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{
"id": "jvasp-104716",
"created_at": "2022-09-04T14:37:00.082548Z",
"updated_at": "2022-09-04T14:37:00.082572Z",
"structure_string": "Mn1 Al1 Fe1 Co1\n1.0\n3.470272 -0.000000 2.003562\n1.156757 3.271804 2.003562\n-0.000000 -0.000000 4.007125\nMn Al Fe Co\n1 1 1 1\ndirect\n0.500000 0.499999 0.499999 Mn\n0.000000 0.000000 0.000000 Al\n0.750000 0.749999 0.749998 Fe\n0.250000 0.250000 0.249999 Co\n",
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{
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"structure_string": "Mn1 Al1 Cu1 Pd1\n1.0\n3.704613 -0.000000 2.138859\n1.234871 3.492743 2.138859\n-0.000000 -0.000000 4.277718\nMn Al Cu Pd\n1 1 1 1\ndirect\n0.500000 0.500000 0.500001 Mn\n0.000000 0.000000 0.000000 Al\n0.749999 0.749999 0.750001 Cu\n0.250000 0.250000 0.250000 Pd\n",
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{
"id": "jvasp-113013",
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"structure_string": "Mn2 Ag4 Sn2 Se8\n1.0\n7.048286 -0.000000 0.000000\n0.000000 7.450366 0.000000\n-0.000000 0.000000 8.299282\nMn Ag Sn Se\n2 4 2 8\ndirect\n0.497371 0.339964 -0.000000 Mn\n-0.002629 0.660037 0.500000 Mn\n0.520637 0.820768 0.253165 Ag\n0.020637 0.179233 0.246835 Ag\n0.020637 0.179233 0.753165 Ag\n0.520637 0.820768 0.746834 Ag\n0.001864 0.663188 -0.000000 Sn\n0.501864 0.336812 0.500000 Sn\n0.853775 0.343805 -0.000000 Se\n0.353775 0.656196 0.500000 Se\n0.892963 0.839286 0.256935 Se\n0.392962 0.160714 0.243064 Se\n0.392962 0.160714 0.756935 Se\n0.892963 0.839286 0.743064 Se\n0.372292 0.652687 -0.000000 Se\n0.872292 0.347313 0.500000 Se\n",
"nsites": 16,
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"density_atomic": 0.036712869853164486,
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"formula_full": "Mn2 Ag4 Sn2 Se8",
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"spacegroup": 31
},
{
"id": "jvasp-97925",
"created_at": "2022-09-04T14:38:12.064087Z",
"updated_at": "2022-09-04T14:38:12.064110Z",
"structure_string": "Mn2 Ag8 Sb4 S12\n1.0\n6.666200 0.000000 -0.273105\n0.000000 7.980418 0.000000\n0.061037 0.000000 10.563819\nMn Ag Sb S\n2 8 4 12\ndirect\n0.000000 0.500000 0.500000 Mn\n0.500000 0.000000 0.000000 Mn\n0.737698 0.466626 0.974230 Ag\n0.427841 0.807156 0.676273 Ag\n0.072160 0.307156 0.823727 Ag\n0.572160 0.192845 0.323727 Ag\n0.927840 0.692845 0.176274 Ag\n0.237698 0.033374 0.474229 Ag\n0.262302 0.533374 0.025771 Ag\n0.762302 0.966626 0.525771 Ag\n0.532074 0.357097 0.691096 Sb\n0.032074 0.142903 0.191095 Sb\n0.467926 0.642903 0.308905 Sb\n0.967926 0.857097 0.808905 Sb\n0.848133 0.241051 0.606671 S\n0.348132 0.258950 0.106671 S\n0.151868 0.758950 0.393330 S\n0.329018 0.329048 0.484939 S\n0.170982 0.829048 0.015062 S\n0.670983 0.670952 0.515062 S\n0.829018 0.170952 0.984939 S\n0.124470 0.596514 0.719034 S\n0.375531 0.096514 0.780966 S\n0.875531 0.403486 0.280966 S\n0.651868 0.741051 0.893330 S\n0.624469 0.903486 0.219034 S\n",
"nsites": 26,
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"elements": [
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],
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"volume": 562.1182965764125,
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"formula_full": "Mn2 Ag8 Sb4 S12",
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"formula_anonymous": "AB2C4D6",
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},
{
"id": "jvasp-35633",
"created_at": "2022-09-04T14:37:41.278540Z",
"updated_at": "2022-09-04T14:37:41.278562Z",
"structure_string": "Mn1 Ag2 Ge1 Te4\n1.0\n6.227793 -0.000000 -0.000000\n-0.000000 6.227793 -0.000000\n-3.113896 -3.113896 6.452615\nMn Ag Ge Te\n1 2 1 4\ndirect\n0.000000 0.000000 0.000000 Mn\n0.249999 0.749999 0.500000 Ag\n0.749999 0.249999 0.500000 Ag\n0.500000 0.500000 0.000000 Ge\n0.366789 0.366789 0.240566 Te\n0.873776 0.873776 0.240566 Te\n0.126222 0.633210 0.759433 Te\n0.633210 0.126222 0.759433 Te\n",
"nsites": 8,
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"density_atomic": 0.03196582338398918,
"volume": 250.26729028375303,
"volume_molar": 18.839310621406764,
"formula_full": "Mn1 Ag2 Ge1 Te4",
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"formula_anonymous": "ABC2D4",
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"spacegroup": 121
},
{
"id": "jvasp-41267",
"created_at": "2022-09-04T14:37:46.019877Z",
"updated_at": "2022-09-04T14:37:46.019899Z",
"structure_string": "Mg4 Zn2 B4 Ir10\n1.0\n9.477088 -0.000000 0.000000\n-0.000000 9.477088 0.000000\n-0.000000 -0.000000 2.946166\nMg Zn B Ir\n4 2 4 10\ndirect\n0.676606 0.176606 0.000000 Mg\n0.323394 0.823394 0.000000 Mg\n0.176606 0.323394 0.000000 Mg\n0.823394 0.676606 0.000000 Mg\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.000000 Zn\n0.372621 0.127380 0.000000 B\n0.627380 0.872621 0.000000 B\n0.872621 0.372621 0.000000 B\n0.127380 0.627380 0.000000 B\n0.000000 0.500000 0.500001 Ir\n0.784692 0.929338 0.500001 Ir\n0.215308 0.070663 0.500001 Ir\n0.284692 0.570663 0.500001 Ir\n0.715308 0.429337 0.500001 Ir\n0.570663 0.715308 0.500001 Ir\n0.429337 0.284692 0.500001 Ir\n0.929338 0.215308 0.500001 Ir\n0.070663 0.784692 0.500001 Ir\n0.500000 0.000000 0.500001 Ir\n",
"nsites": 20,
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],
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"density_atomic": 0.07558279639111531,
"volume": 264.6104795661011,
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"formula_full": "Mg4 Zn2 B4 Ir10",
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"formula_anonymous": "AB2C2D5",
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"spacegroup": 127
},
{
"id": "jvasp-9528",
"created_at": "2022-09-04T14:37:19.917149Z",
"updated_at": "2022-09-04T14:37:19.917172Z",
"structure_string": "Mg2 V2 S2 F10\n1.0\n5.483254 0.071706 -0.020366\n-1.001423 6.048677 0.140537\n-1.598826 -2.124742 6.795691\nMg V S F\n2 2 2 10\ndirect\n0.390946 0.589800 0.681264 Mg\n0.632302 0.464970 0.236575 Mg\n0.513202 0.954169 0.446009 V\n0.960614 0.370855 0.933435 V\n0.922459 0.069744 0.716088 S\n0.102274 0.006675 0.336458 S\n0.271905 0.346194 0.091048 F\n0.574571 0.640702 0.480817 F\n0.972170 0.634048 0.216633 F\n0.181591 0.317476 0.462960 F\n0.629016 0.235337 0.402690 F\n0.747757 0.229586 0.064278 F\n0.392562 0.907615 0.669802 F\n0.148869 0.589072 0.838170 F\n0.528241 0.789244 0.204300 F\n0.661742 0.487519 0.833226 F\n",
"nsites": 16,
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],
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"volume": 227.25773627758488,
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"formula_full": "Mg2 V2 S2 F10",
"formula_reduced": "MgVSF5",
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},
{
"id": "jvasp-59825",
"created_at": "2022-09-04T14:37:27.705896Z",
"updated_at": "2022-09-04T14:37:27.705917Z",
"structure_string": "Mg4 V4 P8 O28\n1.0\n0.000000 7.052286 -0.006834\n8.465844 0.000000 0.000000\n0.000000 -3.612573 -8.333942\nMg V P O\n4 4 8 28\ndirect\n0.696067 0.942614 0.817366 Mg\n0.303934 0.442614 0.682633 Mg\n0.696067 0.557385 0.317366 Mg\n0.303934 0.057385 0.182633 Mg\n0.235365 0.074409 0.607479 V\n0.764636 0.925591 0.392520 V\n0.764636 0.574409 0.892520 V\n0.235365 0.425591 0.107479 V\n0.938322 0.268651 0.755170 P\n0.469981 0.721814 0.533292 P\n0.938322 0.231349 0.255170 P\n0.469981 0.778186 0.033292 P\n0.061679 0.768650 0.744829 P\n0.530020 0.221814 0.966707 P\n0.061679 0.731349 0.244829 P\n0.530019 0.278186 0.466707 P\n0.880753 0.112040 0.804361 O\n0.119121 0.237021 0.200906 O\n0.516611 0.910242 0.158319 O\n0.377175 0.224748 0.049004 O\n0.622826 0.775251 0.950995 O\n0.483389 0.410242 0.341680 O\n0.516611 0.589757 0.658319 O\n0.880753 0.387960 0.304361 O\n0.880879 0.737020 0.299093 O\n0.546794 0.115250 0.398859 O\n0.026611 0.599282 0.120758 O\n0.453207 0.884750 0.601140 O\n0.749788 0.331992 0.596233 O\n0.973389 0.099283 0.379241 O\n0.880879 0.762979 0.799093 O\n0.973389 0.400717 0.879241 O\n0.026611 0.900717 0.620758 O\n0.377175 0.275252 0.549004 O\n0.483390 0.089758 0.841680 O\n0.453207 0.615250 0.101140 O\n0.622826 0.724748 0.450996 O\n0.250213 0.831992 0.903766 O\n0.546794 0.384750 0.898859 O\n0.119248 0.887960 0.195639 O\n0.119248 0.612040 0.695639 O\n0.749788 0.168007 0.096233 O\n0.119122 0.262979 0.700906 O\n0.250213 0.668007 0.403766 O\n",
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{
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"created_at": "2022-09-04T14:38:52.437291Z",
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"structure_string": "Mg2 V2 Ga2 S8\n1.0\n6.297859 0.000732 3.609795\n1.961676 5.909776 3.875307\n-0.020365 0.030892 7.334226\nMg V Ga S\n2 2 2 8\ndirect\n0.866608 0.883376 0.883410 Mg\n0.118145 0.131871 0.131826 Mg\n0.497564 0.523690 0.981201 V\n0.497564 0.981195 0.523692 V\n0.507292 0.490661 0.490666 Ga\n0.011390 0.490646 0.490644 Ga\n0.754137 0.737123 0.737136 S\n0.268107 0.242506 0.721274 S\n0.268103 0.721297 0.242484 S\n0.711528 0.259557 0.259568 S\n0.729302 0.291064 0.750345 S\n0.271614 0.737134 0.737131 S\n0.269363 0.259553 0.259547 S\n0.729298 0.750320 0.291085 S\n",
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"volume": 272.86074625684097,
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"formula_full": "Mg2 V2 Ga2 S8",
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{
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"created_at": "2022-09-04T14:36:10.660422Z",
"updated_at": "2022-09-04T14:36:10.660439Z",
"structure_string": "Mg3 V6 Fe4 O24\n1.0\n6.325012 -0.114201 -1.706893\n-2.380235 7.226612 -2.172153\n0.021176 -0.127235 9.662978\nMg V Fe O\n3 6 4 24\ndirect\n0.000000 0.500000 0.500000 Mg\n0.276525 0.291575 0.796954 Mg\n0.723475 0.708425 0.203047 Mg\n0.784319 0.343741 0.734671 V\n0.600789 0.254104 0.130181 V\n0.118287 0.105486 0.337838 V\n0.399211 0.745897 0.869820 V\n0.881713 0.894514 0.662163 V\n0.215681 0.656260 0.265330 V\n0.955881 0.803550 0.987789 Fe\n0.376704 0.962416 0.601435 Fe\n0.623296 0.037584 0.398566 Fe\n0.044118 0.196450 0.012212 Fe\n0.874319 0.983817 0.355719 O\n0.766112 0.188326 0.027746 O\n0.233888 0.811674 0.972255 O\n0.009496 0.718753 0.154100 O\n0.990504 0.281247 0.845901 O\n0.838505 0.669909 0.577831 O\n0.435734 0.875817 0.758631 O\n0.161495 0.330092 0.422170 O\n0.254184 0.516662 0.742214 O\n0.745816 0.483339 0.257787 O\n0.793176 0.290681 0.543917 O\n0.206823 0.709319 0.456084 O\n0.651705 0.959209 0.569821 O\n0.348294 0.040792 0.430180 O\n0.657887 0.763103 0.004568 O\n0.342113 0.236897 0.995433 O\n0.477322 0.776918 0.266406 O\n0.522677 0.223083 0.733595 O\n0.125681 0.016183 0.644282 O\n0.081087 0.056186 0.139475 O\n0.918913 0.943815 0.860526 O\n0.564266 0.124183 0.241370 O\n0.172010 0.428365 0.172154 O\n0.827990 0.571635 0.827847 O\n",
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"formula_full": "Mg3 V6 Fe4 O24",
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},
{
"id": "jvasp-111855",
"created_at": "2022-09-04T14:38:41.089923Z",
"updated_at": "2022-09-04T14:38:41.089949Z",
"structure_string": "Mg2 V1 Cr3 S8\n1.0\n6.244631 -0.002794 3.593056\n2.075941 5.889892 3.591726\n-0.005420 -0.002918 7.204095\nMg V Cr S\n2 1 3 8\ndirect\n0.875585 0.875588 0.875592 Mg\n0.124414 0.124413 0.124411 Mg\n0.500000 0.500000 0.500000 V\n0.500000 0.499999 1.000001 Cr\n0.000001 0.499999 0.500001 Cr\n0.500001 0.999999 0.500002 Cr\n0.737420 0.737449 0.737471 S\n0.261283 0.261318 0.712963 S\n0.261268 0.712961 0.261322 S\n0.712961 0.261265 0.261285 S\n0.738733 0.287039 0.738679 S\n0.287038 0.738734 0.738717 S\n0.262581 0.262548 0.262533 S\n0.738719 0.738681 0.287039 S\n",
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"volume": 265.16829443280386,
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"formula_full": "Mg2 V1 Cr3 S8",
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},
{
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"created_at": "2022-09-04T14:37:20.207882Z",
"updated_at": "2022-09-04T14:37:20.207912Z",
"structure_string": "Mg4 V2 Bi2 O12\n1.0\n5.497783 -0.000000 -0.000000\n-0.000000 6.697579 -3.028040\n0.000000 -0.009086 7.350273\nMg V Bi O\n4 2 2 12\ndirect\n0.750000 0.104102 0.279705 Mg\n0.249999 0.895897 0.720295 Mg\n0.750000 0.720294 0.895896 Mg\n0.249999 0.279704 0.104102 Mg\n0.750000 0.197440 0.802560 V\n0.249999 0.802560 0.197440 V\n0.249999 0.405812 0.594188 Bi\n0.750000 0.594188 0.405812 Bi\n0.000000 0.670770 0.670770 O\n0.500000 0.329229 0.329229 O\n0.509421 0.884582 0.115419 O\n0.009423 0.115419 0.884581 O\n0.490577 0.115419 0.884581 O\n0.249999 0.900453 0.452044 O\n0.750000 0.452043 0.900452 O\n0.249999 0.547955 0.099546 O\n0.000000 0.329229 0.329229 O\n0.750000 0.099548 0.547956 O\n0.990578 0.884582 0.115419 O\n0.500000 0.670770 0.670770 O\n",
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],
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}
]
}