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{
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{
"id": "jvasp-46763",
"created_at": "2022-09-04T14:36:31.509436Z",
"updated_at": "2022-09-04T14:36:31.509462Z",
"structure_string": "Li2 Co3 Sn1 O8\n1.0\n5.760652 -0.042448 -0.030016\n2.843564 5.010095 -0.030016\n2.843564 1.641733 4.733569\nLi Co Sn O\n2 3 1 8\ndirect\n0.120499 0.120499 0.120499 Li\n0.494700 0.494699 0.494699 Li\n0.012831 0.498183 0.498183 Co\n0.498184 0.498183 0.012830 Co\n0.498183 0.012830 0.498183 Co\n0.888263 0.888262 0.888262 Sn\n0.265086 0.265086 0.265086 O\n0.247259 0.712656 0.247258 O\n0.247259 0.247258 0.712657 O\n0.712657 0.247259 0.247258 O\n0.301303 0.736727 0.736728 O\n0.736728 0.736728 0.301302 O\n0.736728 0.301303 0.736728 O\n0.740319 0.740318 0.740318 O\n",
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{
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"created_at": "2022-09-04T14:37:09.570254Z",
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"structure_string": "Mg2 Mn2 Si4 O12\n1.0\n5.244419 0.116516 1.206436\n1.449151 6.608522 0.524786\n0.159013 -0.120432 6.782936\nMg Mn Si O\n2 2 4 12\ndirect\n0.750000 0.240039 0.759962 Mg\n0.250001 0.759961 0.240040 Mg\n0.249998 0.105754 0.894248 Mn\n0.749999 0.894249 0.105754 Mn\n0.230877 0.213803 0.386834 Si\n0.269121 0.613166 0.786198 Si\n0.730877 0.386834 0.213803 Si\n0.769122 0.786198 0.613167 Si\n0.658702 0.968606 0.783219 O\n0.841298 0.216782 0.031395 O\n0.623399 0.617895 0.141800 O\n0.876600 0.858202 0.382107 O\n0.376599 0.382105 0.858201 O\n0.026440 0.622100 0.672804 O\n0.973558 0.377901 0.327197 O\n0.526441 0.672804 0.622102 O\n0.341297 0.031395 0.216783 O\n0.473559 0.327198 0.377900 O\n0.123400 0.141799 0.617895 O\n0.158702 0.783218 0.968607 O\n",
"nsites": 20,
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"elements": [
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],
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"formula_full": "Mg2 Mn2 Si4 O12",
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},
{
"id": "jvasp-51149",
"created_at": "2022-09-04T14:36:22.491177Z",
"updated_at": "2022-09-04T14:36:22.491206Z",
"structure_string": "Sr1 Cr1 Rh2\n1.0\n-0.000000 3.262872 3.262872\n3.262872 -0.000000 3.262872\n3.262872 3.262872 0.000000\nSr Cr Rh\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Cr\n0.750000 0.750000 0.750000 Rh\n0.250000 0.250000 0.250000 Rh\n",
"nsites": 4,
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"elements": [
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],
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"density": 8.25610860219153,
"density_atomic": 0.05757446147036664,
"volume": 69.47524818896977,
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"formula_full": "Sr1 Cr1 Rh2",
"formula_reduced": "SrCrRh2",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-112529",
"created_at": "2022-09-04T14:38:41.150175Z",
"updated_at": "2022-09-04T14:38:41.150197Z",
"structure_string": "Tm1 Fe4 Cu3 O12\n1.0\n5.855166 -0.000000 -2.070114\n-2.927583 5.070723 -2.070114\n-0.000000 -0.000000 6.210342\nTm Fe Cu O\n1 4 3 12\ndirect\n0.000000 0.000000 0.000000 Tm\n0.000000 0.000000 0.500000 Fe\n0.500000 0.000000 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 0.500000 0.500001 Fe\n0.500000 0.000000 0.500000 Cu\n0.000000 0.500000 0.500000 Cu\n0.500000 0.500000 0.000001 Cu\n0.298602 0.823789 0.122391 O\n0.701399 0.176211 0.877610 O\n0.474812 0.298601 0.176211 O\n0.525188 0.701398 0.823790 O\n0.122391 0.298601 0.823789 O\n0.823790 0.122391 0.298602 O\n0.176211 0.474812 0.298602 O\n0.823790 0.525188 0.701399 O\n0.701399 0.823789 0.525189 O\n0.176211 0.877609 0.701399 O\n0.877610 0.701398 0.176212 O\n0.298602 0.176211 0.474812 O\n",
"nsites": 20,
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"elements": [
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],
"chemical_system": "Cu-Fe-O-Tm",
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"density_atomic": 0.10846893581917497,
"volume": 184.3845876144793,
"volume_molar": 5.551949702944734,
"formula_full": "Tm1 Fe4 Cu3 O12",
"formula_reduced": "TmFe4(CuO4)3",
"formula_anonymous": "AB3C4D12",
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{
"id": "jvasp-42694",
"created_at": "2022-09-04T14:37:09.103385Z",
"updated_at": "2022-09-04T14:37:09.103405Z",
"structure_string": "Li4 Cr4 Si4 O16\n1.0\n4.708685 0.000000 0.000000\n0.000000 6.062744 0.000000\n0.000000 0.000000 10.043310\nLi Cr Si O\n4 4 4 16\ndirect\n0.022474 0.006534 0.216246 Li\n0.477527 0.006534 0.716246 Li\n0.522474 0.506534 0.283754 Li\n0.977527 0.506534 0.783754 Li\n-0.000000 0.256527 0.499999 Cr\n0.500000 0.256527 -0.000001 Cr\n0.500000 0.756527 0.000001 Cr\n0.000000 0.756527 0.500001 Cr\n0.921835 0.006528 0.907669 Si\n0.578166 0.006528 0.407669 Si\n0.421835 0.506528 0.592331 Si\n0.078166 0.506528 0.092331 Si\n0.778407 0.232443 0.848820 O\n0.770978 0.506527 0.582395 O\n0.729023 0.506527 0.082395 O\n0.721595 0.232443 0.348820 O\n0.721595 0.780609 0.348823 O\n0.750569 0.006529 0.558380 O\n0.249432 0.506529 0.441620 O\n0.221595 0.280610 0.151177 O\n0.278406 0.732442 0.651180 O\n0.270978 0.006527 0.917605 O\n0.229023 0.006527 0.417605 O\n0.221594 0.732442 0.151180 O\n0.778406 0.780609 0.848823 O\n0.250568 0.506529 0.941620 O\n0.278406 0.280610 0.651177 O\n0.749433 0.006529 0.058380 O\n",
"nsites": 28,
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"O"
],
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"density_atomic": 0.09765900490838235,
"volume": 286.71191178189736,
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"formula_full": "Li4 Cr4 Si4 O16",
"formula_reduced": "LiCrSiO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 62
},
{
"id": "jvasp-34266",
"created_at": "2022-09-04T14:37:15.021873Z",
"updated_at": "2022-09-04T14:37:15.021894Z",
"structure_string": "Al1 P1 O4\n1.0\n3.914208 -0.000000 -2.259523\n-1.304336 3.690492 -2.259523\n0.624008 0.882379 5.601063\nAl P O\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Al\n0.250000 0.750000 0.500000 P\n-0.006853 0.168205 0.336409 O\n0.343262 0.168205 0.336409 O\n0.831796 0.006853 0.663591 O\n0.831795 0.656738 0.663591 O\n",
"nsites": 6,
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"elements": [
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],
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"volume": 96.51728318879341,
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"formula_full": "Al1 P1 O4",
"formula_reduced": "AlPO4",
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},
{
"id": "jvasp-78667",
"created_at": "2022-09-04T14:37:03.159826Z",
"updated_at": "2022-09-04T14:37:03.159849Z",
"structure_string": "Mn1 Sb1 Rh1\n1.0\n3.746260 0.000000 2.162904\n1.248753 3.532009 2.162904\n0.000000 -0.000000 4.325809\nMn Sb Rh\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.250000 0.250000 0.250000 Sb\n0.499999 0.500000 0.499999 Rh\n",
"nsites": 3,
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"elements": [
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],
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"density": 8.11156614987486,
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"volume": 57.23834350281589,
"volume_molar": 11.489912048106293,
"formula_full": "Mn1 Sb1 Rh1",
"formula_reduced": "MnSbRh",
"formula_anonymous": "ABC",
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"spacegroup": 216
},
{
"id": "jvasp-86691",
"created_at": "2022-09-04T14:36:00.911081Z",
"updated_at": "2022-09-04T14:36:00.911113Z",
"structure_string": "Er6 Co2 Si6\n1.0\n4.086121 -0.000000 0.674653\n2.014752 5.174609 0.508782\n0.008243 -0.024464 12.661433\nEr Co Si\n6 2 6\ndirect\n0.747384 0.734068 0.771162 Er\n0.399968 0.280897 0.919164 Er\n0.600030 0.719104 0.080835 Er\n0.475507 0.669372 0.379612 Er\n0.252614 0.265933 0.228838 Er\n0.524491 0.330629 0.620387 Er\n0.752587 0.078409 0.416415 Co\n0.247411 0.921592 0.583584 Co\n0.051375 0.139001 0.758248 Si\n0.139630 0.265050 0.455689 Si\n0.860368 0.734951 0.544310 Si\n0.948623 0.861000 0.241752 Si\n0.882658 0.158859 0.075826 Si\n0.117340 0.841142 0.924173 Si\n",
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"density": 8.001342847826725,
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"volume": 267.7031628495416,
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"formula_full": "Er6 Co2 Si6",
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"spacegroup": 12
},
{
"id": "jvasp-86091",
"created_at": "2022-09-04T14:36:12.321303Z",
"updated_at": "2022-09-04T14:36:12.321337Z",
"structure_string": "Er6 Co2 Si6\n1.0\n4.086054 -0.000000 0.674642\n2.014727 5.174745 0.508726\n0.008188 -0.024594 12.661562\nEr Co Si\n6 2 6\ndirect\n0.747376 0.734088 0.771162 Er\n0.399963 0.280909 0.919166 Er\n0.600038 0.719091 0.080834 Er\n0.475516 0.669359 0.379610 Er\n0.252624 0.265912 0.228838 Er\n0.524484 0.330641 0.620390 Er\n0.752591 0.078406 0.416410 Co\n0.247409 0.921594 0.583590 Co\n0.051364 0.139025 0.758249 Si\n0.139637 0.265040 0.455687 Si\n0.860364 0.734960 0.544313 Si\n0.948636 0.860975 0.241751 Si\n0.882664 0.158844 0.075827 Si\n0.117336 0.841156 0.924173 Si\n",
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{
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"created_at": "2022-09-04T14:35:44.577780Z",
"updated_at": "2022-09-04T14:35:44.577810Z",
"structure_string": "La1 U1 O4\n1.0\n3.845414 0.000000 -0.000000\n0.000000 3.845414 0.000000\n0.000000 0.000000 5.637219\nLa U O\n1 1 4\ndirect\n0.499999 0.499999 0.500000 La\n0.000000 0.000000 0.000000 U\n0.499999 0.000000 0.774518 O\n0.000000 0.499999 0.774518 O\n0.499999 0.000000 0.225482 O\n0.000000 0.499999 0.225482 O\n",
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},
{
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"created_at": "2022-09-04T14:38:53.812248Z",
"updated_at": "2022-09-04T14:38:53.812279Z",
"structure_string": "B1 H1 O2\n1.0\n1.248441 0.720788 4.360960\n-1.248441 0.720788 4.360960\n-0.000000 -1.441576 4.360960\nB H O\n1 1 2\ndirect\n0.004566 0.004566 0.004566 B\n0.517509 0.517509 0.517509 H\n0.395988 0.395988 0.395988 O\n0.595338 0.595338 0.595338 O\n",
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},
{
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"created_at": "2022-09-04T14:37:03.815612Z",
"updated_at": "2022-09-04T14:37:03.815626Z",
"structure_string": "Ge2 P4 O14\n1.0\n4.698623 -0.031301 0.011515\n-1.831059 6.542357 0.005245\n-0.367786 -0.318797 7.803299\nGe P O\n2 4 14\ndirect\n0.499999 0.500000 0.500000 Ge\n0.000000 0.000000 0.000000 Ge\n0.888353 0.254280 0.310476 P\n0.111645 0.745720 0.689524 P\n0.469232 0.858248 0.235783 P\n0.530767 0.141752 0.764217 P\n0.964882 0.236686 0.123160 O\n0.035116 0.763314 0.876840 O\n0.378953 0.667203 0.339554 O\n0.621046 0.332797 0.660446 O\n0.702438 0.405644 0.324007 O\n0.297560 0.594356 0.675994 O\n0.848909 0.709632 0.559231 O\n0.687249 0.032350 0.360014 O\n0.365542 0.165282 0.924291 O\n0.151089 0.290368 0.440770 O\n0.808476 0.072436 0.804424 O\n0.191522 0.927564 0.195576 O\n0.312749 0.967650 0.639987 O\n0.634457 0.834718 0.075710 O\n",
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],
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"formula_full": "Ge2 P4 O14",
"formula_reduced": "GeP2O7",
"formula_anonymous": "AB2C7",
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"spacegroup": 2
}
]
}