RbCoCu3Se4",
"formula_anonymous": "ABC3D4",
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"updated_at": "2021-11-28T01:37:17.170000Z",
"spacegroup": 215
},
{
"id": "mp-973736",
"created_at": "2022-09-04T14:39:48.944204Z",
"structure_string": "Ge1 As3\n1.0\n-1.907070 1.907070 5.560902\n1.907070 -1.907070 5.560902\n1.907070 1.907070 -5.560902\nGe As\n1 3\ndirect\n0.000000 0.000000 0.000000 Ge\n0.750000 0.250000 0.500000 As\n0.250000 0.750000 0.500000 As\n0.500000 0.500000 0.000000 As\n",
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"elements": [
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],
"chemical_system": "As-Ge",
"density": 6.104619076438533,
"density_atomic": 0.04944489850493135,
"volume": 80.89813349704951,
"volume_molar": 12.17949867851258,
"formula_full": "Ge1 As3",
"formula_reduced": "GeAs3",
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"updated_at": "2021-11-28T01:34:27.956000Z",
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}
]
}